Er2CrGe5Ru2
Alexandria ALEXAlex-ID: agm044667641 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_56_spg15
Er2Ge5Ru3 Er5(Ge7Ru2)2 Cr3Ge Er3Ge4
2024-08-24 23:43:49.295747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044667641).
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 agm044667641
data_agm044667641
_cell_length_a 8.50751
_cell_length_b 8.50751
_cell_length_c 8.50751
_cell_angle_alpha 142.00061
_cell_angle_beta 108.78978
_cell_angle_gamma 83.67811
_cell_volume 347.80880
_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 0.91161 0.14201 0.76960 1.00000
Er2 Er 0.37241 0.64201 0.73040 1.00000
Er3 Er 0.08839 0.85799 0.23040 1.00000
Er4 Er 0.62759 0.35799 0.26960 1.00000
Cr1 Cr 0.50000 0.75000 0.25000 1.00000
Cr2 Cr 0.50000 0.25000 0.75000 1.00000
Ge1 Ge 0.23510 0.41483 0.82028 1.00000
Ge2 Ge 0.59455 0.91483 0.67972 1.00000
Ge3 Ge 0.76490 0.58517 0.17972 1.00000
Ge4 Ge 0.40545 0.08517 0.32028 1.00000
Ge5 Ge 0.00000 0.25000 0.25000 1.00000
Ge6 Ge 0.00000 0.75000 0.75000 1.00000
Ge7 Ge 0.70324 0.95324 0.25000 1.00000
Ge8 Ge 0.29676 0.04676 0.75000 1.00000
Ge9 Ge 0.29676 0.54676 0.25000 1.00000
Ge10 Ge 0.70324 0.45324 0.75000 1.00000
Ru1 Ru 0.94080 0.35084 0.58996 1.00000
Ru2 Ru 0.76088 0.85084 0.91004 1.00000
Ru3 Ru 0.05920 0.64916 0.41004 1.00000
Ru4 Ru 0.23912 0.14916 0.08996 1.00000
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