Er3BC3
Alexandria ALEXAlex-ID: agm005994228 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_46_spg11
Er3C4 Er2BC2 Er2C
2023-08-04 16:45:17.159752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994228).
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 agm005994228
data_agm005994228
_cell_length_a 5.00862
_cell_length_b 6.46756
_cell_length_c 6.46755
_cell_angle_alpha 104.19841
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 203.10687
_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 0.25000 0.58847 0.84040 1.00000
Er2 Er 0.25000 0.15961 0.41153 1.00000
Er3 Er 0.25000 0.10361 0.89639 1.00000
Er4 Er 0.75000 0.41153 0.15960 1.00000
Er5 Er 0.75000 0.84039 0.58847 1.00000
Er6 Er 0.75000 0.89639 0.10361 1.00000
B1 B 0.75000 0.29009 0.70990 1.00000
B2 B 0.25000 0.70991 0.29010 1.00000
C1 C 0.75000 0.54673 0.82455 1.00000
C2 C 0.75000 0.17544 0.45326 1.00000
C3 C 0.75000 0.12121 0.87879 1.00000
C4 C 0.25000 0.45327 0.17545 1.00000
C5 C 0.25000 0.82456 0.54674 1.00000
C6 C 0.25000 0.87879 0.12121 1.00000
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