Er4MgSc
Alexandria ALEXAlex-ID: agm003736751 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1401_spg38
Er2Mg Er Sc
2022-05-02 06:41:28.406763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736751).
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 agm003736751
data_agm003736751
_cell_length_a 7.58941
_cell_length_b 7.58941
_cell_length_c 4.84508
_cell_angle_alpha 89.99904
_cell_angle_beta 89.99904
_cell_angle_gamma 37.34094
_cell_volume 169.27306
_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
Er1 Er 0.66306 0.66306 0.99999 1.00000
Er2 Er 0.33694 0.33694 0.00001 1.00000
Er3 Er 0.16541 0.16541 0.50001 1.00000
Er4 Er 0.83459 0.83459 0.49999 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
