MgV2Zn2(SiO5)2
Alexandria ALEXAlex-ID: agm005230752 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2E10_24_spg1
Zn2SiO4 Mg2SiO4 V2ZnO4 SiO2
2023-05-07 11:41:49.721211
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005230752).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm005230752
data_agm005230752
_cell_length_a 5.37454
_cell_length_b 5.66360
_cell_length_c 7.29764
_cell_angle_alpha 108.62182
_cell_angle_beta 108.29229
_cell_angle_gamma 95.17536
_cell_volume 195.34014
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.99483 0.92754 0.20279 1.00000
V1 V 0.55141 0.01077 0.50777 1.00000
V2 V 0.46210 0.98197 0.98125 1.00000
Zn1 Zn 0.26157 0.35367 0.76607 1.00000
Zn2 Zn 0.70211 0.55798 0.26258 1.00000
Si1 Si 0.81467 0.62138 0.74685 1.00000
Si2 Si 0.17631 0.39756 0.24635 1.00000
O1 O 0.58255 0.64146 0.85263 1.00000
O2 O 0.74968 0.72661 0.55724 1.00000
O3 O 0.33808 0.33111 0.08326 1.00000
O4 O 0.28399 0.24514 0.40611 1.00000
O5 O 0.19186 0.70485 0.33616 1.00000
O6 O 0.85378 0.25922 0.13036 1.00000
O7 O 0.86672 0.32754 0.66606 1.00000
O8 O 0.09412 0.80027 0.93972 1.00000
O9 O 0.64404 0.90466 0.24774 1.00000
O10 O 0.42644 0.05969 0.73800 1.00000
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