Pm3Y8Tm3
Alexandria ALEXAlex-ID: agm005690594 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
Y5Tm PmY2 YTm2
2023-06-29 11:46:22.281793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690594).
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 agm005690594
data_agm005690594
_cell_length_a 5.66278
_cell_length_b 9.67189
_cell_length_c 9.67189
_cell_angle_alpha 101.70855
_cell_angle_beta 72.98195
_cell_angle_gamma 72.98194
_cell_volume 459.59339
_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 0.50000 0.00000 0.00000 1.00000
Pm2 Pm 1.00000 0.81947 0.18053 1.00000
Pm3 Pm 0.00000 0.18053 0.81947 1.00000
Y1 Y 0.65893 0.11988 0.56204 1.00000
Y2 Y 0.34107 0.88012 0.43796 1.00000
Y3 Y 0.65893 0.56204 0.11988 1.00000
Y4 Y 0.34107 0.43796 0.88012 1.00000
Y5 Y 0.84219 0.76044 0.55533 1.00000
Y6 Y 0.15781 0.23956 0.44467 1.00000
Y7 Y 0.84219 0.55533 0.76044 1.00000
Y8 Y 0.15781 0.44467 0.23956 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.79616 0.20394 0.20394 1.00000
Tm3 Tm 0.20384 0.79606 0.79606 1.00000
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