PmBiPd5
Alexandria ALEXAlex-ID: agm005777639 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_91_spg62
Pm4BiPd15 Bi2Pd5 BiPd
2023-07-14 22:07:17.622461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777639).
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 agm005777639
data_agm005777639
_cell_length_a 5.53797
_cell_length_b 8.85308
_cell_length_c 11.01497
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 540.04312
_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 0.25000 0.25646 0.95069 1.00000
Pm2 Pm 0.75000 0.24354 0.45069 1.00000
Pm3 Pm 0.25000 0.75646 0.54931 1.00000
Pm4 Pm 0.75000 0.74354 0.04931 1.00000
Bi1 Bi 0.25000 0.84690 0.84902 1.00000
Bi2 Bi 0.75000 0.65310 0.34902 1.00000
Bi3 Bi 0.25000 0.34690 0.65098 1.00000
Bi4 Bi 0.75000 0.15310 0.15098 1.00000
Pd1 Pd 0.25000 0.59642 0.02245 1.00000
Pd2 Pd 0.75000 0.90358 0.52245 1.00000
Pd3 Pd 0.25000 0.09642 0.47755 1.00000
Pd4 Pd 0.75000 0.40358 0.97755 1.00000
Pd5 Pd 0.75000 0.31685 0.73299 1.00000
Pd6 Pd 0.25000 0.18315 0.23299 1.00000
Pd7 Pd 0.75000 0.81685 0.76701 1.00000
Pd8 Pd 0.25000 0.68315 0.26701 1.00000
Pd9 Pd 0.25000 0.92792 0.08335 1.00000
Pd10 Pd 0.75000 0.57208 0.58335 1.00000
Pd11 Pd 0.25000 0.42792 0.41665 1.00000
Pd12 Pd 0.75000 0.07208 0.91665 1.00000
Pd13 Pd 0.99537 0.43685 0.19564 1.00000
Pd14 Pd 0.00463 0.06315 0.69564 1.00000
Pd15 Pd 0.50463 0.93685 0.30436 1.00000
Pd16 Pd 0.49537 0.56315 0.80436 1.00000
Pd17 Pd 0.00463 0.56315 0.80436 1.00000
Pd18 Pd 0.99537 0.93685 0.30436 1.00000
Pd19 Pd 0.49537 0.06315 0.69564 1.00000
Pd20 Pd 0.50463 0.43685 0.19564 1.00000
