InPH6
Alexandria ALEXAlex-ID: agm071410173 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1362_spg212
PH4 InH2
2025-05-28 03:12:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071410173).
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 agm071410173
data_agm071410173
_cell_length_a 6.96786
_cell_length_b 7.11577
_cell_length_c 7.11972
_cell_angle_alpha 89.98450
_cell_angle_beta 90.01830
_cell_angle_gamma 89.99994
_cell_volume 353.00770
_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
In1 In 0.86708 0.86475 0.13811 1.00000
In2 In 0.36608 0.63306 0.86596 1.00000
In3 In 0.63377 0.13307 0.63416 1.00000
In4 In 0.13284 0.36463 0.36203 1.00000
P1 P 0.42940 0.43069 0.56984 1.00000
P2 P 0.93791 0.06384 0.43616 1.00000
P3 P 0.06190 0.56392 0.06397 1.00000
P4 P 0.57053 0.93067 0.93027 1.00000
H1 H 0.83725 0.45474 0.66653 1.00000
H2 H 0.22141 0.99004 0.21691 1.00000
H3 H 0.77817 0.48993 0.28280 1.00000
H4 H 0.16302 0.95494 0.83350 1.00000
H5 H 0.39526 0.88329 0.51001 1.00000
H6 H 0.60486 0.38276 0.98939 1.00000
H7 H 0.74812 0.76530 0.52509 1.00000
H8 H 0.25224 0.26537 0.97516 1.00000
H9 H 0.51952 0.16218 0.19341 1.00000
H10 H 0.09882 0.66523 0.58677 1.00000
H11 H 0.49830 0.74093 0.23551 1.00000
H12 H 0.90170 0.16525 0.91298 1.00000
H13 H 0.30072 0.97103 0.14472 1.00000
H14 H 0.89834 0.47275 0.75382 1.00000
H15 H 0.69883 0.47098 0.35499 1.00000
H16 H 0.10169 0.97251 0.74627 1.00000
H17 H 0.94191 0.25699 0.95377 1.00000
H18 H 0.47990 0.66250 0.30692 1.00000
H19 H 0.50133 0.24070 0.26473 1.00000
H20 H 0.05871 0.75714 0.54619 1.00000
H21 H 0.67013 0.69153 0.54007 1.00000
H22 H 0.33012 0.19154 0.96008 1.00000
H23 H 0.68656 0.45358 0.99354 1.00000
H24 H 0.31357 0.95416 0.50633 1.00000
