ErVF7
Alexandria ALEXAlex-ID: agm024193700 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
ErVF7
2024-10-04 00:24:04.691436
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024193700).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm024193700
data_agm024193700
_cell_length_a 5.55372
_cell_length_b 5.89780
_cell_length_c 8.37964
_cell_angle_alpha 72.80230
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 262.20135
_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
Er1 Er 0.70288 0.87772 0.20429 1.00000
Er2 Er 0.20288 0.12228 0.79571 1.00000
V1 V 0.70298 0.65638 0.72653 1.00000
V2 V 0.20298 0.34362 0.27347 1.00000
F1 F 0.95263 0.00018 0.99991 1.00000
F2 F 0.45263 0.99982 0.00009 1.00000
F3 F 0.44474 0.57769 0.26553 1.00000
F4 F 0.94474 0.42231 0.73447 1.00000
F5 F 0.96101 0.57761 0.26546 1.00000
F6 F 0.46101 0.42239 0.73454 1.00000
F7 F 0.95749 0.10966 0.29104 1.00000
F8 F 0.45749 0.89034 0.70896 1.00000
F9 F 0.70312 0.73095 0.49518 1.00000
F10 F 0.20312 0.26905 0.50482 1.00000
F11 F 0.70305 0.58715 0.94876 1.00000
F12 F 0.20305 0.41285 0.05124 1.00000
F13 F 0.44846 0.10972 0.29096 1.00000
F14 F 0.94846 0.89028 0.70904 1.00000
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