ErTm12C7
Alexandria ALEXAlex-ID: agm005807275 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_30_spg148
ErTmC Tm2C Tm3C4
2023-07-15 14:22:36.707105
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807275).
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 agm005807275
data_agm005807275
_cell_length_a 7.97683
_cell_length_b 7.97683
_cell_length_c 7.97683
_cell_angle_alpha 107.65549
_cell_angle_beta 107.65550
_cell_angle_gamma 107.65549
_cell_volume 414.91458
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.92956 0.30912 0.78565 1.00000
Tm2 Tm 0.69088 0.21435 0.07044 1.00000
Tm3 Tm 0.44318 0.15923 0.37427 1.00000
Tm4 Tm 0.84077 0.62573 0.55682 1.00000
Tm5 Tm 0.21435 0.07044 0.69088 1.00000
Tm6 Tm 0.62573 0.55682 0.84077 1.00000
Tm7 Tm 0.37427 0.44318 0.15923 1.00000
Tm8 Tm 0.78565 0.92956 0.30912 1.00000
Tm9 Tm 0.15923 0.37427 0.44318 1.00000
Tm10 Tm 0.55682 0.84077 0.62573 1.00000
Tm11 Tm 0.30912 0.78565 0.92956 1.00000
Tm12 Tm 0.07044 0.69088 0.21435 1.00000
C1 C 0.95953 0.64547 0.88363 1.00000
C2 C 0.35453 0.11637 0.04047 1.00000
C3 C 0.11637 0.04047 0.35453 1.00000
C4 C 0.50000 0.50000 0.50000 1.00000
C5 C 0.88363 0.95953 0.64547 1.00000
C6 C 0.64547 0.88363 0.95953 1.00000
C7 C 0.04047 0.35453 0.11637 1.00000
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