CaLaMgNbO6
Alexandria ALEXAlex-ID: agm002174822 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE6_0_spg216
CaLaMgNbO6
2018-06-09 00:38:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002174822).
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 agm002174822
data_agm002174822
_cell_length_a 5.64074
_cell_length_b 5.64572
_cell_length_c 5.65562
_cell_angle_alpha 90.22614
_cell_angle_beta 119.93908
_cell_angle_gamma 119.95095
_cell_volume 127.31538
_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
Mg1 Mg 0.99908 0.99958 0.99872 1.00000
Nb1 Nb 0.00004 0.50253 0.49766 1.00000
Ca1 Ca 0.52092 0.27127 0.77128 1.00000
O1 O 0.99363 0.68550 0.79951 1.00000
O2 O 0.89962 0.15664 0.64198 1.00000
O3 O 0.50666 0.30782 0.19679 1.00000
O4 O 0.49150 0.68648 0.80108 1.00000
O5 O 0.10457 0.84517 0.36278 1.00000
O6 O 0.00012 0.30869 0.19797 1.00000
La1 La 0.48387 0.73633 0.23222 1.00000
Get direct link