Nd3Cr2Pt3
Alexandria ALEXAlex-ID: agm009587633 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_97_spg62
Cr NdPt
2024-06-24 11:22:51.892510
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009587633).
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 agm009587633
data_agm009587633
_cell_length_a 5.89554
_cell_length_b 7.91650
_cell_length_c 15.35140
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 716.48101
_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 0.13567 0.46820 0.39527 1.00000
Nd2 Nd 0.63567 0.03180 0.60473 1.00000
Nd3 Nd 0.86433 0.53180 0.89527 1.00000
Nd4 Nd 0.36433 0.96820 0.10473 1.00000
Nd5 Nd 0.86433 0.53180 0.60473 1.00000
Nd6 Nd 0.36433 0.96820 0.39527 1.00000
Nd7 Nd 0.13567 0.46820 0.10473 1.00000
Nd8 Nd 0.63567 0.03180 0.89527 1.00000
Nd9 Nd 0.60008 0.32573 0.25000 1.00000
Nd10 Nd 0.10008 0.17427 0.75000 1.00000
Nd11 Nd 0.39992 0.67427 0.75000 1.00000
Nd12 Nd 0.89992 0.82573 0.25000 1.00000
Cr1 Cr 0.86549 0.12201 0.39208 1.00000
Cr2 Cr 0.36549 0.37799 0.60792 1.00000
Cr3 Cr 0.13451 0.87799 0.89208 1.00000
Cr4 Cr 0.63451 0.62201 0.10792 1.00000
Cr5 Cr 0.13451 0.87799 0.60792 1.00000
Cr6 Cr 0.63451 0.62201 0.39208 1.00000
Cr7 Cr 0.86549 0.12201 0.10792 1.00000
Cr8 Cr 0.36549 0.37799 0.89208 1.00000
Pt1 Pt 0.10606 0.18398 0.25000 1.00000
Pt2 Pt 0.60606 0.31602 0.75000 1.00000
Pt3 Pt 0.89394 0.81602 0.75000 1.00000
Pt4 Pt 0.39394 0.68398 0.25000 1.00000
Pt5 Pt 0.58479 0.32488 0.45971 1.00000
Pt6 Pt 0.08479 0.17512 0.54029 1.00000
Pt7 Pt 0.41521 0.67512 0.95971 1.00000
Pt8 Pt 0.91521 0.82488 0.04029 1.00000
Pt9 Pt 0.41521 0.67512 0.54029 1.00000
Pt10 Pt 0.91521 0.82488 0.45971 1.00000
Pt11 Pt 0.58479 0.32488 0.04029 1.00000
Pt12 Pt 0.08479 0.17512 0.95971 1.00000
