Nd2Ge5IrPt2
Alexandria ALEXAlex-ID: agm042807014 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_56_spg15
Nd2Ge5Ir3 Nd3(Ge3Pt2)2 NdGe7Ir3
2025-02-27 06:17:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042807014).
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 agm042807014
data_agm042807014
_cell_length_a 8.49321
_cell_length_b 8.49321
_cell_length_c 6.22952
_cell_angle_alpha 68.58029
_cell_angle_beta 111.41971
_cell_angle_gamma 90.51636
_cell_volume 385.40239
_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 0.59656 0.13727 0.72910 1.00000
Nd2 Nd 0.13727 0.59656 0.77090 1.00000
Nd3 Nd 0.40344 0.86273 0.27090 1.00000
Nd4 Nd 0.86273 0.40344 0.22910 1.00000
Ge1 Ge 0.25504 0.94490 0.65513 1.00000
Ge2 Ge 0.94490 0.25504 0.84487 1.00000
Ge3 Ge 0.74496 0.05510 0.34487 1.00000
Ge4 Ge 0.05510 0.74496 0.15513 1.00000
Ge5 Ge 0.50017 0.50017 0.25000 1.00000
Ge6 Ge 0.49983 0.49983 0.75000 1.00000
Ge7 Ge 0.77525 0.77525 0.25000 1.00000
Ge8 Ge 0.22475 0.22475 0.75000 1.00000
Ge9 Ge 0.22461 0.22461 0.25000 1.00000
Ge10 Ge 0.77539 0.77539 0.75000 1.00000
Ir1 Ir 0.00001 0.00001 0.25000 1.00000
Ir2 Ir 0.99999 0.99999 0.75000 1.00000
Pt1 Pt 0.52737 0.75082 0.88857 1.00000
Pt2 Pt 0.75082 0.52737 0.61143 1.00000
Pt3 Pt 0.47263 0.24918 0.11143 1.00000
Pt4 Pt 0.24918 0.47263 0.38857 1.00000
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