Mg2ZnInIr
Alexandria ALEXAlex-ID: agm005010791 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1698_spg44
Mg2InIr MgIn2Ir Mg2Zn3Ir MgIn6
2022-07-04 13:29:21.559367
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010791).
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 agm005010791
data_agm005010791
_cell_length_a 3.11555
_cell_length_b 4.70568
_cell_length_c 7.14498
_cell_angle_alpha 109.22630
_cell_angle_beta 102.59297
_cell_angle_gamma 90.00000
_cell_volume 96.23576
_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
Mg1 Mg 0.26373 0.26373 0.52746 1.00000
Mg2 Mg 0.92194 0.92194 0.84387 1.00000
Zn1 Zn 0.70327 0.70327 0.40654 1.00000
In1 In 0.49518 0.49518 0.99036 1.00000
Ir1 Ir 0.59895 0.09895 0.19791 1.00000
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