Er4ZnTc
Alexandria ALEXAlex-ID: agm005807985 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Er3Tc ErZn
2023-07-31 17:18:25.036498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807985).
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 agm005807985
data_agm005807985
_cell_length_a 6.21940
_cell_length_b 7.44926
_cell_length_c 7.44929
_cell_angle_alpha 112.52492
_cell_angle_beta 98.44807
_cell_angle_gamma 98.44801
_cell_volume 307.44065
_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 0.90998 0.63104 0.79041 1.00000
Er2 Er 0.03937 0.93161 0.27791 1.00000
Er3 Er 0.59002 0.20959 0.36895 1.00000
Er4 Er 0.46063 0.72209 0.06839 1.00000
Er5 Er 0.53937 0.27791 0.93161 1.00000
Er6 Er 0.40998 0.79041 0.63105 1.00000
Er7 Er 0.96063 0.06839 0.72209 1.00000
Er8 Er 0.09002 0.36896 0.20959 1.00000
Zn1 Zn 0.75000 0.62758 0.37242 1.00000
Zn2 Zn 0.25000 0.37242 0.62758 1.00000
Tc1 Tc 0.24999 0.99826 0.00174 1.00000
Tc2 Tc 0.75001 0.00174 0.99826 1.00000
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