Sr4Th3PaP8
Alexandria ALEXAlex-ID: agm004736736 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
SrThP2 Sr2PaP3 PaP
2023-02-05 04:27:57.250250
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004736736).
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 agm004736736
data_agm004736736
_cell_length_a 8.45024
_cell_length_b 8.52159
_cell_length_c 8.44998
_cell_angle_alpha 119.72789
_cell_angle_beta 120.00104
_cell_angle_gamma 90.00000
_cell_volume 432.01377
_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
Sr1 Sr 0.50000 0.00000 0.00000 1.00000
Sr2 Sr 0.50000 0.00000 0.50000 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Sr4 Sr 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.50000 0.50000 0.50000 1.00000
Th3 Th 0.00000 0.50000 0.50000 1.00000
Pa1 Pa 0.00000 0.50000 0.00000 1.00000
P1 P 0.23451 0.71994 0.98551 1.00000
P2 P 0.23459 0.72005 0.46918 1.00000
P3 P 0.25803 0.27417 0.51605 1.00000
P4 P 0.75099 0.71994 0.98551 1.00000
P5 P 0.24901 0.28006 0.01449 1.00000
P6 P 0.74197 0.72583 0.48395 1.00000
P7 P 0.76541 0.27995 0.53082 1.00000
P8 P 0.76549 0.28006 0.01449 1.00000
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