Pm2NpAs3
Alexandria ALEXAlex-ID: agm005654837 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
NpAs PmAs
2023-08-07 04:41:21.683339
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654837).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005654837
data_agm005654837
_cell_length_a 4.19540
_cell_length_b 4.19539
_cell_length_c 9.36151
_cell_angle_alpha 102.94900
_cell_angle_beta 102.94692
_cell_angle_gamma 90.00030
_cell_volume 156.28382
_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 0.10193 0.10322 0.20924 1.00000
Pm2 Pm 0.76666 0.76796 0.53870 1.00000
Np1 Np 0.43412 0.43588 0.87396 1.00000
As1 As 0.93408 0.93591 0.87394 1.00000
As2 As 0.27077 0.27207 0.54693 1.00000
As3 As 0.59779 0.59908 0.20097 1.00000
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