Na4La3GaO8
Alexandria ALEXAlex-ID: agm004712972 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
NaLaO2 NaGaO2
2022-07-10 06:18:20.318135
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004712972).
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 agm004712972
data_agm004712972
_cell_length_a 6.96543
_cell_length_b 6.81980
_cell_length_c 7.23070
_cell_angle_alpha 119.31744
_cell_angle_beta 118.79366
_cell_angle_gamma 90.00000
_cell_volume 249.64376
_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 0.50000 0.00000 0.00000 1.00000
Na2 Na 0.50000 0.00000 0.50000 1.00000
Na3 Na 0.00000 0.00000 0.00000 1.00000
Na4 Na 0.00000 0.00000 0.50000 1.00000
La1 La 0.50000 0.50000 0.00000 1.00000
La2 La 0.50000 0.50000 0.50000 1.00000
La3 La 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.00000 0.50000 0.00000 1.00000
O1 O 0.18987 0.68601 0.96781 1.00000
O2 O 0.28075 0.76468 0.56149 1.00000
O3 O 0.27295 0.28295 0.54590 1.00000
O4 O 0.77794 0.68601 0.96781 1.00000
O5 O 0.22206 0.31399 0.03219 1.00000
O6 O 0.72705 0.71705 0.45410 1.00000
O7 O 0.71925 0.23532 0.43851 1.00000
O8 O 0.81013 0.31399 0.03219 1.00000
Get direct link