Ca2Ho2Sb2C
Alexandria ALEXAlex-ID: agm024531685 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_132_spg139
Ca2Ho2Sb2C
2024-09-25 18:33:28.969748
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024531685).
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 agm024531685
data_agm024531685
_cell_length_a 8.73105
_cell_length_b 8.73105
_cell_length_c 8.73105
_cell_angle_alpha 147.96000
_cell_angle_beta 147.96000
_cell_angle_gamma 45.94442
_cell_volume 186.68407
_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
Ca1 Ca 0.16276 0.16276 0.00000 1.00000
Ca2 Ca 0.83724 0.83724 0.00000 1.00000
Ho1 Ho 0.00000 0.50000 0.50000 1.00000
Ho2 Ho 0.50000 0.00000 0.50000 1.00000
Sb1 Sb 0.36398 0.36398 0.00000 1.00000
Sb2 Sb 0.63602 0.63602 0.00000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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