CaMgBi
Alexandria ALEXAlex-ID: agm005676761 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_27_spg139
Ca2MgBi2 Mg
2023-06-19 10:32:29.508753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676761).
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 agm005676761
data_agm005676761
_cell_length_a 4.56955
_cell_length_b 4.56955
_cell_length_c 8.87950
_cell_angle_alpha 104.91296
_cell_angle_beta 104.91297
_cell_angle_gamma 89.99057
_cell_volume 172.69768
_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 0.33428 0.33428 0.66855 1.00000
Ca2 Ca 0.66572 0.66572 0.33145 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Mg2 Mg 0.00000 0.50000 0.00000 1.00000
Bi1 Bi 0.86580 0.86580 0.73160 1.00000
Bi2 Bi 0.13420 0.13420 0.26840 1.00000
