ErZr2Tl3
Alexandria ALEXAlex-ID: agm014243239 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1770_spg63
ErTl2 ErTl3 Zr3Tl
2025-04-14 15:17:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014243239).
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 agm014243239
data_agm014243239
_cell_length_a 8.62773
_cell_length_b 8.62773
_cell_length_c 5.99915
_cell_angle_alpha 81.43108
_cell_angle_beta 98.56892
_cell_angle_gamma 138.10655
_cell_volume 294.37208
_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 0.13078 0.13078 0.75000 1.00000
Er2 Er 0.86922 0.86922 0.25000 1.00000
Zr1 Zr 0.54316 0.20756 0.57272 1.00000
Zr2 Zr 0.79244 0.45684 0.07272 1.00000
Zr3 Zr 0.20756 0.54316 0.92728 1.00000
Zr4 Zr 0.45684 0.79244 0.42728 1.00000
Tl1 Tl 0.37272 0.37272 0.25000 1.00000
Tl2 Tl 0.62728 0.62728 0.75000 1.00000
Tl3 Tl 0.29604 0.95503 0.08113 1.00000
Tl4 Tl 0.95503 0.29604 0.41887 1.00000
Tl5 Tl 0.04497 0.70396 0.58113 1.00000
Tl6 Tl 0.70396 0.04497 0.91887 1.00000
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