Y2Er12Tm
Alexandria ALEXAlex-ID: agm005774810 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_77_spg12
YEr5 Er5Tm Y5Er
2023-07-18 22:50:51.227982
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774810).
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 agm005774810
data_agm005774810
_cell_length_a 6.63543
_cell_length_b 6.63540
_cell_length_c 25.52320
_cell_angle_alpha 78.03481
_cell_angle_beta 78.03353
_cell_angle_gamma 115.55072
_cell_volume 934.08330
_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
Y1 Y 0.67108 0.17109 0.28456 1.00000
Y2 Y 0.17767 0.67768 0.28682 1.00000
Y3 Y 0.82892 0.32891 0.71544 1.00000
Y4 Y 0.32233 0.82232 0.71318 1.00000
Er1 Er 0.44788 0.45901 0.80039 1.00000
Er2 Er 0.95901 0.94787 0.80039 1.00000
Er3 Er 0.66772 0.72600 0.93550 1.00000
Er4 Er 0.38885 0.88885 0.84522 1.00000
Er5 Er 0.11584 0.12452 0.32459 1.00000
Er6 Er 0.11115 0.61115 0.15478 1.00000
Er7 Er 0.77155 0.27151 0.57277 1.00000
Er8 Er 0.62451 0.61585 0.32459 1.00000
Er9 Er 0.22601 0.16772 0.93550 1.00000
Er10 Er 0.83228 0.77400 0.06450 1.00000
Er11 Er 0.29454 0.29608 0.55651 1.00000
Er12 Er 0.72845 0.22849 0.42723 1.00000
Er13 Er 0.87549 0.88415 0.67541 1.00000
Er14 Er 0.20546 0.20392 0.44349 1.00000
Er15 Er 0.27399 0.33228 0.06450 1.00000
Er16 Er 0.70388 0.70551 0.44349 1.00000
Er17 Er 0.79612 0.79449 0.55651 1.00000
Er18 Er 0.05212 0.04099 0.19961 1.00000
Er19 Er 0.27314 0.77310 0.57195 1.00000
Er20 Er 0.38416 0.37548 0.67541 1.00000
Er21 Er 0.85485 0.35485 0.86355 1.00000
Er22 Er 0.54099 0.55213 0.19961 1.00000
Er23 Er 0.22686 0.72690 0.42805 1.00000
Er24 Er 0.64515 0.14515 0.13645 1.00000
Tm1 Tm 0.47647 0.97647 0.02006 1.00000
Tm2 Tm 0.02353 0.52353 0.97994 1.00000
