ErTm7Sc4
Alexandria ALEXAlex-ID: agm003668044 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
ErTm15 ErTm5 Sc
2022-04-20 14:36:37.771177
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668044).
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 agm003668044
data_agm003668044
_cell_length_a 5.67040
_cell_length_b 8.91088
_cell_length_c 8.19848
_cell_angle_alpha 65.87513
_cell_angle_beta 69.76812
_cell_angle_gamma 71.44752
_cell_volume 347.10070
_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 0.79383 0.88063 0.53171 1.00000
Tm2 Tm 0.20617 0.11937 0.46829 1.00000
Tm3 Tm 0.08646 0.55877 0.26831 1.00000
Tm4 Tm 0.91354 0.44123 0.73169 1.00000
Tm5 Tm 0.24638 0.71914 0.78810 1.00000
Tm6 Tm 0.50000 0.00000 0.00000 1.00000
Tm7 Tm 0.75362 0.28086 0.21190 1.00000
Sc1 Sc 0.55214 0.29564 0.60008 1.00000
Sc2 Sc 0.44786 0.70436 0.39992 1.00000
Sc3 Sc 0.67032 0.65511 0.00426 1.00000
Sc4 Sc 0.32968 0.34489 0.99574 1.00000
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