Tb2Np3PaP6
Alexandria ALEXAlex-ID: agm034684145 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_251_spg12
Np7PaP8 NpPa2P3 Tb5PaP6
2025-03-12 23:15:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034684145).
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 agm034684145
data_agm034684145
_cell_length_a 8.90267
_cell_length_b 8.90267
_cell_length_c 7.95770
_cell_angle_alpha 77.24124
_cell_angle_beta 102.75876
_cell_angle_gamma 154.11969
_cell_volume 268.13809
_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 0.16712 0.83288 0.33535 1.00000
Tb2 Tb 0.83288 0.16712 0.66465 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
Np2 Np 0.16777 0.83223 0.83323 1.00000
Np3 Np 0.83223 0.16777 0.16677 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
P1 P 0.66626 0.33374 0.07955 1.00000
P2 P 0.33513 0.66487 0.41115 1.00000
P3 P 0.33374 0.66626 0.92045 1.00000
P4 P 0.00112 0.99888 0.75103 1.00000
P5 P 0.99888 0.00112 0.24897 1.00000
P6 P 0.66487 0.33513 0.58885 1.00000
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