LaNp7P8
Alexandria ALEXAlex-ID: agm044478318 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C8_4_spg225
NpP LaP
2025-02-22 01:26:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044478318).
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 agm044478318
data_agm044478318
_cell_length_a 8.00393
_cell_length_b 8.00393
_cell_length_c 8.00393
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 362.57218
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
Np2 Np 0.50000 0.00000 0.00000 1.00000
Np3 Np 0.50000 0.50000 0.00000 1.00000
Np4 Np 0.50000 0.00000 0.50000 1.00000
Np5 Np 0.00000 0.00000 0.50000 1.00000
Np6 Np 0.00000 0.50000 0.00000 1.00000
Np7 Np 0.00000 0.50000 0.50000 1.00000
P1 P 0.25782 0.74218 0.25782 1.00000
P2 P 0.25782 0.25782 0.74218 1.00000
P3 P 0.75000 0.75000 0.75000 1.00000
P4 P 0.25782 0.74218 0.74218 1.00000
P5 P 0.74218 0.25782 0.25782 1.00000
P6 P 0.25000 0.25000 0.25000 1.00000
P7 P 0.74218 0.74218 0.25782 1.00000
P8 P 0.74218 0.25782 0.74218 1.00000
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