Pm7CoGe4
Alexandria ALEXAlex-ID: agm003664570 · 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
AB4C7_98_spg12
Pm4Ge3 Pm5CoGe2 PmCo
2022-04-08 19:37:29.272344
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664570).
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 agm003664570
data_agm003664570
_cell_length_a 5.14637
_cell_length_b 9.15147
_cell_length_c 7.89815
_cell_angle_alpha 77.09506
_cell_angle_beta 70.98622
_cell_angle_gamma 73.66953
_cell_volume 333.91818
_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 0.78953 0.86631 0.55464 1.00000
Pm2 Pm 0.21047 0.13369 0.44536 1.00000
Pm3 Pm 0.07892 0.71343 0.12873 1.00000
Pm4 Pm 0.92108 0.28657 0.87127 1.00000
Pm5 Pm 0.35781 0.55316 0.73121 1.00000
Pm6 Pm 0.50000 0.00000 0.00000 1.00000
Pm7 Pm 0.64219 0.44684 0.26879 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.57727 0.22262 0.62283 1.00000
Ge2 Ge 0.42273 0.77738 0.37717 1.00000
Ge3 Ge 0.72545 0.65520 0.89391 1.00000
Ge4 Ge 0.27455 0.34480 0.10609 1.00000
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