AcThPb2
Alexandria ALEXAlex-ID: agm005690459 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7718_spg13
Ac5Pb4 Ac3Pb4 Th5Pb4
2023-07-13 07:08:38.249462
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690459).
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 agm005690459
data_agm005690459
_cell_length_a 6.66501
_cell_length_b 6.68336
_cell_length_c 12.79469
_cell_angle_alpha 89.99999
_cell_angle_beta 104.80240
_cell_angle_gamma 90.00007
_cell_volume 551.02049
_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
Ac1 Ac 0.94193 0.62534 0.63632 1.00000
Ac2 Ac 0.05807 0.37466 0.36368 1.00000
Ac3 Ac 0.55807 0.62534 0.86368 1.00000
Ac4 Ac 0.44193 0.37466 0.13632 1.00000
Th1 Th 0.55429 0.88109 0.37157 1.00000
Th2 Th 0.44571 0.11891 0.62843 1.00000
Th3 Th 0.94571 0.88109 0.12843 1.00000
Th4 Th 0.05429 0.11891 0.87157 1.00000
Pb1 Pb 0.92005 0.37684 0.09060 1.00000
Pb2 Pb 0.07995 0.62316 0.90940 1.00000
Pb3 Pb 0.57995 0.37684 0.40940 1.00000
Pb4 Pb 0.42005 0.62316 0.59060 1.00000
Pb5 Pb 0.56775 0.12312 0.89644 1.00000
Pb6 Pb 0.43225 0.87688 0.10356 1.00000
Pb7 Pb 0.93225 0.12312 0.60356 1.00000
Pb8 Pb 0.06775 0.87688 0.39644 1.00000
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