Na2PrThF8
Alexandria ALEXAlex-ID: agm002363264 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_21_spg119
Na2ThF6 NaPrF4 PrF3 Th
2019-02-26 19:50:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002363264).
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 agm002363264
data_agm002363264
_cell_length_a 5.59987
_cell_length_b 5.73993
_cell_length_c 6.96482
_cell_angle_alpha 114.33960
_cell_angle_beta 113.70669
_cell_angle_gamma 89.99688
_cell_volume 183.04067
_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
Pr1 Pr 0.99728 0.99734 0.99461 1.00000
Na1 Na 0.26203 0.76205 0.52412 1.00000
Na2 Na 0.49377 0.49387 0.98758 1.00000
Th1 Th 0.73551 0.23550 0.47098 1.00000
F1 F 0.63901 0.13241 0.73720 1.00000
F2 F 0.09828 0.13253 0.73734 1.00000
F3 F 0.89659 0.88755 0.26840 1.00000
F4 F 0.37180 0.38087 0.26853 1.00000
F5 F 0.09827 0.60484 0.73727 1.00000
F6 F 0.89644 0.38098 0.26837 1.00000
F7 F 0.63907 0.60480 0.73733 1.00000
F8 F 0.37191 0.88745 0.26831 1.00000
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