Pm3Pr2ErSb6
Alexandria ALEXAlex-ID: agm034361818 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_598_spg1
PmPr3Sb4 Pm3PrSb4 ErSb
2025-02-28 16:21:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034361818).
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 agm034361818
data_agm034361818
_cell_length_a 10.04037
_cell_length_b 10.04037
_cell_length_c 8.98562
_cell_angle_alpha 77.01417
_cell_angle_beta 102.98583
_cell_angle_gamma 154.13542
_cell_volume 384.51935
_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 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.83180 0.16820 0.66594 1.00000
Pm3 Pm 0.16820 0.83180 0.33406 1.00000
Pr1 Pr 0.83455 0.16545 0.16800 1.00000
Pr2 Pr 0.16545 0.83455 0.83200 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.33627 0.66373 0.42128 1.00000
Sb2 Sb 0.66601 0.33399 0.08546 1.00000
Sb3 Sb 0.66373 0.33627 0.57872 1.00000
Sb4 Sb 0.99804 0.00196 0.74263 1.00000
Sb5 Sb 0.00196 0.99804 0.25737 1.00000
Sb6 Sb 0.33399 0.66601 0.91454 1.00000
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