BaCo(NiP4)2
Alexandria ALEXAlex-ID: agm004895370 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
Ba(NiP2)2 Ba3P14 CoP3 NiP2
2023-01-06 18:07:39.591627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004895370).
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 agm004895370
data_agm004895370
_cell_length_a 5.51501
_cell_length_b 5.51501
_cell_length_c 8.64548
_cell_angle_alpha 71.40036
_cell_angle_beta 71.40036
_cell_angle_gamma 60.00000
_cell_volume 211.71873
_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
Ba1 Ba 0.50000 0.50000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.24084 0.24084 0.27748 1.00000
Ni2 Ni 0.75916 0.75916 0.72252 1.00000
P1 P 0.15219 0.15219 0.54343 1.00000
P2 P 0.59096 0.34245 0.10927 1.00000
P3 P 0.84781 0.84781 0.45657 1.00000
P4 P 0.95732 0.59096 0.10927 1.00000
P5 P 0.04268 0.40904 0.89073 1.00000
P6 P 0.34245 0.95732 0.10927 1.00000
P7 P 0.65755 0.04268 0.89073 1.00000
P8 P 0.40904 0.65755 0.89073 1.00000
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