ErCoSn3
Alexandria ALEXAlex-ID: agm005882811 · 空间群: Pbcm (#57)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6791_spg57
Er2Co3Sn5 Er5(Co2Sn5)2 Er7Co6Sn23
2023-07-03 11:44:28.812363
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882811).
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 agm005882811
data_agm005882811
_cell_length_a 5.97476
_cell_length_b 6.12808
_cell_length_c 12.15637
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 445.09089
_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
Er1 Er 0.75000 0.52661 0.70157 1.00000
Er2 Er 0.25000 0.47339 0.29843 1.00000
Er3 Er 0.75000 0.02661 0.29843 1.00000
Er4 Er 0.25000 0.97339 0.70157 1.00000
Co1 Co 0.50000 0.25000 0.11408 1.00000
Co2 Co 0.00000 0.75000 0.88592 1.00000
Co3 Co 0.50000 0.75000 0.88592 1.00000
Co4 Co 0.00000 0.25000 0.11408 1.00000
Sn1 Sn 0.00000 0.25000 0.50691 1.00000
Sn2 Sn 0.50000 0.75000 0.49309 1.00000
Sn3 Sn 0.00000 0.75000 0.49309 1.00000
Sn4 Sn 0.50000 0.25000 0.50691 1.00000
Sn5 Sn 0.25000 0.08481 0.95248 1.00000
Sn6 Sn 0.75000 0.91519 0.04752 1.00000
Sn7 Sn 0.25000 0.58481 0.04752 1.00000
Sn8 Sn 0.75000 0.41519 0.95248 1.00000
Sn9 Sn 0.25000 0.47267 0.77550 1.00000
Sn10 Sn 0.75000 0.52733 0.22450 1.00000
Sn11 Sn 0.25000 0.97267 0.22450 1.00000
Sn12 Sn 0.75000 0.02733 0.77550 1.00000
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