Pm(Cu2H3)2
Alexandria ALEXAlex-ID: agm007337443 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_113_spg12
CuH4 PmH3 Cu
2024-10-22 08:56:38.274440
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007337443).
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 agm007337443
data_agm007337443
_cell_length_a 4.39294
_cell_length_b 4.49457
_cell_length_c 5.93652
_cell_angle_alpha 109.03597
_cell_angle_beta 110.42252
_cell_angle_gamma 92.84825
_cell_volume 102.05460
_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 0.87961 0.03947 0.13173 1.00000
Cu1 Cu 0.28408 0.44712 0.87494 1.00000
Cu2 Cu 0.44111 0.64730 0.37067 1.00000
Cu3 Cu 0.08843 0.85063 0.64030 1.00000
Cu4 Cu 0.66069 0.30154 0.63360 1.00000
H1 H 0.49586 0.15298 0.80562 1.00000
H2 H 0.98504 0.18450 0.57142 1.00000
H3 H 0.39005 0.77578 0.12022 1.00000
H4 H 0.46143 0.25775 0.31366 1.00000
H5 H 0.77572 0.70570 0.70554 1.00000
H6 H 0.03803 0.63715 0.33230 1.00000
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