MgBeCl
Alexandria ALEXAlex-ID: agm002037745 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_143_spg164
MgBe13 Mg MgCl2
2021-09-29 04:24:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002037745).
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 agm002037745
data_agm002037745
_cell_length_a 3.64723
_cell_length_b 3.64602
_cell_length_c 10.29824
_cell_angle_alpha 89.38846
_cell_angle_beta 89.53975
_cell_angle_gamma 59.97895
_cell_volume 118.56534
_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
Be1 Be 0.66671 0.66661 0.49894 1.00000
Be2 Be 0.33329 0.33339 0.50106 1.00000
Mg1 Mg 0.00136 0.00358 0.31946 1.00000
Mg2 Mg 0.99864 0.99642 0.68054 1.00000
Cl1 Cl 0.33040 0.32580 0.82048 1.00000
Cl2 Cl 0.66960 0.67420 0.17952 1.00000
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