PmTmTl4
Alexandria ALEXAlex-ID: agm003752007 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
TmTl PmTl3
2022-04-18 20:49:15.840037
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752007).
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 agm003752007
data_agm003752007
_cell_length_a 5.12521
_cell_length_b 5.12735
_cell_length_c 7.42420
_cell_angle_alpha 89.97380
_cell_angle_beta 89.97908
_cell_angle_gamma 90.00449
_cell_volume 195.09877
_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 0.50128 0.49728 0.99816 1.00000
Tm1 Tm 0.00130 0.99735 0.49817 1.00000
Tl1 Tl 0.50141 0.99706 0.26168 1.00000
Tl2 Tl 0.50116 0.99744 0.73458 1.00000
Tl3 Tl 0.00145 0.49713 0.73434 1.00000
Tl4 Tl 0.00118 0.49746 0.26190 1.00000
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