Pm3Sm2Zr
Alexandria ALEXAlex-ID: agm017694313 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4742_spg15
Pm PmSm2 Zr
2025-04-14 15:29:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017694313).
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 agm017694313
data_agm017694313
_cell_length_a 9.41444
_cell_length_b 9.41444
_cell_length_c 10.09288
_cell_angle_alpha 57.71543
_cell_angle_beta 122.28457
_cell_angle_gamma 149.15090
_cell_volume 381.85497
_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 0.07903 0.92097 0.69450 1.00000
Pm2 Pm 0.92097 0.07903 0.30550 1.00000
Pm3 Pm 0.58080 0.41920 0.94966 1.00000
Pm4 Pm 0.41920 0.58080 0.05034 1.00000
Pm5 Pm 0.75339 0.24661 0.38183 1.00000
Pm6 Pm 0.24661 0.75339 0.61817 1.00000
Sm1 Sm 0.91810 0.08190 0.78216 1.00000
Sm2 Sm 0.08190 0.91810 0.21784 1.00000
Sm3 Sm 0.74706 0.25294 0.86522 1.00000
Sm4 Sm 0.25294 0.74706 0.13478 1.00000
Zr1 Zr 0.42294 0.57706 0.53935 1.00000
Zr2 Zr 0.57706 0.42294 0.46065 1.00000
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