Tb2ThAs3
Alexandria ALEXAlex-ID: agm005655069 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_65_spg12
TbTh4As5 Tb3ThAs4
2023-08-07 04:47:02.048991
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005655069).
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 agm005655069
data_agm005655069
_cell_length_a 4.15344
_cell_length_b 8.30955
_cell_length_c 10.16120
_cell_angle_alpha 108.07553
_cell_angle_beta 90.00000
_cell_angle_gamma 104.47277
_cell_volume 321.66165
_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
Tb1 Tb 0.16870 0.33741 0.33445 1.00000
Tb2 Tb 0.83130 0.66259 0.66555 1.00000
Tb3 Tb 0.33019 0.66038 0.16447 1.00000
Tb4 Tb 0.66981 0.33962 0.83553 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.00000 0.50000 1.00000
As1 As 0.97070 0.94140 0.19474 1.00000
As2 As 0.02930 0.05860 0.80526 1.00000
As3 As 0.69525 0.39049 0.14001 1.00000
As4 As 0.30475 0.60951 0.85999 1.00000
As5 As 0.35962 0.71923 0.47285 1.00000
As6 As 0.64038 0.28077 0.52715 1.00000
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