PmTlC
Alexandria ALEXAlex-ID: agm005681248 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_180_spg12
Pm3Tl5 Pm2TlC2 C
2023-06-17 04:53:22.823676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681248).
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 agm005681248
data_agm005681248
_cell_length_a 3.77099
_cell_length_b 4.03508
_cell_length_c 10.46523
_cell_angle_alpha 87.12215
_cell_angle_beta 89.96776
_cell_angle_gamma 117.82306
_cell_volume 140.60244
_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
Pm1 Pm 0.14158 0.28326 0.85458 1.00000
Pm2 Pm 0.85842 0.71674 0.14542 1.00000
Tl1 Tl 0.16520 0.32980 0.39158 1.00000
Tl2 Tl 0.83480 0.67020 0.60842 1.00000
C1 C 0.57304 0.14593 0.03709 1.00000
C2 C 0.42696 0.85407 0.96291 1.00000
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