Pr2Er5Tm12
Alexandria ALEXAlex-ID: agm005663405 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_414_spg2
ErTm2 ErTm5 Pr
2023-06-27 17:09:23.618124
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663405).
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 agm005663405
data_agm005663405
_cell_length_a 6.03578
_cell_length_b 11.70222
_cell_length_c 14.07319
_cell_angle_alpha 141.70264
_cell_angle_beta 79.67456
_cell_angle_gamma 106.70663
_cell_volume 588.22888
_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
Pr1 Pr 0.79472 0.05345 0.97314 1.00000
Pr2 Pr 0.20528 0.94655 0.02686 1.00000
Er1 Er 0.36012 0.68038 0.65511 1.00000
Er2 Er 0.40280 0.64208 0.19160 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Er4 Er 0.59720 0.35792 0.80840 1.00000
Er5 Er 0.63988 0.31962 0.34489 1.00000
Tm1 Tm 0.01189 0.73491 0.12584 1.00000
Tm2 Tm 0.19933 0.47145 0.76136 1.00000
Tm3 Tm 0.78170 0.57470 0.70853 1.00000
Tm4 Tm 0.93748 0.78550 0.60126 1.00000
Tm5 Tm 0.49096 0.88552 0.55423 1.00000
Tm6 Tm 0.38940 0.16348 0.92590 1.00000
Tm7 Tm 0.61060 0.83652 0.07410 1.00000
Tm8 Tm 0.06252 0.21450 0.39874 1.00000
Tm9 Tm 0.50904 0.11448 0.44577 1.00000
Tm10 Tm 0.80067 0.52855 0.23864 1.00000
Tm11 Tm 0.21830 0.42530 0.29147 1.00000
Tm12 Tm 0.98811 0.26509 0.87416 1.00000
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