Pm(SmTh4)2
Alexandria ALEXAlex-ID: agm012392983 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_259_spg8
SmTh4 Pm
2024-07-13 02:12:57.957498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012392983).
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 agm012392983
data_agm012392983
_cell_length_a 6.21039
_cell_length_b 6.21285
_cell_length_c 9.46119
_cell_angle_alpha 96.23326
_cell_angle_beta 89.95720
_cell_angle_gamma 99.41976
_cell_volume 357.94755
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.63577 0.81988 0.27463 1.00000
Sm2 Sm 0.36423 0.18012 0.72537 1.00000
Th1 Th 0.81628 0.90702 0.63504 1.00000
Th2 Th 0.27283 0.63598 0.54527 1.00000
Th3 Th 0.45234 0.72024 0.90822 1.00000
Th4 Th 0.54766 0.27976 0.09178 1.00000
Th5 Th 0.72717 0.36402 0.45473 1.00000
Th6 Th 0.18372 0.09298 0.36496 1.00000
Th7 Th 0.91014 0.45708 0.81622 1.00000
Th8 Th 0.08986 0.54292 0.18378 1.00000
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