Ca8Cu4Sb
Alexandria ALEXAlex-ID: agm098093057 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_785_spg1
Ca2Sb Ca2Cu CaCu
2025-06-02 13:52:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098093057).
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 agm098093057
data_agm098093057
_cell_length_a 4.31486
_cell_length_b 10.45952
_cell_length_c 10.45966
_cell_angle_alpha 56.45982
_cell_angle_beta 90.05206
_cell_angle_gamma 89.95463
_cell_volume 393.45935
_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 0.69463 0.34296 0.96496 1.00000
Ca2 Ca 0.19228 0.70973 0.29234 1.00000
Ca3 Ca 0.19249 0.67678 0.67678 1.00000
Ca4 Ca 0.69150 0.02338 0.67401 1.00000
Ca5 Ca 0.69073 0.96457 0.34328 1.00000
Ca6 Ca 0.19341 0.32223 0.32213 1.00000
Ca7 Ca 0.19286 0.29247 0.70975 1.00000
Ca8 Ca 0.69338 0.67406 0.02319 1.00000
Cu1 Cu 0.19150 0.92346 0.92337 1.00000
Cu2 Cu 0.19432 0.50448 0.00168 1.00000
Cu3 Cu 0.69093 0.55875 0.55857 1.00000
Cu4 Cu 0.19018 0.00184 0.50451 1.00000
Sb1 Sb 0.69179 0.00532 0.00542 1.00000
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