Np3Tl2BiO12
Alexandria ALEXAlex-ID: agm030190948 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_24_spg166
NpTl2O4 NpTlO4 Np(BiO3)2 NpO3
2024-09-05 16:35:21.083896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030190948).
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 agm030190948
data_agm030190948
_cell_length_a 7.96400
_cell_length_b 7.98231
_cell_length_c 8.00632
_cell_angle_alpha 60.75970
_cell_angle_beta 60.88491
_cell_angle_gamma 61.08059
_cell_volume 367.25970
_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
Np1 Np 0.67307 0.62580 0.95590 1.00000
Np2 Np 0.67244 0.12325 0.45421 1.00000
Np3 Np 0.17220 0.12429 0.95523 1.00000
Tl1 Tl 0.11872 0.60821 0.11527 1.00000
Tl2 Tl 0.21676 0.96806 0.47523 1.00000
Bi1 Bi 0.67156 0.13166 0.94883 1.00000
O1 O 0.61345 0.44679 0.24059 1.00000
O2 O 0.01912 0.04026 0.88853 1.00000
O3 O 0.58557 0.47510 0.89792 1.00000
O4 O 0.96672 0.04850 0.27659 1.00000
O5 O 0.59702 0.06092 0.29711 1.00000
O6 O 0.99417 0.40876 0.89029 1.00000
O7 O 0.73379 0.80285 0.67029 1.00000
O8 O 0.32213 0.19128 0.04193 1.00000
O9 O 0.75141 0.78326 0.01724 1.00000
O10 O 0.38528 0.18699 0.63719 1.00000
O11 O 0.75758 0.18105 0.60608 1.00000
O12 O 0.34640 0.83354 0.03107 1.00000
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