Tb2CrNi7P3
Alexandria ALEXAlex-ID: agm020095928 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
Tb8Ni18P11 CrNi2 Tb2Ni7P4
2024-11-30 15:42:14.718117
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020095928).
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 agm020095928
data_agm020095928
_cell_length_a 12.53053
_cell_length_b 12.53053
_cell_length_c 12.53053
_cell_angle_alpha 162.29701
_cell_angle_beta 162.29701
_cell_angle_gamma 25.13746
_cell_volume 181.87114
_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
Tb1 Tb 0.33804 0.33804 0.00000 1.00000
Tb2 Tb 0.66196 0.66196 0.00000 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.06707 0.56707 0.50000 1.00000
Ni2 Ni 0.56774 0.06774 0.50000 1.00000
Ni3 Ni 0.93226 0.43226 0.50000 1.00000
Ni4 Ni 0.43293 0.93293 0.50000 1.00000
Ni5 Ni 0.20839 0.20839 0.00000 1.00000
Ni6 Ni 0.79161 0.79161 0.00000 1.00000
Ni7 Ni 0.00000 0.00000 0.00000 1.00000
P1 P 0.11558 0.11558 0.00000 1.00000
P2 P 0.88442 0.88442 0.00000 1.00000
P3 P 0.25000 0.75000 0.50000 1.00000
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