PmEr3C2
Alexandria ALEXAlex-ID: agm005698390 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_243_spg166
Er2C Pm2C
2023-08-07 10:12:57.001226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698390).
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 agm005698390
data_agm005698390
_cell_length_a 12.98941
_cell_length_b 12.98935
_cell_length_c 7.42830
_cell_angle_alpha 28.93667
_cell_angle_beta 28.93664
_cell_angle_gamma 32.11879
_cell_volume 275.26311
_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
Pm1 Pm 0.24614 0.24615 0.25334 1.00000
Pm2 Pm 0.75386 0.75385 0.74666 1.00000
Er1 Er 0.26115 0.76486 0.73552 1.00000
Er2 Er 0.76486 0.26115 0.73552 1.00000
Er3 Er 0.26121 0.26120 0.74274 1.00000
Er4 Er 0.23514 0.73885 0.26448 1.00000
Er5 Er 0.73885 0.23514 0.26448 1.00000
Er6 Er 0.73879 0.73880 0.25726 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.50000 0.00000 0.00000 1.00000
C3 C 0.50000 0.50000 0.00000 1.00000
C4 C 0.00000 0.50000 0.00000 1.00000
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