CaPmAu4
Alexandria ALEXAlex-ID: agm003742002 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1111_spg65
Ca3Au5 PmAu2 PmAu3
2022-04-18 07:46:24.005397
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003742002).
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 agm003742002
data_agm003742002
_cell_length_a 5.37562
_cell_length_b 5.33659
_cell_length_c 5.33406
_cell_angle_alpha 60.55288
_cell_angle_beta 89.94892
_cell_angle_gamma 89.93548
_cell_volume 133.25187
_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 0.00125 0.99750 0.49797 1.00000
Pm1 Pm 0.50134 0.49707 0.99833 1.00000
Au1 Au 0.50164 0.83171 0.33289 1.00000
Au2 Au 0.50084 0.16222 0.66397 1.00000
Au3 Au 0.00174 0.33046 0.83025 1.00000
Au4 Au 0.00099 0.66476 0.16542 1.00000
