Pm2TlCu2
Alexandria ALEXAlex-ID: agm044478199 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_4_spg65
Pm2TlCu2
2024-12-26 11:46:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044478199).
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
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# CIF generated by HEAS from Alexandria entry agm044478199
data_agm044478199
_cell_length_a 7.52801
_cell_length_b 7.52801
_cell_length_c 3.68966
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 146.12070
_cell_volume 116.55973
_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 0.36607 0.63393 0.50000 1.00000
Pm2 Pm 0.63393 0.36607 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.79541 0.20459 0.00000 1.00000
Cu2 Cu 0.20459 0.79541 0.00000 1.00000
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