Er8Te4As3H
Alexandria ALEXAlex-ID: agm004726164 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Er3Te ErTe Er2TeAs ErH2
2023-02-04 00:42:52.254883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004726164).
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 agm004726164
data_agm004726164
_cell_length_a 8.21345
_cell_length_b 8.43413
_cell_length_c 8.21397
_cell_angle_alpha 119.13710
_cell_angle_beta 119.99791
_cell_angle_gamma 90.00000
_cell_volume 407.53073
_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 0.23608 0.71538 0.97929 1.00000
Er2 Er 0.23618 0.71547 0.47236 1.00000
Er3 Er 0.26166 0.28498 0.52332 1.00000
Er4 Er 0.74321 0.71538 0.97929 1.00000
Er5 Er 0.25679 0.28462 0.02071 1.00000
Er6 Er 0.73834 0.71502 0.47668 1.00000
Er7 Er 0.76382 0.28453 0.52764 1.00000
Er8 Er 0.76392 0.28462 0.02071 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
Te2 Te 0.50000 0.00000 0.50000 1.00000
Te3 Te 0.00000 0.00000 0.00000 1.00000
Te4 Te 0.00000 0.00000 0.50000 1.00000
As1 As 0.50000 0.50000 0.00000 1.00000
As2 As 0.50000 0.50000 0.50000 1.00000
As3 As 0.00000 0.50000 0.50000 1.00000
H1 H 0.00000 0.50000 0.00000 1.00000
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