Er3(Ga2Tc)2
Alexandria ALEXAlex-ID: agm005662948 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_34_spg12
Er2Ga3Tc ErGaTc
2023-06-27 01:55:57.532619
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662948).
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
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# CIF generated by HEAS from Alexandria entry agm005662948
data_agm005662948
_cell_length_a 4.09126
_cell_length_b 6.20644
_cell_length_c 8.14353
_cell_angle_alpha 108.53836
_cell_angle_beta 89.99997
_cell_angle_gamma 109.24438
_cell_volume 183.82413
_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 0.61627 0.23254 0.69936 1.00000
Er2 Er 0.00000 0.00000 0.00000 1.00000
Er3 Er 0.38373 0.76746 0.30064 1.00000
Ga1 Ga 0.70948 0.41895 0.08209 1.00000
Ga2 Ga 0.29052 0.58105 0.91791 1.00000
Ga3 Ga 0.93096 0.86193 0.60488 1.00000
Ga4 Ga 0.06904 0.13807 0.39512 1.00000
Tc1 Tc 0.70518 0.41035 0.39969 1.00000
Tc2 Tc 0.29482 0.58965 0.60031 1.00000
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