Er4Th3Sc2
Alexandria ALEXAlex-ID: agm005687004 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
Er2Th Th Sc
2023-06-28 04:01:36.246292
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687004).
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 agm005687004
data_agm005687004
_cell_length_a 5.92375
_cell_length_b 9.80971
_cell_length_c 9.80958
_cell_angle_alpha 71.13074
_cell_angle_beta 83.42826
_cell_angle_gamma 83.42712
_cell_volume 534.03610
_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 0.52729 0.07265 0.81592 1.00000
Er2 Er 0.97271 0.18408 0.92735 1.00000
Er3 Er 0.47271 0.92735 0.18408 1.00000
Er4 Er 0.02729 0.81592 0.07265 1.00000
Er5 Er 0.62601 0.83686 0.59417 1.00000
Er6 Er 0.87399 0.40583 0.16314 1.00000
Er7 Er 0.37399 0.16314 0.40583 1.00000
Er8 Er 0.12601 0.59417 0.83686 1.00000
Th1 Th 0.07338 0.95647 0.70213 1.00000
Th2 Th 0.42662 0.29787 0.04352 1.00000
Th3 Th 0.92662 0.04353 0.29787 1.00000
Th4 Th 0.57338 0.70213 0.95648 1.00000
Th5 Th 0.25000 0.38021 0.61979 1.00000
Th6 Th 0.75000 0.61979 0.38021 1.00000
Sc1 Sc 0.19347 0.73413 0.48053 1.00000
Sc2 Sc 0.30653 0.51947 0.26586 1.00000
Sc3 Sc 0.80653 0.26587 0.51947 1.00000
Sc4 Sc 0.69347 0.48053 0.73414 1.00000
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