PmYTm
Alexandria ALEXAlex-ID: agm005580554 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1446_spg9
PmY2 PmTm2
2023-06-18 14:18:53.219414
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005580554).
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 agm005580554
data_agm005580554
_cell_length_a 6.30104
_cell_length_b 6.74355
_cell_length_c 6.30969
_cell_angle_alpha 89.96888
_cell_angle_beta 119.96255
_cell_angle_gamma 62.16729
_cell_volume 195.61270
_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 0.07771 0.55121 0.42393 1.00000
Pm2 Pm 0.74476 0.04883 0.91976 1.00000
Y1 Y 0.40715 0.05130 0.25429 1.00000
Y2 Y 0.41533 0.54871 0.08943 1.00000
Tm1 Tm 0.08008 0.04989 0.59120 1.00000
Tm2 Tm 0.74240 0.55012 0.75252 1.00000
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