Er2ZnNi7P3
Alexandria ALEXAlex-ID: agm020046313 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_53_spg22
Er8Ni18P11 Er(Ni2P)2 ErZnNi4 ZnNi
2024-09-22 01:31:55.153840
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020046313).
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
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# CIF generated by HEAS from Alexandria entry agm020046313
data_agm020046313
_cell_length_a 12.28374
_cell_length_b 12.28374
_cell_length_c 12.28374
_cell_angle_alpha 161.88696
_cell_angle_beta 161.88696
_cell_angle_gamma 25.72470
_cell_volume 179.09067
_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 0.33942 0.33942 0.00000 1.00000
Er2 Er 0.66058 0.66058 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.06713 0.56713 0.50000 1.00000
Ni2 Ni 0.56793 0.06793 0.50000 1.00000
Ni3 Ni 0.93207 0.43207 0.50000 1.00000
Ni4 Ni 0.43287 0.93287 0.50000 1.00000
Ni5 Ni 0.20877 0.20877 0.00000 1.00000
Ni6 Ni 0.79123 0.79123 0.00000 1.00000
Ni7 Ni 0.00000 0.00000 0.00000 1.00000
P1 P 0.11535 0.11535 0.00000 1.00000
P2 P 0.88465 0.88465 0.00000 1.00000
P3 P 0.25000 0.75000 0.50000 1.00000
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