Er5Mg3Ru
Alexandria ALEXAlex-ID: agm072731397 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1265_spg8
Er4MgRu ErMg3 ErMg
2024-09-24 15:49:25.869185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072731397).
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 agm072731397
data_agm072731397
_cell_length_a 6.21775
_cell_length_b 5.27118
_cell_length_c 8.19240
_cell_angle_alpha 108.56248
_cell_angle_beta 112.11391
_cell_angle_gamma 90.19544
_cell_volume 233.47877
_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 0.85066 0.61235 0.44838 1.00000
Er2 Er 0.26451 0.44964 0.12418 1.00000
Er3 Er 0.67935 0.32458 0.86681 1.00000
Er4 Er 0.95433 0.98278 0.18781 1.00000
Er5 Er 0.34672 0.85178 0.92688 1.00000
Mg1 Mg 0.41079 0.66412 0.55391 1.00000
Mg2 Mg 0.53985 0.08213 0.38941 1.00000
Mg3 Mg 0.08018 0.22595 0.67810 1.00000
Ru1 Ru 0.87360 0.80666 0.82453 1.00000
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