LaEr2Mg9
Alexandria ALEXAlex-ID: agm005944707 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_0_spg166
ErMg3 LaMg3
2023-07-24 11:09:03.801473
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005944707).
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 agm005944707
data_agm005944707
_cell_length_a 6.05316
_cell_length_b 6.05316
_cell_length_c 10.40332
_cell_angle_alpha 73.08672
_cell_angle_beta 73.08672
_cell_angle_gamma 59.99999
_cell_volume 310.93178
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.85441 0.85441 0.43677 1.00000
Er2 Er 0.14559 0.14559 0.56323 1.00000
Mg1 Mg 0.66583 0.66583 0.00250 1.00000
Mg2 Mg 0.33417 0.33417 0.99750 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 0.41202 0.41202 0.25573 1.00000
Mg5 Mg 0.92024 0.41202 0.25573 1.00000
Mg6 Mg 0.41202 0.92024 0.25573 1.00000
Mg7 Mg 0.58798 0.58798 0.74427 1.00000
Mg8 Mg 0.58798 0.07976 0.74427 1.00000
Mg9 Mg 0.07976 0.58798 0.74427 1.00000
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