La4ErMg5
Alexandria ALEXAlex-ID: agm015521171 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_70_spg2
Er2Mg LaMg3 LaMg
2025-01-05 18:22:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015521171).
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
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# CIF generated by HEAS from Alexandria entry agm015521171
data_agm015521171
_cell_length_a 8.78113
_cell_length_b 8.78113
_cell_length_c 6.79895
_cell_angle_alpha 74.94391
_cell_angle_beta 105.05609
_cell_angle_gamma 143.24883
_cell_volume 301.70335
_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 0.59977 0.40023 0.89169 1.00000
La2 La 0.19701 0.80299 0.30575 1.00000
La3 La 0.80299 0.19701 0.69425 1.00000
La4 La 0.40023 0.59977 0.10831 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.19816 0.80184 0.80143 1.00000
Mg2 Mg 0.80184 0.19816 0.19857 1.00000
Mg3 Mg 0.40340 0.59660 0.59920 1.00000
Mg4 Mg 0.00000 0.00000 0.00000 1.00000
Mg5 Mg 0.59660 0.40340 0.40080 1.00000
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