PmNp2PaAs4
Alexandria ALEXAlex-ID: agm004840596 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
Np5Pa3As8 Np3PaAs4 Pm5PaAs6
2022-07-13 07:26:59.940568
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004840596).
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 agm004840596
data_agm004840596
_cell_length_a 4.14387
_cell_length_b 7.18553
_cell_length_c 7.14483
_cell_angle_alpha 109.55017
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 200.47857
_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 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.50000 0.00000 0.50000 1.00000
Np2 Np 0.00000 0.50000 0.50000 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
As1 As 0.50000 0.25743 0.25548 1.00000
As2 As 0.50000 0.74257 0.74452 1.00000
As3 As 0.00000 0.25404 0.74915 1.00000
As4 As 0.00000 0.74596 0.25085 1.00000
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