Th4MnTl
Alexandria ALEXAlex-ID: agm005809382 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Th3MnTl Th
2023-07-30 11:54:57.963276
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809382).
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 agm005809382
data_agm005809382
_cell_length_a 6.12397
_cell_length_b 7.85220
_cell_length_c 7.85222
_cell_angle_alpha 110.44487
_cell_angle_beta 100.40544
_cell_angle_gamma 100.40521
_cell_volume 335.59746
_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 0.86758 0.63034 0.81533 1.00000
Th2 Th 0.05998 0.94542 0.28369 1.00000
Th3 Th 0.63242 0.18467 0.36966 1.00000
Th4 Th 0.44002 0.71631 0.05458 1.00000
Th5 Th 0.55998 0.28369 0.94542 1.00000
Th6 Th 0.36758 0.81533 0.63034 1.00000
Th7 Th 0.94002 0.05458 0.71631 1.00000
Th8 Th 0.13242 0.36966 0.18467 1.00000
Mn1 Mn 0.25000 0.00357 0.99643 1.00000
Mn2 Mn 0.75000 0.99643 0.00357 1.00000
Tl1 Tl 0.75000 0.61436 0.38564 1.00000
Tl2 Tl 0.25000 0.38564 0.61436 1.00000
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