Pm3Mg7Tl4
Alexandria ALEXAlex-ID: agm005704084 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
PmMg3Tl2 PmMgTl Mg
2023-06-29 17:10:45.717599
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704084).
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 agm005704084
data_agm005704084
_cell_length_a 4.75154
_cell_length_b 9.02627
_cell_length_c 9.26070
_cell_angle_alpha 72.80967
_cell_angle_beta 75.13495
_cell_angle_gamma 74.73961
_cell_volume 359.10643
_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 0.29899 0.19169 0.21032 1.00000
Pm2 Pm 0.70101 0.80831 0.78968 1.00000
Pm3 Pm 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.33304 0.82050 0.51342 1.00000
Mg2 Mg 0.49013 0.19581 0.82394 1.00000
Mg3 Mg 0.84160 0.38426 0.93254 1.00000
Mg4 Mg 0.66696 0.17950 0.48658 1.00000
Mg5 Mg 0.15840 0.61574 0.06746 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.50987 0.80419 0.17606 1.00000
Tl1 Tl 0.64614 0.46144 0.24628 1.00000
Tl2 Tl 0.35386 0.53856 0.75372 1.00000
Tl3 Tl 0.87541 0.90802 0.34116 1.00000
Tl4 Tl 0.12459 0.09198 0.65884 1.00000
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