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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. 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

  6. 2024

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 2023

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  21. Halogen-Doped Chevrel Phase Janus Monolayers for Photocatalytic Water Splitting

    Sukhanova, E. V., Sagatov, N. E., Oreshonkov, A. S., Gavryushkin, P. N. & Popov, Z. I., 16 Jan 2023, In: Nanomaterials. 13, 2, 368.

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

  22. 2022

  23. Crystal structure of nyerereite: A possible messenger from the deep Earth

    Zucchini, A., Gavryushkin, P. N., Golovin, A. V., Bolotina, N. B., Stabile, P., Carroll, M. R., Comodi, P., Frondini, F., Morgavi, D., Perugini, D., Arzilli, F., Cherin, M., Kazimoto, E., Kokh, K., Kuznetsov, A. & Medrish, I. V., 1 Nov 2022, In: American Mineralogist. 107, 11, p. 2054-2064 11 p.

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

  24. 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

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