ErFeSi2
Alexandria ALEXAlex-ID: agm002186166 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_906_spg2
Er2Fe3Si5 ErSi
2017-05-03 19:34:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002186166).
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 agm002186166
data_agm002186166
_cell_length_a 5.24848
_cell_length_b 7.77150
_cell_length_c 10.56155
_cell_angle_alpha 88.02095
_cell_angle_beta 113.51869
_cell_angle_gamma 89.90675
_cell_volume 394.71308
_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
Si1 Si 0.92954 0.63508 0.05312 1.00000
Si2 Si 0.69566 0.74808 0.43441 1.00000
Si3 Si 0.68759 0.25603 0.42268 1.00000
Si4 Si 0.86272 0.99290 0.07001 1.00000
Si5 Si 0.07046 0.36492 0.94688 1.00000
Si6 Si 0.09809 0.90704 0.32444 1.00000
Si7 Si 0.31241 0.74397 0.57732 1.00000
Si8 Si 0.30434 0.25192 0.56559 1.00000
Si9 Si 0.13728 0.00710 0.92999 1.00000
Si10 Si 0.90191 0.09296 0.67556 1.00000
Si11 Si 0.11801 0.61331 0.31527 1.00000
Si12 Si 0.88199 0.38669 0.68473 1.00000
Fe1 Fe 0.00000 0.50000 0.50000 1.00000
Fe2 Fe 0.48705 0.20681 0.01189 1.00000
Fe3 Fe 0.50000 0.00000 0.50000 1.00000
Fe4 Fe 0.51295 0.79319 0.98811 1.00000
Fe5 Fe 0.50000 0.50000 0.50000 1.00000
Fe6 Fe 0.00000 0.00000 0.50000 1.00000
Er1 Er 0.48477 0.46887 0.81758 1.00000
Er2 Er 0.93836 0.73651 0.73060 1.00000
Er3 Er 0.49912 0.01117 0.78642 1.00000
Er4 Er 0.06164 0.26349 0.26940 1.00000
Er5 Er 0.50088 0.98883 0.21358 1.00000
Er6 Er 0.51523 0.53113 0.18242 1.00000
