Er3NiRu2
Alexandria ALEXAlex-ID: agm016325188 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2128_spg14
Er3NiRu2
2025-04-15 07:50:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016325188).
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 agm016325188
data_agm016325188
_cell_length_a 5.83619
_cell_length_b 9.49826
_cell_length_c 8.24683
_cell_angle_alpha 90.00000
_cell_angle_beta 89.94750
_cell_angle_gamma 90.00000
_cell_volume 457.15175
_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 0.66673 0.87432 0.41553 1.00000
Er2 Er 0.33327 0.37432 0.08447 1.00000
Er3 Er 0.33465 0.87575 0.08214 1.00000
Er4 Er 0.66535 0.37575 0.41786 1.00000
Er5 Er 0.99956 0.87506 0.75102 1.00000
Er6 Er 0.00044 0.37506 0.74898 1.00000
Er7 Er 0.99956 0.62494 0.25102 1.00000
Er8 Er 0.00044 0.12494 0.24898 1.00000
Er9 Er 0.33465 0.62425 0.58214 1.00000
Er10 Er 0.66535 0.12425 0.91786 1.00000
Er11 Er 0.66673 0.62568 0.91553 1.00000
Er12 Er 0.33327 0.12568 0.58447 1.00000
Ni1 Ni 0.16943 0.62638 0.91568 1.00000
Ni2 Ni 0.83057 0.12638 0.58432 1.00000
Ni3 Ni 0.16943 0.87362 0.41568 1.00000
Ni4 Ni 0.83057 0.37362 0.08432 1.00000
Ru1 Ru 0.50091 0.62492 0.24857 1.00000
Ru2 Ru 0.49909 0.12492 0.25143 1.00000
Ru3 Ru 0.83503 0.62598 0.58343 1.00000
Ru4 Ru 0.16497 0.12598 0.91657 1.00000
Ru5 Ru 0.83503 0.87402 0.08343 1.00000
Ru6 Ru 0.16497 0.37402 0.41657 1.00000
Ru7 Ru 0.50091 0.87508 0.74857 1.00000
Ru8 Ru 0.49909 0.37508 0.75143 1.00000
