Er3Th(ScRu3)2
Alexandria ALEXAlex-ID: agm042183307 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_319_spg12
Er5ThRu6 ThSc5Ru6
2025-02-26 02:45:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042183307).
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 agm042183307
data_agm042183307
_cell_length_a 8.18078
_cell_length_b 8.18078
_cell_length_c 6.70736
_cell_angle_alpha 65.92893
_cell_angle_beta 114.07107
_cell_angle_gamma 146.43450
_cell_volume 224.53931
_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 0.67543 0.32457 0.17556 1.00000
Er2 Er 0.32457 0.67543 0.82444 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.33523 0.66477 0.33521 1.00000
Sc2 Sc 0.66477 0.33523 0.66479 1.00000
Ru1 Ru 0.16566 0.83434 0.91785 1.00000
Ru2 Ru 0.49996 0.50004 0.75232 1.00000
Ru3 Ru 0.83434 0.16566 0.08215 1.00000
Ru4 Ru 0.83403 0.16597 0.58566 1.00000
Ru5 Ru 0.50004 0.49996 0.24768 1.00000
Ru6 Ru 0.16597 0.83403 0.41434 1.00000
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