Nb2CoB2Ir3Pt2
Alexandria ALEXAlex-ID: agm010792438 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2E3_0_spg55
NbIr3 NbB2 BIr NbPt3 CoB
2024-06-24 11:52:44.426176
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010792438).
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 agm010792438
data_agm010792438
_cell_length_a 3.39931
_cell_length_b 8.82842
_cell_length_c 8.93321
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 268.09014
_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
Nb1 Nb 0.00000 0.67863 0.17817 1.00000
Nb2 Nb 0.00000 0.32137 0.82183 1.00000
Nb3 Nb 0.00000 0.82137 0.67817 1.00000
Nb4 Nb 0.00000 0.17863 0.32183 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.00000 0.50000 0.50000 1.00000
B1 B 0.00000 0.11319 0.63078 1.00000
B2 B 0.00000 0.88681 0.36922 1.00000
B3 B 0.00000 0.38681 0.13078 1.00000
B4 B 0.00000 0.61319 0.86922 1.00000
Ir1 Ir 0.50000 0.06733 0.79045 1.00000
Ir2 Ir 0.50000 0.93267 0.20955 1.00000
Ir3 Ir 0.50000 0.56733 0.70955 1.00000
Ir4 Ir 0.50000 0.43267 0.29045 1.00000
Ir5 Ir 0.50000 0.50000 0.00000 1.00000
Ir6 Ir 0.50000 0.00000 0.50000 1.00000
Pt1 Pt 0.50000 0.20617 0.06717 1.00000
Pt2 Pt 0.50000 0.79383 0.93283 1.00000
Pt3 Pt 0.50000 0.29383 0.56717 1.00000
Pt4 Pt 0.50000 0.70617 0.43283 1.00000
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