PmY2Sb3
Alexandria ALEXAlex-ID: agm034167668 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4637_spg74
PmY2Sb3
2024-12-12 09:33:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034167668).
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 agm034167668
data_agm034167668
_cell_length_a 9.88687
_cell_length_b 9.88687
_cell_length_c 8.84064
_cell_angle_alpha 77.15950
_cell_angle_beta 102.84050
_cell_angle_gamma 154.08018
_cell_volume 367.78866
_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 0.83394 0.16606 0.66727 1.00000
Pm2 Pm 0.16606 0.83394 0.33273 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.50000 0.50000 0.50000 1.00000
Y3 Y 0.83248 0.16752 0.16618 1.00000
Y4 Y 0.16752 0.83248 0.83382 1.00000
Sb1 Sb 0.33377 0.66623 0.92139 1.00000
Sb2 Sb 0.66532 0.33468 0.58696 1.00000
Sb3 Sb 0.66623 0.33377 0.07861 1.00000
Sb4 Sb 0.99797 0.00203 0.24888 1.00000
Sb5 Sb 0.00203 0.99797 0.75112 1.00000
Sb6 Sb 0.33468 0.66532 0.41304 1.00000
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