Pm4ScTl
Alexandria ALEXAlex-ID: agm003736737 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1218_spg15
PmScTl Pm
2022-04-19 00:24:50.158085
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736737).
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 agm003736737
data_agm003736737
_cell_length_a 6.47389
_cell_length_b 9.03447
_cell_length_c 8.36336
_cell_angle_alpha 112.97584
_cell_angle_beta 100.25436
_cell_angle_gamma 112.76718
_cell_volume 382.79528
_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 0.06125 0.18313 0.77781 1.00000
Pm2 Pm 0.75785 0.71030 0.61591 1.00000
Pm3 Pm 0.21656 0.59467 0.77781 1.00000
Pm4 Pm 0.35806 0.90562 0.61591 1.00000
Pm5 Pm 0.64194 0.09438 0.38409 1.00000
Pm6 Pm 0.78344 0.40533 0.22219 1.00000
Pm7 Pm 0.24215 0.28970 0.38409 1.00000
Pm8 Pm 0.93875 0.81687 0.22219 1.00000
Sc1 Sc 0.34510 0.59510 0.19019 1.00000
Sc2 Sc 0.65490 0.40490 0.80981 1.00000
Tl1 Tl 0.25158 0.00158 0.00316 1.00000
Tl2 Tl 0.74842 0.99842 0.99684 1.00000
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