Pm4MgH2
Alexandria ALEXAlex-ID: agm095974396 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_74_spg44
PmMg Pm PmH2
2025-04-10 19:27:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095974396).
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
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# CIF generated by HEAS from Alexandria entry agm095974396
data_agm095974396
_cell_length_a 3.70331
_cell_length_b 4.97601
_cell_length_c 9.46835
_cell_angle_alpha 76.01641
_cell_angle_beta 78.72047
_cell_angle_gamma 89.97734
_cell_volume 165.83761
_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 0.63366 0.57820 0.23279 1.00000
Pm2 Pm 0.82200 0.80594 0.85493 1.00000
Pm3 Pm 0.02903 0.98434 0.44351 1.00000
Pm4 Pm 0.43323 0.39088 0.63427 1.00000
Mg1 Mg 0.22543 0.18996 0.04618 1.00000
H1 H 0.32162 0.05972 0.85538 1.00000
H2 H 0.03503 0.49096 0.43294 1.00000
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