Ac6ZnCo2Br3
Alexandria ALEXAlex-ID: agm004597261 · 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
AB2C3D6_175_spg12
Ac4Zn AcZn AcBr3 Ac2CoBr
2022-06-27 02:27:00.963973
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004597261).
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 agm004597261
data_agm004597261
_cell_length_a 7.55134
_cell_length_b 7.55134
_cell_length_c 8.59467
_cell_angle_alpha 98.44836
_cell_angle_beta 98.44836
_cell_angle_gamma 119.99995
_cell_volume 405.69572
_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
Ac1 Ac 0.93471 0.57521 0.80437 1.00000
Ac2 Ac 0.70594 0.70594 0.19565 1.00000
Ac3 Ac 0.06529 0.42479 0.19563 1.00000
Ac4 Ac 0.57521 0.93471 0.80437 1.00000
Ac5 Ac 0.29406 0.29406 0.80435 1.00000
Ac6 Ac 0.42479 0.06529 0.19563 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.33325 0.66675 0.00000 1.00000
Co2 Co 0.66675 0.33325 0.00000 1.00000
Br1 Br 0.16453 0.83547 0.50000 1.00000
Br2 Br 0.83547 0.16453 0.50000 1.00000
Br3 Br 0.50000 0.50000 0.50000 1.00000
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