PmPa2H7
Alexandria ALEXAlex-ID: agm006209490 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_525_spg2
PaH3 Pa PmH2
2024-02-07 11:11:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209490).
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 agm006209490
data_agm006209490
_cell_length_a 4.45053
_cell_length_b 3.60071
_cell_length_c 10.54980
_cell_angle_alpha 124.32882
_cell_angle_beta 77.88687
_cell_angle_gamma 128.11937
_cell_volume 107.32081
_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 0.07534 0.96357 0.38615 1.00000
H2 H 0.85468 0.74825 0.60781 1.00000
H3 H 0.36320 0.49945 0.82442 1.00000
H4 H 0.04800 0.21199 0.16948 1.00000
H5 H 0.63912 0.85681 0.49702 1.00000
H6 H 0.54226 0.21712 0.17142 1.00000
H7 H 0.85463 0.49361 0.82169 1.00000
Pa1 Pa 0.26588 0.64596 0.65586 1.00000
Pa2 Pa 0.63647 0.06564 0.33761 1.00000
Pm1 Pm 0.95281 0.35500 0.99670 1.00000
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