Ca2La(MgSb2)2
Alexandria ALEXAlex-ID: agm011497331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_165_spg12
Ca21(Mg2Sb9)2 LaSb2 Ca(MgSb)2 LaSb
2024-04-22 17:07:26.305145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011497331).
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 agm011497331
data_agm011497331
_cell_length_a 8.59413
_cell_length_b 8.59413
_cell_length_c 7.62851
_cell_angle_alpha 68.47461
_cell_angle_beta 68.47461
_cell_angle_gamma 31.14304
_cell_volume 269.42932
_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
Ca1 Ca 0.13360 0.13360 0.43253 1.00000
Ca2 Ca 0.86640 0.86640 0.56747 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.67535 0.67535 0.01022 1.00000
Mg2 Mg 0.32465 0.32465 0.98978 1.00000
Sb1 Sb 0.21566 0.21566 0.76595 1.00000
Sb2 Sb 0.78434 0.78434 0.23405 1.00000
Sb3 Sb 0.49954 0.49954 0.29656 1.00000
Sb4 Sb 0.50046 0.50046 0.70344 1.00000
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