Er7Tl4C
Alexandria ALEXAlex-ID: agm003667084 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_98_spg12
Er5Tl3 Er5Tl4 Er3TlC
2022-04-08 16:54:21.738050
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667084).
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 agm003667084
data_agm003667084
_cell_length_a 4.89115
_cell_length_b 8.95665
_cell_length_c 8.66223
_cell_angle_alpha 78.93768
_cell_angle_beta 73.60091
_cell_angle_gamma 74.15441
_cell_volume 347.48701
_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 0.77079 0.85728 0.60113 1.00000
Er2 Er 0.22921 0.14272 0.39887 1.00000
Er3 Er 0.04313 0.76072 0.15303 1.00000
Er4 Er 0.95687 0.23928 0.84697 1.00000
Er5 Er 0.37394 0.54578 0.70634 1.00000
Er6 Er 0.50000 0.00000 0.00000 1.00000
Er7 Er 0.62606 0.45422 0.29366 1.00000
Tl1 Tl 0.59170 0.21103 0.60557 1.00000
Tl2 Tl 0.40830 0.78897 0.39443 1.00000
Tl3 Tl 0.72304 0.62399 0.92992 1.00000
Tl4 Tl 0.27696 0.37601 0.07008 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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