Er4Ni2Pd
Alexandria ALEXAlex-ID: agm003459331 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_905_spg9
Er2Pd ErNi
2022-02-18 14:39:30.760171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003459331).
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 agm003459331
data_agm003459331
_cell_length_a 7.42636
_cell_length_b 8.07112
_cell_length_c 7.16136
_cell_angle_alpha 112.89937
_cell_angle_beta 106.79110
_cell_angle_gamma 114.27979
_cell_volume 304.61699
_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 0.84923 0.27667 0.22218 1.00000
Er2 Er 0.24233 0.52854 0.09760 1.00000
Er3 Er 0.98307 0.65973 0.75519 1.00000
Er4 Er 0.75322 0.96134 0.65901 1.00000
Er5 Er 0.45464 0.10560 0.37968 1.00000
Er6 Er 0.35648 0.17542 0.86260 1.00000
Er7 Er 0.42419 0.53937 0.68686 1.00000
Er8 Er 0.87859 0.73844 0.24537 1.00000
Ni1 Ni 0.76630 0.35471 0.85513 1.00000
Ni2 Ni 0.59860 0.88083 0.16016 1.00000
Ni3 Ni 0.57213 0.47075 0.35100 1.00000
Ni4 Ni 0.01772 0.20206 0.56283 1.00000
Pd1 Pd 0.27615 0.77439 0.55212 1.00000
Pd2 Pd 0.07734 0.08214 0.11028 1.00000
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