Pm3(In2Cu)2
Alexandria ALEXAlex-ID: agm005606786 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
PmInCu PmIn3 Pm3In5
2023-06-26 23:02:18.469265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606786).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005606786
data_agm005606786
_cell_length_a 4.75715
_cell_length_b 6.07869
_cell_length_c 8.85897
_cell_angle_alpha 72.20128
_cell_angle_beta 74.42537
_cell_angle_gamma 66.96478
_cell_volume 221.20273
_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 0.32688 0.69786 0.64838 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Pm3 Pm 0.67312 0.30214 0.35162 1.00000
In1 In 0.26928 0.37985 0.08159 1.00000
In2 In 0.73072 0.62015 0.91841 1.00000
In3 In 0.03523 0.29179 0.63775 1.00000
In4 In 0.96477 0.70821 0.36225 1.00000
Cu1 Cu 0.40314 0.92286 0.27086 1.00000
Cu2 Cu 0.59686 0.07714 0.72914 1.00000
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