LiVP2HO8
Alexandria ALEXAlex-ID: agm005265262 · 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
ABCD2E8_120_spg1
LiP(HO2)2 LiV2(PO4)3
2024-10-18 12:07:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265262).
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 agm005265262
data_agm005265262
_cell_length_a 7.49497
_cell_length_b 8.00679
_cell_length_c 9.72328
_cell_angle_alpha 90.11740
_cell_angle_beta 105.20863
_cell_angle_gamma 89.89071
_cell_volume 563.06274
_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
Li1 Li 0.13815 0.12715 0.79209 1.00000
Li2 Li 0.64031 0.37237 0.54768 1.00000
Li3 Li 0.86025 0.87173 0.21116 1.00000
Li4 Li 0.64634 0.36856 0.04809 1.00000
V1 V 0.00182 0.50606 0.75281 1.00000
V2 V 0.49711 0.99593 0.49995 1.00000
V3 V 0.01377 0.49294 0.25412 1.00000
V4 V 0.49659 0.99560 0.99937 1.00000
P1 P 0.74013 0.65378 0.93821 1.00000
P2 P 0.76437 0.15226 0.81177 1.00000
P3 P 0.23739 0.84231 0.68130 1.00000
P4 P 0.26775 0.34279 0.56750 1.00000
P5 P 0.73661 0.65522 0.43409 1.00000
P6 P 0.76532 0.15332 0.31557 1.00000
P7 P 0.23875 0.84359 0.18678 1.00000
P8 P 0.26533 0.34565 0.06149 1.00000
H1 H 0.51147 0.51066 0.76716 1.00000
H2 H 0.01114 0.99184 0.51159 1.00000
H3 H 0.51329 0.50495 0.26618 1.00000
H4 H 0.01149 0.99195 0.01257 1.00000
O1 O 0.14869 0.44431 0.92670 1.00000
O2 O 0.68936 0.82470 0.99081 1.00000
O3 O 0.63698 0.17158 0.91492 1.00000
O4 O 0.56116 0.55171 0.87492 1.00000
O5 O 0.34339 0.94111 0.81918 1.00000
O6 O 0.17867 0.67160 0.72213 1.00000
O7 O 0.94483 0.06304 0.88091 1.00000
O8 O 0.86482 0.67241 0.83672 1.00000
O9 O 0.13656 0.32676 0.66710 1.00000
O10 O 0.06606 0.95564 0.62184 1.00000
O11 O 0.80757 0.32534 0.75611 1.00000
O12 O 0.65054 0.05278 0.67859 1.00000
O13 O 0.44236 0.44179 0.63112 1.00000
O14 O 0.36707 0.82598 0.58376 1.00000
O15 O 0.31610 0.16909 0.52095 1.00000
O16 O 0.15004 0.43742 0.43053 1.00000
O17 O 0.83994 0.55382 0.56895 1.00000
O18 O 0.67963 0.82754 0.47307 1.00000
O19 O 0.63859 0.17622 0.41747 1.00000
O20 O 0.56339 0.54409 0.37322 1.00000
O21 O 0.34254 0.94511 0.32015 1.00000
O22 O 0.18491 0.67104 0.23060 1.00000
O23 O 0.93247 0.04240 0.37396 1.00000
O24 O 0.86304 0.67037 0.33187 1.00000
O25 O 0.13551 0.32809 0.16043 1.00000
O26 O 0.05365 0.93554 0.11732 1.00000
O27 O 0.81370 0.32336 0.26077 1.00000
O28 O 0.64662 0.05670 0.17836 1.00000
O29 O 0.44554 0.43473 0.12778 1.00000
O30 O 0.36593 0.83090 0.08604 1.00000
O31 O 0.30634 0.17293 0.00285 1.00000
O32 O 0.84278 0.54923 0.07126 1.00000
