ErTh5In6
Alexandria ALEXAlex-ID: agm015502013 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Er3ThIn4 ThIn
2025-02-05 11:06:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015502013).
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 agm015502013
data_agm015502013
_cell_length_a 7.80889
_cell_length_b 7.80889
_cell_length_c 9.23538
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.11036
_cell_volume 338.05241
_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 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.83312 0.16688 0.00000 1.00000
Th2 Th 0.16606 0.83394 0.50000 1.00000
Th3 Th 0.50000 0.50000 0.00000 1.00000
Th4 Th 0.83394 0.16606 0.50000 1.00000
Th5 Th 0.16688 0.83312 0.00000 1.00000
In1 In 0.66451 0.33549 0.74674 1.00000
In2 In 0.66451 0.33549 0.25326 1.00000
In3 In 0.00000 0.00000 0.25352 1.00000
In4 In 0.00000 0.00000 0.74648 1.00000
In5 In 0.33549 0.66451 0.74674 1.00000
In6 In 0.33549 0.66451 0.25326 1.00000
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