CePrPt
Alexandria ALEXAlex-ID: agm005658006 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7935_spg46
Pr7Pt3 Ce CePt
2023-06-17 05:40:42.280689
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658006).
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 agm005658006
data_agm005658006
_cell_length_a 7.54997
_cell_length_b 9.00095
_cell_length_c 9.00095
_cell_angle_alpha 63.46058
_cell_angle_beta 65.20337
_cell_angle_gamma 65.20340
_cell_volume 476.06881
_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
Ce1 Ce 0.99986 1.00000 0.00000 1.00000
Ce2 Ce 0.99986 0.50000 0.50000 1.00000
Ce3 Ce 0.76084 0.38814 0.34870 1.00000
Ce4 Ce 0.49769 0.61186 0.65130 1.00000
Ce5 Ce 0.49769 0.15130 0.11186 1.00000
Ce6 Ce 0.76084 0.84870 0.88814 1.00000
Pr1 Pr 0.18606 0.03466 0.53466 1.00000
Pr2 Pr 0.75538 0.96534 0.46534 1.00000
Pr3 Pr 0.33631 0.75527 0.25527 1.00000
Pr4 Pr 0.34684 0.24473 0.74473 1.00000
Pr5 Pr 0.75840 0.44809 0.94809 1.00000
Pr6 Pr 0.15457 0.55191 0.05191 1.00000
Pt1 Pt 0.77428 0.21865 0.71865 1.00000
Pt2 Pt 0.71159 0.78135 0.28135 1.00000
Pt3 Pt 0.09172 0.15739 0.16886 1.00000
Pt4 Pt 0.41797 0.84261 0.83114 1.00000
Pt5 Pt 0.41797 0.33114 0.34261 1.00000
Pt6 Pt 0.09172 0.66886 0.65739 1.00000
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