PmNdGa
Alexandria ALEXAlex-ID: agm003609166 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_3116_spg36
Nd PmGa
2022-03-06 22:02:41.100742
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003609166).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003609166
data_agm003609166
_cell_length_a 3.81340
_cell_length_b 5.26128
_cell_length_c 8.68385
_cell_angle_alpha 89.98786
_cell_angle_beta 102.65356
_cell_angle_gamma 89.99959
_cell_volume 169.99567
_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 0.85550 0.52506 0.39926 1.00000
Pm2 Pm 0.00463 0.02592 0.69370 1.00000
Nd1 Nd 0.70955 0.02479 0.10570 1.00000
Nd2 Nd 0.15063 0.52500 0.98731 1.00000
Ga1 Ga 0.50739 0.52661 0.69947 1.00000
Ga2 Ga 0.35273 0.02522 0.39358 1.00000
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