PmSm2Sb3
Alexandria ALEXAlex-ID: agm043078617 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Pm3SmSb4 PmSm3Sb4
2024-12-09 14:38:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043078617).
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 agm043078617
data_agm043078617
_cell_length_a 14.84072
_cell_length_b 14.15441
_cell_length_c 7.75059
_cell_angle_alpha 79.45017
_cell_angle_beta 69.65768
_cell_angle_gamma 30.89215
_cell_volume 760.99205
_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 0.91670 0.91670 0.08330 1.00000
Pm2 Pm 0.33330 0.33330 0.16670 1.00000
Pm3 Pm 0.16670 0.16670 0.33330 1.00000
Pm4 Pm 0.08330 0.08330 0.91670 1.00000
Sm1 Sm 0.00015 0.00015 0.49985 1.00000
Sm2 Sm 0.41654 0.41654 0.58346 1.00000
Sm3 Sm 0.83346 0.83346 0.66654 1.00000
Sm4 Sm 0.24985 0.24985 0.75015 1.00000
Sm5 Sm 0.75015 0.75015 0.24985 1.00000
Sm6 Sm 0.66654 0.66654 0.83346 1.00000
Sm7 Sm 0.58346 0.58346 0.41654 1.00000
Sm8 Sm 0.49985 0.49985 0.00015 1.00000
Sb1 Sb 0.66693 0.16678 0.83214 1.00000
Sb2 Sb 0.16678 0.66693 0.33415 1.00000
Sb3 Sb 0.58307 0.08322 0.41786 1.00000
Sb4 Sb 0.08322 0.58307 0.91585 1.00000
Sb5 Sb 0.50113 0.99887 0.99887 1.00000
Sb6 Sb 0.99887 0.50113 0.50113 1.00000
Sb7 Sb 0.91585 0.41786 0.08322 1.00000
Sb8 Sb 0.41786 0.91585 0.58307 1.00000
Sb9 Sb 0.33415 0.83214 0.16678 1.00000
Sb10 Sb 0.83214 0.33415 0.66693 1.00000
Sb11 Sb 0.74887 0.25113 0.25113 1.00000
Sb12 Sb 0.25113 0.74887 0.74887 1.00000
