Pm5SmYTm2
Alexandria ALEXAlex-ID: agm005153809 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
PmY2 Pm5Y PmTm2 Pm2Sm3Tm
2023-01-19 20:47:42.520692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153809).
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 agm005153809
data_agm005153809
_cell_length_a 5.64110
_cell_length_b 10.57072
_cell_length_c 10.67023
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.47554
_cell_volume 613.20321
_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 0.38983 0.77965 0.02465 1.00000
Pm2 Pm 0.72009 0.44018 0.80984 1.00000
Pm3 Pm 0.47981 0.95963 0.74204 1.00000
Pm4 Pm 0.29766 0.59531 0.70587 1.00000
Pm5 Pm 0.98429 0.96859 0.52099 1.00000
Pm6 Pm 0.61017 0.22035 0.52465 1.00000
Pm7 Pm 0.27991 0.55982 0.30984 1.00000
Pm8 Pm 0.52019 0.04037 0.24204 1.00000
Pm9 Pm 0.70234 0.40469 0.20587 1.00000
Pm10 Pm 0.01571 0.03141 0.02099 1.00000
Sm1 Sm 0.79974 0.59948 0.51099 1.00000
Sm2 Sm 0.20026 0.40052 0.01099 1.00000
Y1 Y 0.59006 0.18011 0.95682 1.00000
Y2 Y 0.40994 0.81989 0.45682 1.00000
Tm1 Tm 0.88482 0.76964 0.81446 1.00000
Tm2 Tm 0.11120 0.22241 0.73830 1.00000
Tm3 Tm 0.11518 0.23036 0.31446 1.00000
Tm4 Tm 0.88880 0.77759 0.23830 1.00000
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