Th7Sc5
Alexandria ALEXAlex-ID: agm010143469 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_461_spg8
Sc Th
2024-07-06 00:28:10.294458
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010143469).
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 agm010143469
data_agm010143469
_cell_length_a 9.10438
_cell_length_b 9.10438
_cell_length_c 13.66353
_cell_angle_alpha 55.45440
_cell_angle_beta 55.45440
_cell_angle_gamma 22.22958
_cell_volume 349.67808
_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
Th1 Th 0.97148 0.97148 0.98943 1.00000
Th2 Th 0.40399 0.40399 0.24363 1.00000
Th3 Th 0.84431 0.84431 0.50216 1.00000
Th4 Th 0.28084 0.28084 0.75776 1.00000
Th5 Th 0.07220 0.07220 0.25003 1.00000
Th6 Th 0.51178 0.51178 0.50797 1.00000
Th7 Th 0.17913 0.17913 0.49667 1.00000
Sc1 Sc 0.62923 0.62923 0.00574 1.00000
Sc2 Sc 0.95288 0.95288 0.75836 1.00000
Sc3 Sc 0.29473 0.29473 0.00187 1.00000
Sc4 Sc 0.73678 0.73678 0.24605 1.00000
Sc5 Sc 0.62264 0.62264 0.74033 1.00000
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