Nd3Ga4Pt7
Alexandria ALEXAlex-ID: agm005694937 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Nd3Ga4Pt7
2023-06-29 16:16:07.538882
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694937).
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 agm005694937
data_agm005694937
_cell_length_a 4.27424
_cell_length_b 8.39876
_cell_length_c 8.45402
_cell_angle_alpha 67.89908
_cell_angle_beta 75.35710
_cell_angle_gamma 75.25859
_cell_volume 267.72053
_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
Nd1 Nd 0.32729 0.18385 0.16157 1.00000
Nd2 Nd 0.67271 0.81615 0.83843 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.67853 0.46186 0.18109 1.00000
Ga2 Ga 0.32147 0.53814 0.81891 1.00000
Ga3 Ga 0.87396 0.90073 0.35135 1.00000
Ga4 Ga 0.12604 0.09927 0.64865 1.00000
Pt1 Pt 0.30691 0.82297 0.56319 1.00000
Pt2 Pt 0.50899 0.22117 0.76084 1.00000
Pt3 Pt 0.87049 0.36515 0.89387 1.00000
Pt4 Pt 0.69308 0.17703 0.43681 1.00000
Pt5 Pt 0.12951 0.63485 0.10613 1.00000
Pt6 Pt 0.00000 0.00000 0.00000 1.00000
Pt7 Pt 0.49101 0.77883 0.23916 1.00000
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