Pm3As2H
Alexandria ALEXAlex-ID: agm003418237 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1316_spg15
PmAs Pm PmH2
2022-02-13 07:57:41.167902
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418237).
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 agm003418237
data_agm003418237
_cell_length_a 5.86402
_cell_length_b 8.33924
_cell_length_c 7.06704
_cell_angle_alpha 107.11699
_cell_angle_beta 114.51210
_cell_angle_gamma 90.00000
_cell_volume 297.53645
_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 0.47273 0.25000 0.00000 1.00000
Pm2 Pm 0.52727 0.75000 1.00000 1.00000
Pm3 Pm 0.16659 0.08397 0.33474 1.00000
Pm4 Pm 0.83185 0.41603 0.66526 1.00000
Pm5 Pm 0.16815 0.58397 0.33474 1.00000
Pm6 Pm 0.83341 0.91603 0.66526 1.00000
As1 As 0.66961 0.58443 0.33784 1.00000
As2 As 0.66823 0.08443 0.33784 1.00000
As3 As 0.33177 0.91557 0.66216 1.00000
As4 As 0.33039 0.41557 0.66216 1.00000
H1 H 0.95456 0.75000 0.00000 1.00000
H2 H 0.04544 0.25000 1.00000 1.00000
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