Ca2Er2Mn3
Alexandria ALEXAlex-ID: agm009396356 · 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
A2B2C3_23_spg12
Er2Mn17 Ca Er
2024-07-17 16:30:24.608367
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009396356).
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 agm009396356
data_agm009396356
_cell_length_a 5.60530
_cell_length_b 5.60530
_cell_length_c 9.12154
_cell_angle_alpha 90.05031
_cell_angle_beta 90.05031
_cell_angle_gamma 37.64299
_cell_volume 175.03342
_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
Ca1 Ca 0.86625 0.86625 0.38994 1.00000
Ca2 Ca 0.13375 0.13375 0.61006 1.00000
Er1 Er 0.59758 0.59758 0.20290 1.00000
Er2 Er 0.40242 0.40242 0.79710 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.69025 0.69025 0.90811 1.00000
Mn3 Mn 0.30975 0.30975 0.09189 1.00000
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