ErTm5In6
Alexandria ALEXAlex-ID: agm006116136 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
ErTm2In3 TmIn
2023-09-17 02:16:06.370852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116136).
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 agm006116136
data_agm006116136
_cell_length_a 5.27840
_cell_length_b 7.38869
_cell_length_c 8.34210
_cell_angle_alpha 89.99807
_cell_angle_beta 71.55639
_cell_angle_gamma 89.99388
_cell_volume 308.63450
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.66627 0.50000 0.66746 1.00000
Tm2 Tm 0.33323 0.00000 0.33354 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
Tm4 Tm 0.66677 1.00000 0.66646 1.00000
Tm5 Tm 0.33373 0.50000 0.33254 1.00000
In1 In 0.83299 0.74933 0.33403 1.00000
In2 In 0.83298 0.25067 0.33403 1.00000
In3 In 0.50001 0.25032 0.00000 1.00000
In4 In 0.49999 0.74968 1.00000 1.00000
In5 In 0.16702 0.74933 0.66597 1.00000
In6 In 0.16701 0.25067 0.66597 1.00000
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