ErCrB14
Alexandria ALEXAlex-ID: agm005755594 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
ErB12 CrB4 ErB4
2023-07-18 14:04:43.469652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755594).
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 agm005755594
data_agm005755594
_cell_length_a 5.84598
_cell_length_b 7.32544
_cell_length_c 7.32544
_cell_angle_alpha 67.86416
_cell_angle_beta 66.48313
_cell_angle_gamma 66.48312
_cell_volume 254.77455
_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 0.37841 0.12159 1.00000
Er2 Er 0.75000 0.62159 0.87841 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66747 0.36377 0.30130 1.00000
B2 B 0.33253 0.63623 0.69870 1.00000
B3 B 0.16747 0.80130 0.86377 1.00000
B4 B 0.83253 0.19870 0.13623 1.00000
B5 B 0.12942 0.24109 0.50006 1.00000
B6 B 0.87058 0.75891 0.49994 1.00000
B7 B 0.62942 0.00006 0.74109 1.00000
B8 B 0.37058 0.99994 0.25891 1.00000
B9 B 0.08427 0.08696 0.74450 1.00000
B10 B 0.91573 0.91304 0.25550 1.00000
B11 B 0.58427 0.24450 0.58696 1.00000
B12 B 0.41573 0.75550 0.41304 1.00000
B13 B 0.72381 0.59795 0.27428 1.00000
B14 B 0.59604 0.40205 0.72572 1.00000
B15 B 0.22381 0.77428 0.09795 1.00000
B16 B 0.09604 0.22572 0.90205 1.00000
B17 B 0.27619 0.40205 0.72572 1.00000
B18 B 0.40396 0.59795 0.27428 1.00000
B19 B 0.77619 0.22572 0.90205 1.00000
B20 B 0.90396 0.77428 0.09795 1.00000
B21 B 0.32683 0.96933 0.87315 1.00000
B22 B 0.16931 0.03067 0.12685 1.00000
B23 B 0.82683 0.37315 0.46933 1.00000
B24 B 0.66931 0.62685 0.53067 1.00000
B25 B 0.67317 0.03067 0.12685 1.00000
B26 B 0.83069 0.96933 0.87315 1.00000
B27 B 0.17317 0.62685 0.53067 1.00000
B28 B 0.33069 0.37315 0.46933 1.00000
