Pm2(H3W)3
Alexandria ALEXAlex-ID: agm006197818 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_519_spg71
PmH3 H2 W
2024-02-02 07:38:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197818).
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 agm006197818
data_agm006197818
_cell_length_a 3.70757
_cell_length_b 6.59474
_cell_length_c 6.23653
_cell_angle_alpha 83.57783
_cell_angle_beta 72.77737
_cell_angle_gamma 106.46955
_cell_volume 136.44457
_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 0.55613 0.75154 0.63765 1.00000
Pm2 Pm 0.44387 0.24846 0.36234 1.00000
W1 W 0.24999 0.68217 0.18222 1.00000
W2 W 1.00000 0.00000 0.00000 1.00000
W3 W 0.75000 0.31783 0.81778 1.00000
H1 H 0.66885 0.63142 0.29278 1.00000
H2 H 0.89242 0.06868 0.28456 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.10758 0.93132 0.71544 1.00000
H5 H 0.79288 0.17419 0.58854 1.00000
H6 H 0.20712 0.82581 0.41146 1.00000
H7 H 0.33115 0.36858 0.70722 1.00000
H8 H 0.00001 0.50001 0.00000 1.00000
H9 H 0.50000 0.50000 1.00000 1.00000
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