Pm2ZnH7
Alexandria ALEXAlex-ID: agm006202092 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
ZnH2 PmH3 Zn
2024-02-01 14:55:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006202092).
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 agm006202092
data_agm006202092
_cell_length_a 4.99017
_cell_length_b 4.98950
_cell_length_c 6.98841
_cell_angle_alpha 110.80230
_cell_angle_beta 69.31042
_cell_angle_gamma 120.01206
_cell_volume 137.49190
_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
H1 H 0.10393 0.76037 0.14169 1.00000
H2 H 0.84247 0.95032 0.85213 1.00000
H3 H 0.37792 0.48602 0.85237 1.00000
H4 H 0.10398 0.22550 0.14170 1.00000
H5 H 0.47257 0.85794 0.49690 1.00000
H6 H 0.56889 0.22515 0.14136 1.00000
H7 H 0.84280 0.48543 0.85173 1.00000
Pm1 Pm 0.36004 0.96805 0.83380 1.00000
Pm2 Pm 0.58644 0.74319 0.16001 1.00000
Zn1 Zn 0.97334 0.35542 0.99649 1.00000
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