PmNp2H7
Alexandria ALEXAlex-ID: agm006209484 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_753_spg1
Pm4H9 NpH3 Np
2024-02-06 17:30:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209484).
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 agm006209484
data_agm006209484
_cell_length_a 4.51198
_cell_length_b 6.75966
_cell_length_c 6.75905
_cell_angle_alpha 145.89685
_cell_angle_beta 70.50783
_cell_angle_gamma 109.49015
_cell_volume 108.31586
_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 0.08001 0.99708 0.42460 1.00000
H2 H 0.86646 0.78347 0.63810 1.00000
H3 H 0.40049 0.55043 0.85037 1.00000
H4 H 0.05935 0.20957 0.19179 1.00000
H5 H 0.47321 0.60479 0.24595 1.00000
H6 H 0.54604 0.20959 0.19176 1.00000
H7 H 0.88712 0.55045 0.85035 1.00000
Np1 Np 0.30410 0.70848 0.68787 1.00000
Np2 Np 0.64238 0.04656 0.34934 1.00000
Pm1 Pm 0.97324 0.39696 0.03804 1.00000
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