Na3(GaP2)2
Alexandria ALEXAlex-ID: agm005687535 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_599_spg12
Na3GaP2 GaP NaP
2023-06-30 20:47:43.182567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687535).
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 agm005687535
data_agm005687535
_cell_length_a 3.86740
_cell_length_b 7.00138
_cell_length_c 8.27898
_cell_angle_alpha 117.18075
_cell_angle_beta 103.49021
_cell_angle_gamma 90.01798
_cell_volume 192.42800
_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
Na1 Na 0.15408 0.52128 0.30835 1.00000
Na2 Na 0.84592 0.47872 0.69165 1.00000
Na3 Na 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.66570 0.93291 0.33124 1.00000
Ga2 Ga 0.33430 0.06709 0.66876 1.00000
P1 P 0.50363 0.65571 0.00724 1.00000
P2 P 0.20698 0.16939 0.41367 1.00000
P3 P 0.49637 0.34429 0.99276 1.00000
P4 P 0.79302 0.83061 0.58633 1.00000
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