Er2Tm3Zr
Alexandria ALEXAlex-ID: agm003415313 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1038_spg12
Er2Tm TmZr5 ErTm2
2022-02-15 22:50:03.016997
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003415313).
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 agm003415313
data_agm003415313
_cell_length_a 3.34606
_cell_length_b 8.67362
_cell_length_c 12.67772
_cell_angle_alpha 77.84552
_cell_angle_beta 82.41678
_cell_angle_gamma 78.87869
_cell_volume 351.33142
_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
Er1 Er 0.82158 0.47939 0.87745 1.00000
Er2 Er 0.17842 0.52061 0.12255 1.00000
Er3 Er 0.64894 0.17037 0.53176 1.00000
Er4 Er 0.35106 0.82963 0.46824 1.00000
Tm1 Tm 0.03465 0.15006 0.78064 1.00000
Tm2 Tm 0.96535 0.84994 0.21936 1.00000
Tm3 Tm 0.59920 0.83068 0.97093 1.00000
Tm4 Tm 0.40080 0.16932 0.02907 1.00000
Tm5 Tm 0.74663 0.80411 0.70264 1.00000
Tm6 Tm 0.25337 0.19589 0.29736 1.00000
Zr1 Zr 0.43383 0.48468 0.64765 1.00000
Zr2 Zr 0.56617 0.51532 0.35235 1.00000
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