ErMnB14
Alexandria ALEXAlex-ID: agm005754864 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
ErB12 MnB4 ErB4
2023-07-18 14:08:33.643827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754864).
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 agm005754864
data_agm005754864
_cell_length_a 5.85428
_cell_length_b 7.34088
_cell_length_c 7.34088
_cell_angle_alpha 68.07271
_cell_angle_beta 66.50026
_cell_angle_gamma 66.50026
_cell_volume 256.54863
_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 0.37816 0.12184 1.00000
Er2 Er 0.75000 0.62184 0.87816 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66700 0.36466 0.30134 1.00000
B2 B 0.33300 0.63534 0.69866 1.00000
B3 B 0.16700 0.80134 0.86466 1.00000
B4 B 0.83300 0.19866 0.13534 1.00000
B5 B 0.13064 0.24068 0.49804 1.00000
B6 B 0.86936 0.75932 0.50196 1.00000
B7 B 0.63064 0.99804 0.74068 1.00000
B8 B 0.36936 0.00196 0.25932 1.00000
B9 B 0.08458 0.08626 0.74458 1.00000
B10 B 0.91542 0.91374 0.25542 1.00000
B11 B 0.58458 0.24458 0.58626 1.00000
B12 B 0.41542 0.75542 0.41374 1.00000
B13 B 0.72210 0.59935 0.27594 1.00000
B14 B 0.59739 0.40065 0.72406 1.00000
B15 B 0.22210 0.77594 0.09935 1.00000
B16 B 0.09739 0.22406 0.90065 1.00000
B17 B 0.27790 0.40065 0.72406 1.00000
B18 B 0.40261 0.59935 0.27594 1.00000
B19 B 0.77790 0.22406 0.90065 1.00000
B20 B 0.90261 0.77594 0.09935 1.00000
B21 B 0.32630 0.96867 0.87481 1.00000
B22 B 0.16978 0.03133 0.12519 1.00000
B23 B 0.82630 0.37481 0.46867 1.00000
B24 B 0.66978 0.62519 0.53133 1.00000
B25 B 0.67370 0.03133 0.12519 1.00000
B26 B 0.83022 0.96867 0.87481 1.00000
B27 B 0.17370 0.62519 0.53133 1.00000
B28 B 0.33022 0.37481 0.46867 1.00000
