Pm3GaCl3
Alexandria ALEXAlex-ID: agm044499527 · Space group: I4_132 (#214)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_637_spg5
Pm3GaCl3
2025-02-27 03:41:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044499527).
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 agm044499527
data_agm044499527
_cell_length_a 10.11490
_cell_length_b 10.11490
_cell_length_c 10.11490
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 796.64027
_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 0.49619 0.24619 0.49238 1.00000
Pm2 Pm 0.00762 0.25381 0.00381 1.00000
Pm3 Pm 0.00381 0.49619 0.75000 1.00000
Pm4 Pm 0.75000 0.00381 0.49619 1.00000
Pm5 Pm 0.24619 0.49238 0.49619 1.00000
Pm6 Pm 0.00381 0.00762 0.25381 1.00000
Pm7 Pm 0.49238 0.49619 0.24619 1.00000
Pm8 Pm 0.75000 0.24619 0.25381 1.00000
Pm9 Pm 0.25381 0.00381 0.00762 1.00000
Pm10 Pm 0.24619 0.25381 0.75000 1.00000
Pm11 Pm 0.25381 0.75000 0.24619 1.00000
Pm12 Pm 0.49619 0.75000 0.00381 1.00000
Ga1 Ga 0.50000 0.00000 0.25000 1.00000
Ga2 Ga 0.25000 0.50000 0.00000 1.00000
Ga3 Ga 0.25000 0.25000 0.25000 1.00000
Ga4 Ga 0.00000 0.25000 0.50000 1.00000
Cl1 Cl 0.99816 0.99632 0.74816 1.00000
Cl2 Cl 0.75184 0.74816 0.25000 1.00000
Cl3 Cl 0.74816 0.99816 0.99632 1.00000
Cl4 Cl 0.25000 0.99816 0.50184 1.00000
Cl5 Cl 0.74816 0.25000 0.75184 1.00000
Cl6 Cl 0.50184 0.25000 0.99816 1.00000
Cl7 Cl 0.25000 0.75184 0.74816 1.00000
Cl8 Cl 0.50368 0.50184 0.75184 1.00000
Cl9 Cl 0.99816 0.50184 0.25000 1.00000
Cl10 Cl 0.50184 0.75184 0.50368 1.00000
Cl11 Cl 0.75184 0.50368 0.50184 1.00000
Cl12 Cl 0.99632 0.74816 0.99816 1.00000
