Er2Be12TcB3
Alexandria ALEXAlex-ID: agm004499596 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_102_spg166
ErBe13 Be2TcB Er3TcB7 Be2Tc
2022-06-18 23:45:39.297171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004499596).
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 agm004499596
data_agm004499596
_cell_length_a 6.84973
_cell_length_b 6.84973
_cell_length_c 6.84973
_cell_angle_alpha 57.62624
_cell_angle_beta 57.62624
_cell_angle_gamma 57.62624
_cell_volume 214.85245
_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 0.59360 0.59360 0.59360 1.00000
Er2 Er 0.40640 0.40640 0.40640 1.00000
Be1 Be 0.24991 0.24991 0.92102 1.00000
Be2 Be 0.86049 0.86049 0.46155 1.00000
Be3 Be 0.46155 0.86049 0.86049 1.00000
Be4 Be 0.92102 0.24991 0.24991 1.00000
Be5 Be 0.86049 0.46155 0.86049 1.00000
Be6 Be 0.24991 0.92102 0.24991 1.00000
Be7 Be 0.75009 0.75009 0.07898 1.00000
Be8 Be 0.13951 0.13951 0.53845 1.00000
Be9 Be 0.53845 0.13951 0.13951 1.00000
Be10 Be 0.07898 0.75009 0.75009 1.00000
Be11 Be 0.13951 0.53845 0.13951 1.00000
Be12 Be 0.75009 0.07898 0.75009 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
B1 B 0.50000 0.00000 0.00000 1.00000
B2 B 0.00000 0.50000 0.00000 1.00000
B3 B 0.00000 0.00000 0.50000 1.00000
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