Y3Ni7As4
Alexandria ALEXAlex-ID: agm005697276 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
YNiAs Y7Ni17As12 Ni
2023-06-29 17:13:05.043610
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697276).
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 agm005697276
data_agm005697276
_cell_length_a 3.96727
_cell_length_b 7.70796
_cell_length_c 7.87908
_cell_angle_alpha 70.62074
_cell_angle_beta 75.41835
_cell_angle_gamma 75.08720
_cell_volume 215.94357
_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
Y1 Y 0.32166 0.18764 0.16903 1.00000
Y2 Y 0.67834 0.81236 0.83097 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.31112 0.85019 0.52757 1.00000
Ni2 Ni 0.49576 0.22321 0.78527 1.00000
Ni3 Ni 0.85742 0.37930 0.90585 1.00000
Ni4 Ni 0.68888 0.14981 0.47243 1.00000
Ni5 Ni 0.14258 0.62070 0.09415 1.00000
Ni6 Ni 0.00000 0.00000 0.00000 1.00000
Ni7 Ni 0.50424 0.77679 0.21473 1.00000
As1 As 0.66511 0.45130 0.21848 1.00000
As2 As 0.33489 0.54870 0.78152 1.00000
As3 As 0.88745 0.89651 0.32858 1.00000
As4 As 0.11255 0.10349 0.67142 1.00000
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