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  1. 2025

  2. Phase relations in calcium silicates, Ca2SiO4 and CaSi2O5, investigated by first-principle quasi-harmonic theory

    Sagatova, D. N., Sagatov, N. E., Shatskiy, A. F., Gavryushkin, P. N. & Litasov, K. D., Aug 2025, In: Computational Materials Science. 258, 114044.

    Research output: Contribution to journal › Article › peer-review

  3. Reevaluating CaCO3 Behavior at High Pressure: Formation of Ca2CO4 under Reduced Conditions

    Gavryushkin, P. N., Shatskiy, A., Bernikov, I., Sagatov, N., Litasov, K. D. & Higo, Y., 30 Jun 2025, In: JETP Letters.

    Research output: Contribution to journal › Article › peer-review

  4. K2C2O5─The First Finding of Pyrocarbonate Stable at Ambient Pressure

    Banaev, M. V., Sagatova, D. N., Sagatov, N. E. & Gavryushkin, P. N., 23 May 2025, In: Crystal Growth and Design. 25, 11

    Research output: Contribution to journal › Article › peer-review

  5. Insights into the Defect Structure of NaBa12(BO3)7F4 (NBBF) Crystals Using Raman Spectroscopy: Numerical and Experimental Study

    Bekker, T. B., Sagatov, N. E., Goryainov, S. V., Mikhno, A. O., Davydov, A. V., Yelisseyev, A. P., Romanenko, A. V. & Rashchenko, S. V., 15 May 2025, In: Crystal Growth and Design. 25, 11

    Research output: Contribution to journal › Article › peer-review

  6. P−T phase diagram of Na2C2O5 at pressures up to 100 GPa

    Sagatova, D. N., Sagatov, N. E., Banaev, M. V. & Gavryushkin, P. N., 1 Mar 2025, In: Solid State Communications. 397, 115764.

    Research output: Contribution to journal › Article › peer-review

  7. 2024

  8. Searching for Stable Beryllium Carbonates in the BeO-CO2 System

    Sagatova, D. N., Sagatov, N. E. & Gavryushkin, P. N., 27 Nov 2024, In: Journal of Physical Chemistry C. 128, 49, p. 21201-21207 7 p.

    Research output: Contribution to journal › Article › peer-review

  9. Dynamic Disorder of [BO3] Groups in the LiBa12(BO3)7F4 and NaBa12(BO3)7F4 Crystals

    Sagatov, N. E., Gavryushkin, P. N. & Bekker, T. B., 17 Oct 2024, In: Journal of Physical Chemistry C. 128, 41, p. 17703-17709 7 p.

    Research output: Contribution to journal › Article › peer-review

  10. Functional borates and their high-pressure polymorphic modifications. Review

    Bekker, T. B., Davydov, A. V. & Sagatov, N. E., 15 Oct 2024, In: Condensed Matter and Interphases. 26, 4, p. 620-632 13 p.

    Research output: Contribution to journal › Review article › peer-review

  11. Thermodynamic stability of Li-pyrocarbonate at atmospheric and high pressures

    Sagatova, D. N., Sagatov, N. E. & Gavryushkin, P. N., Sept 2024, In: Inorganic Chemistry Communications. 167, 5 p., 112808.

    Research output: Contribution to journal › Article › peer-review

  12. DFT calculations of the stability field and properties of a predicted lanthanum–scandium–aluminum garnet La3Sc2Al3O12 and P–T phase diagram of Y3Sc2Al3O12

    Sagatova, D. N., Sagatov, N. E., Gavryushkin, P. N. & Solodovnikov, S. F., Jul 2024, In: Computational Materials Science. 243, 8 p., 113124.

    Research output: Contribution to journal › Article › peer-review

  13. Pb2[C2O6]-P3̄m1: new insights into the high-pressure behavior of carbonates

    Banaev, M. V., Sagatova, D. N., Sagatov, N. E. & Gavryushkin, P. N., 4 Apr 2024, In: Physical Chemistry Chemical Physics. 26, 17, p. 13070-13077 8 p.

    Research output: Contribution to journal › Article › peer-review

  14. Growth, crystal structure and IR luminescence of KSrY1–xErx(BO3)2

    Kuznetsov, A. B., Kokh, K. A., Gorelova, L. A., Sofich, D. O., Sagatov, N., Gavryushkin, P. N., Vereshchagin, O. S., Bocharov, V. N., Shevchenko, V. S. & Kokh, A. E., 1 Apr 2024, In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 80, Pt 2, p. 126-134 9 p.

    Research output: Contribution to journal › Article › peer-review

  15. Equations of State of Solid CO2 Phases at Megabar Pressures

    Litasov, K. D., Brazhkin, V. V., Sagatov, N. E. & Inerbaev, T. M., Feb 2024, In: JETP Letters. 119, 3, p. 205-210 6 p.

    Research output: Contribution to journal › Article › peer-review

  16. The intrinsic twinning and enigmatic twisting of aragonite crystals

    Gavryushkin, P. N., Rečnik, A., Donskikh, K. G., Banaev, M. V., Sagatov, N. E., Rashchenko, S., Volkov, S., Aksenov, S., Mikhailenko, D., Korsakov, A., Daneu, N. & Litasov, K. D., 2024, In: Proceedings of the National Academy of Sciences of the United States of America. 121, 6, e2311738121.

    Research output: Contribution to journal › Article › peer-review

  17. 2023

  18. Crystal structures and P–T phase diagrams of SrC2O5 and BaC2O5

    Sagatova, D. N., Gavryushkin, P. N., Sagatov, N. E. & Banaev, M. V., 15 Dec 2023, In: Journal of Computational Chemistry. 44, 32, p. 2453-2460 8 p.

    Research output: Contribution to journal › Article › peer-review

  19. Phase relations, thermal conductivity and elastic properties of ZrO2 and HfO2 polymorphs at high pressures and temperatures

    Sagatova, D. N., Sagatov, N. E., Gavryushkin, P. N. & Solodovnikov, S. F., 13 Dec 2023, In: Physical chemistry chemical physics : PCCP. 25, 48, p. 33013-33022 10 p.

    Research output: Contribution to journal › Article › peer-review

  20. Symmetry control of cation substitution in ‘antizeolite’ borates

    Rashchenko, S. V., Davydov, A., Sagatov, N. E., Podborodnikov, I. V., Arkhipov, S. G., Romanenko, A. V. & Bekker, T. B., Nov 2023, In: Materials Research Bulletin. 167, 6 p., 112398.

    Research output: Contribution to journal › Article › peer-review

  21. First Finding of High-Pressure Modifications of Na2CO3 and K2CO3 with sp3-Hybridized Carbon Atoms

    Gavryushkin, P. N., Sagatov, N. E., Sagatova, D. N., Bekhtenova, A., Banaev, M. V., Alexandrov, E. V. & Litasov, K. D., 6 Sept 2023, In: Crystal Growth and Design. 23, 9, p. 6589-6596 8 p.

    Research output: Contribution to journal › Article › peer-review

  22. R3m: A New High-Pressure and/or High-Temperature Phase of PbCO3, SrCO3, BaCO3, and Possibly of CaCO3

    Gavryushkin, P. N., Banaev, M. V., Sagatov, N. E. & Sagatova, D. N., 6 Sept 2023, In: Crystal Growth and Design. 23, 9, p. 6474-6483 10 p.

    Research output: Contribution to journal › Article › peer-review

  23. Experimental and ab initio study of Ba2Na3(B3O6)2F stability in the pressure range of 0–10 GPa

    Sagatov, N. E., Bekker, T. B., Vinogradova, Y. G., Davydov, A. V., Podborodnikov, I. V. & Litasov, K. D., Sept 2023, In: International Journal of Minerals, Metallurgy and Materials. 30, 9, p. 1846-1854 9 p.

    Research output: Contribution to journal › Article › peer-review

  24. Novel Janus 2D structures of XMoY (X, Y = O, S, Se, Te) composition for solar hydrogen production

    Sukhanova, E. V., Sagatov, N., Oreshonkov, A. S., Gavryushkin, P. N. & Popov, Z. I., 1 May 2023, In: International Journal of Hydrogen Energy. 48, 38, p. 14226-14237 12 p.

    Research output: Contribution to journal › Article › peer-review

  25. Ba4B11O20F: Growth of Crystals and their Stability Under High Pressures

    Давыдов, А. В., Виноградова, Ю. Г., Сагатов, Н. & Беккер, Т. Б., May 2023, In: Journal of Structural Chemistry. 64, 5, p. 932-941 10 p.

    Research output: Contribution to journal › Article › peer-review

  26. New High-Pressure Structures of Transition Metal Carbonates with O3C–CO3 Orthooxalate Groups

    Sagatov, N. E., Sagatova, D. N., Gavryushkin, P. N. & Litasov, K. D., Feb 2023, In: Symmetry. 15, 2, 421.

    Research output: Contribution to journal › Article › peer-review

  27. 2022

  28. Comparative characteristics of various solvents of the Na, Ba, B//O, F system for the growth of β-BaB2O4 crystals and PT-diagram of BaB2O4 polymorphs

    Bekker, T. B., Davydov, A. V. & Sagatov, N. E., 1 Dec 2022, In: Journal of Crystal Growth. 599, 126895.

    Research output: Contribution to journal › Article › peer-review

  29. Electronic Properties and Chemical Bonding in V2FeSi and Fe2VSi Heusler Alloys

    Abuova, A., Merali, N., Abuova, F., Khovaylo, V., Sagatov, N. & Inerbaev, T., Nov 2022, In: Crystals. 12, 11, 1546.

    Research output: Contribution to journal › Article › peer-review

  30. First Experimental Synthesis of Mg Orthocarbonate by the MgCO3 + MgO = Mg2CO4 Reaction at Pressures of the Earth’s Lower Mantle

    Gavryushkin, P. N., Martirosyan, N. S., Rashchenko, S. V., Sagatova, D. N., Sagatov, N. E., Semerikova, A. I., Fedotenko, T. M. & Litasov, K. D., Oct 2022, In: JETP Letters. 116, 7, p. 477-484 8 p.

    Research output: Contribution to journal › Article › peer-review

  31. High-pressure transformations of CaC2O5 - a full structural trend from double [CO3] triangles through the isolated group of [CO4] tetrahedra to framework and layered structures

    Sagatova, D. N., Gavryushkin, P. N., Sagatov, N. E. & Banaev, M. V., 2 Sept 2022, In: Physical Chemistry Chemical Physics. 24, 38, p. 23578-23586 9 p.

    Research output: Contribution to journal › Article › peer-review

  32. Erratum to: Several Articles in JETP Letters Published Online First (JETP Letters, (2022), 10.1134/S0021364022601798)

    Ivanov, Y. B., Soldatov, A. A., Pakhomov, A. V., Arkhipov, M. V., Rosanov, N. N., Arkhipov, R. M., Sturman, B., Podivilov, E., Arbuzov, A., Bondarenko, S., Dydyshka, Y., Kalinovskaya, L., Rumyantsev, L., Sadykov, R., Yermolchyk, V., Yermolchyk, Y., Kats, E. I., Shilpashree, S. P., Shastri, V., Zakharov, B. G., & 19 othersGalakhov, V. R., Udintseva, M. S., Naumov, S. V., Shamin, S. N., Gizhevskii, B. A., Valba, O., Gorsky, A., Gavryushkin, P. N., Martirosyan, N. S., Rashchenko, S. V., Sagatova, D. N., Sagatov, N. E., Semerikova, A. I., Fedotenko, T. M., Litasov, K. D., Avchyan, B. R., Ghazaryan, A. G., Sargsyan, K. A. & Sedrakian, K. V., Sept 2022, In: JETP Letters. 116, 5, p. 342-345 4 p.

    Research output: Contribution to journal › Comment/debate › peer-review

  33. High-Pressure Crystal Structures of Pb2CO4 and PbC2O5 with Tetrahedral [CO4] and Pyrocarbonate [C2O5] atomic groups

    Banaev, M. V., Sagatov, N. E., Sagatova, D. N. & Gavryushkin, P. N., 26 Aug 2022, In: ChemistrySelect. 7, 32, e202201940.

    Research output: Contribution to journal › Article › peer-review

  34. Ba3(BO3)2: the first example of dynamic disorder in a borate crystal

    Sagatov, N. E., Gavryushkin, P. N., Bekker, T. B. & Litasov, K. D., 17 Jun 2022, In: Physical Chemistry Chemical Physics. 24, 27, p. 16437-16441 5 p.

    Research output: Contribution to journal › Article › peer-review

  35. Synthesis and Growth of Rare Earth Borates NaSrR(BO3)2(R = Ho-Lu, Y, Sc)

    Kuznetsov, A. B., Kokh, K. A., Sagatov, N., Gavryushkin, P. N., Molokeev, M. S., Svetlichnyi, V. A., Lapin, I. N., Kononova, N. G., Shevchenko, V. S., Bolatov, A., Uralbekov, B., Goreiavcheva, A. A. & Kokh, A. E., 16 May 2022, In: Inorganic Chemistry. 61, 19, p. 7497–7505 9 p.

    Research output: Contribution to journal › Article › peer-review

  36. High-Pressure Synthesis, Electronic Properties, and Raman Spectroscopy of Barium Tetraborate BaB4O7Polymorphs

    Bekker, T. B., Sagatov, N. E., Podborodnikov, I. V., Shatskiy, A. F., Rashchenko, S., Goryainov, S. V., Davydov, A. & Litasov, K. D., 4 May 2022, In: Crystal Growth and Design. 22, 5, p. 3405-3412 8 p.

    Research output: Contribution to journal › Article › peer-review

  37. γ-BaB2O4: High-Pressure High-Temperature Polymorph of Barium Borate with Edge-Sharing BO4Tetrahedra

    Bekker, T. B., Podborodnikov, I. V., Sagatov, N. E., Shatskiy, A., Rashchenko, S., Sagatova, D. N., Davydov, A. & Litasov, K. D., 31 Jan 2022, In: Inorganic Chemistry. 61, 4, p. 2340-2350 11 p.

    Research output: Contribution to journal › Article › peer-review

  38. Novel Calcium sp3Carbonate CaC2O5- I4¯ 2 d May Be a Carbon Host in Earth's Lower Mantle

    König, J., Spahr, D., Bayarjargal, L., Gavryushkin, P. N., Sagatova, D., Sagatov, N., Milman, V., Liermann, H. P. & Winkler, B., 20 Jan 2022, In: ACS Earth and Space Chemistry. 6, 1, p. 73-80 8 p.

    Research output: Contribution to journal › Article › peer-review

  39. Janus structures of SMoSe and SVSe compositions with low enthalpy and unusual crystal chemistry

    Gavryushkin, P., Sagatov, N., Sukhanova, E., Medrish, I. & Popov, Z., 2022, In: Journal of Applied Crystallography. 55, 5, p. 1324-1335 12 p.

    Research output: Contribution to journal › Article › peer-review

  40. 2021

  41. Alkali Metal (Li, Na, and K) Orthocarbonates: Stabilization of sp3-Bonded Carbon at Pressures above 20 GPa

    Sagatova, D. N., Sagatov, N. E., Gavryushkin, P. N., Banaev, M. V. & Litasov, K. D., 1 Dec 2021, In: Crystal Growth and Design. 21, 12, p. 6744-6751 8 p.

    Research output: Contribution to journal › Article › peer-review

  42. Fe-N System at High Pressures and Its Relevance to the Earth's Core Composition

    Sagatov, N. E., Sagatova, D. N., Gavryushkin, P. N. & Litasov, K. D., 3 Nov 2021, In: Crystal Growth and Design. 21, 11, p. 6101-6109 9 p.

    Research output: Contribution to journal › Article › peer-review

  43. First-Principles investigation of Pressure-Induced structural transformations of barium borates in the BaO-B2O3-BaF2 system in the range of 0–10 GPa

    Sagatov, N. E., Bekker, T. B., Podborodnikov, I. V. & Litasov, K. D., Nov 2021, In: Computational Materials Science. 199, 110735.

    Research output: Contribution to journal › Article › peer-review

  44. Phase relations, and mechanical and electronic properties of nickel borides, carbides, and nitrides from ab initio calculations

    Sagatov, N. E., Abuova, A. U., Sagatova, D. N., Gavryushkin, P. N., Abuova, F. U. & Litasov, K. D., 6 Oct 2021, In: RSC Advances. 11, 53, p. 33781-33787 7 p.

    Research output: Contribution to journal › Article › peer-review

  45. Orthocarbonates of Ca, Sr, and Ba - The Appearance of sp3-Hybridized Carbon at a Low Pressure of 5 GPa and Dynamic Stability at Ambient Pressure

    Gavryushkin, P. N., Sagatova, D. N., Sagatov, N. & Litasov, K. D., 19 Aug 2021, In: ACS Earth and Space Chemistry. 5, 8, p. 1948-1957 10 p.

    Research output: Contribution to journal › Article › peer-review

  46. Stability of Ca2CO4- Pnma against the Main Mantle Minerals from Ab Initio Computations

    Sagatova, D. N., Shatskiy, A. F., Gavryushkin, P. N., Sagatov, N. E. & Litasov, K. D., 15 Jul 2021, In: ACS Earth and Space Chemistry. 5, 7, p. 1709-1715 7 p.

    Research output: Contribution to journal › Article › peer-review

  47. Experimental and Ab Initio Investigation of the Formation of Phosphoran Olivine

    Bekker, T., Litasov, K., Shatskiy, A., Sagatov, N., Podborodnikov, I. & Krinitsin, P., 17 Jun 2021, In: ACS Earth and Space Chemistry. 5, 6, p. 1373-1383 11 p.

    Research output: Contribution to journal › Article › peer-review

  48. Formation of Mg-Orthocarbonate through the Reaction MgCO3+ MgO = Mg2CO4at Earth's Lower Mantle P- T Conditions

    Gavryushkin, P. N., Sagatova, D. N., Sagatov, N. & Litasov, K. D., 5 May 2021, In: Crystal Growth and Design. 21, 5, p. 2986-2992 7 p.

    Research output: Contribution to journal › Article › peer-review

  49. Phase Relations in the Ni-S System at High Pressures from ab Initio Computations

    Sagatov, N. E., Bazarbek, A. D. B., Inerbaev, T. M., Gavryushkin, P. N., Akilbekov, A. T. & Litasov, K. D., 18 Mar 2021, In: ACS Earth and Space Chemistry. 5, 3, p. 596-603 8 p.

    Research output: Contribution to journal › Article › peer-review

  50. Metastable structures of CaCO3and their role in transformation of calcite to aragonite and postaragonite

    Gavryushkin, P. N., Belonoshko, A. B., Sagatov, N., Sagatova, D., Zhitova, E., Krzhizhanovskaya, M. G., Recnik, A., Alexandrov, E. V., Medrish, I. V., Popov, Z. I. & Litasov, K. D., 6 Jan 2021, In: Crystal Growth and Design. 21, 1, p. 65-74 10 p.

    Research output: Contribution to journal › Article › peer-review

  51. Образование Mg-ортокарбоната по реакции MgCO3+MgO=Mg2CO4 при P-T параметрах нижней мантии Земли

    Гаврюшкин, П. Н., Сагатова, Д., Сагатов, Н. & Литасов, К. Д., 2021, p. 30. 1 p.

    Research output: Contribution to conference › Abstract

  52. Расчеты фазовых взаимоотношений в системе CaSiO3 до 100 ГПа и 2500 K

    Сагатова, Д., Шацкий, А. Ф., Сагатов, Н. & Литасов, К. Д., 2021, p. 113. 1 p.

    Research output: Contribution to conference › Abstract

  53. Теоретическое исследование ортокарбоната магния при P-T параметрах мантии Земли

    Сагатова, Д., Гаврюшкин, П. Н., Сагатов, Н. & Литасов, К. Д., 2021, p. 314-315. 2 p.

    Research output: Contribution to conference › Abstract

  54. Термодинамическая стабильность ортокарбоната кальция, Ca2CO4-Pnma, относительно основных мантийных минералов

    Сагатова, Д., Шацкий, А. Ф., Гаврюшкин, П. Н., Сагатов, Н. & Литасов, К. Д., 2021, p. 112. 1 p.

    Research output: Contribution to conference › Abstract

  55. Фазовые соотношения фосфидов и сульфидов никеля при высоких давлениях

    Сагатов, Н., Инербаев, Т. М., Гаврюшкин, П. Н., Сагатова, Д. & Литасов, К. Д., 2021, p. 111. 1 p.

    Research output: Contribution to conference › Abstract

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