Pm2Tl2CrO6
Alexandria ALEXAlex-ID: agm004582467 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_25_spg12
Tl4O3 PmCrO3 Pm2O3
2022-06-24 11:43:59.550630
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004582467).
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 agm004582467
data_agm004582467
_cell_length_a 5.87169
_cell_length_b 5.87169
_cell_length_c 6.71980
_cell_angle_alpha 97.68062
_cell_angle_beta 97.68062
_cell_angle_gamma 118.95890
_cell_volume 195.56392
_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
Pm1 Pm 0.33448 0.66552 0.50000 1.00000
Pm2 Pm 0.66552 0.33448 0.50000 1.00000
Tl1 Tl 0.83885 0.16115 0.00000 1.00000
Tl2 Tl 0.16115 0.83885 0.00000 1.00000
Cr1 Cr 0.00000 0.00000 0.50000 1.00000
O1 O 0.76312 0.76312 0.67827 1.00000
O2 O 0.04792 0.33403 0.65771 1.00000
O3 O 0.23688 0.23688 0.32173 1.00000
O4 O 0.33403 0.04792 0.65771 1.00000
O5 O 0.95208 0.66597 0.34229 1.00000
O6 O 0.66597 0.95208 0.34229 1.00000
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