Pm3ScIn3
Alexandria ALEXAlex-ID: agm003545491 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_296_spg12
Sc2In Pm4ScIn3 PmIn
2022-04-04 07:49:33.425335
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545491).
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 agm003545491
data_agm003545491
_cell_length_a 6.65955
_cell_length_b 6.65955
_cell_length_c 9.67652
_cell_angle_alpha 91.45194
_cell_angle_beta 91.45194
_cell_angle_gamma 104.41060
_cell_volume 415.29207
_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 0.59696 0.59696 0.31333 1.00000
Pm2 Pm 0.17966 0.82034 0.50000 1.00000
Pm3 Pm 0.82034 0.17966 0.50000 1.00000
Pm4 Pm 0.24258 0.75742 0.00000 1.00000
Pm5 Pm 0.75742 0.24258 0.00000 1.00000
Pm6 Pm 0.40304 0.40304 0.68667 1.00000
Sc1 Sc 0.72323 0.72323 0.95939 1.00000
Sc2 Sc 0.27677 0.27677 0.04061 1.00000
In1 In 0.97623 0.97623 0.22389 1.00000
In2 In 0.93937 0.52739 0.74097 1.00000
In3 In 0.52739 0.93937 0.74097 1.00000
In4 In 0.06063 0.47261 0.25903 1.00000
In5 In 0.47261 0.06063 0.25903 1.00000
In6 In 0.02377 0.02377 0.77611 1.00000
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