Ac2PmP3
Alexandria ALEXAlex-ID: agm005657986 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
PmP AcP
2023-08-24 08:25:13.604756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657986).
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 agm005657986
data_agm005657986
_cell_length_a 7.52886
_cell_length_b 7.52886
_cell_length_c 13.74287
_cell_angle_alpha 100.52143
_cell_angle_beta 100.52142
_cell_angle_gamma 109.47330
_cell_volume 696.73316
_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
Ac1 Ac 0.99953 0.49953 0.99905 1.00000
Ac2 Ac 0.41699 0.41699 0.83398 1.00000
Ac3 Ac 0.83301 0.33301 0.66602 1.00000
Ac4 Ac 0.25047 0.25047 0.50095 1.00000
Ac5 Ac 0.74953 0.74953 0.49905 1.00000
Ac6 Ac 0.66699 0.16699 0.33398 1.00000
Ac7 Ac 0.58301 0.58301 0.16602 1.00000
Ac8 Ac 0.50047 0.00047 0.00095 1.00000
Pm1 Pm 0.91650 0.91650 0.83300 1.00000
Pm2 Pm 0.33350 0.83350 0.66700 1.00000
Pm3 Pm 0.16650 0.66650 0.33300 1.00000
Pm4 Pm 0.08350 0.08350 0.16700 1.00000
P1 P 0.16468 0.67593 0.82886 1.00000
P2 P 0.66418 0.15293 0.82886 1.00000
P3 P 0.08532 0.07406 0.67114 1.00000
P4 P 0.58582 0.59707 0.67114 1.00000
P5 P 0.01197 0.51197 0.50000 1.00000
P6 P 0.48803 0.98803 0.50000 1.00000
P7 P 0.40293 0.41418 0.32886 1.00000
P8 P 0.92594 0.91468 0.32886 1.00000
P9 P 0.84707 0.33582 0.17114 1.00000
P10 P 0.32407 0.83532 0.17114 1.00000
P11 P 0.23803 0.23803 1.00000 1.00000
P12 P 0.76197 0.76197 0.00000 1.00000
