Sr2TmP3Pt7
Alexandria ALEXAlex-ID: agm020065985 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_53_spg22
Sr2TmP3Pt7
2024-11-12 10:43:27.461341
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020065985).
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 agm020065985
data_agm020065985
_cell_length_a 14.08989
_cell_length_b 14.08989
_cell_length_c 14.08989
_cell_angle_alpha 162.99656
_cell_angle_beta 162.99656
_cell_angle_gamma 24.13643
_cell_volume 239.14181
_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
Sr1 Sr 0.58280 0.08280 0.50000 1.00000
Sr2 Sr 0.91720 0.41720 0.50000 1.00000
Tm1 Tm 0.75000 0.25000 0.50000 1.00000
P1 P 0.37215 0.87215 0.50000 1.00000
P2 P 0.12785 0.62785 0.50000 1.00000
P3 P 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.32388 0.32388 0.00000 1.00000
Pt2 Pt 0.82512 0.82512 0.00000 1.00000
Pt3 Pt 0.17488 0.17488 0.00000 1.00000
Pt4 Pt 0.67612 0.67612 0.00000 1.00000
Pt5 Pt 0.45824 0.95824 0.50000 1.00000
Pt6 Pt 0.04176 0.54176 0.50000 1.00000
Pt7 Pt 0.25000 0.75000 0.50000 1.00000
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