Nd3(SmGe2)2
Alexandria ALEXAlex-ID: agm005677056 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_763_spg14
Nd4Ge3 Sm4Ge3 NdGe
2023-06-27 05:08:14.310354
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677056).
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 agm005677056
data_agm005677056
_cell_length_a 7.84963
_cell_length_b 8.95390
_cell_length_c 8.03493
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.14738
_cell_volume 478.14959
_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 0.00000 0.50000 0.50000 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.63538 0.20100 0.81888 1.00000
Nd4 Nd 0.86462 0.79900 0.31888 1.00000
Nd5 Nd 0.36462 0.79900 0.18112 1.00000
Nd6 Nd 0.13538 0.20100 0.68112 1.00000
Sm1 Sm 0.50918 0.23392 0.33591 1.00000
Sm2 Sm 0.99082 0.76608 0.83591 1.00000
Sm3 Sm 0.49082 0.76608 0.66409 1.00000
Sm4 Sm 0.00918 0.23392 0.16409 1.00000
Ge1 Ge 0.76362 0.08705 0.46515 1.00000
Ge2 Ge 0.73638 0.91295 0.96515 1.00000
Ge3 Ge 0.23638 0.91295 0.53485 1.00000
Ge4 Ge 0.26362 0.08705 0.03485 1.00000
Ge5 Ge 0.88423 0.50655 0.12561 1.00000
Ge6 Ge 0.61577 0.49345 0.62561 1.00000
Ge7 Ge 0.11577 0.49345 0.87439 1.00000
Ge8 Ge 0.38423 0.50655 0.37439 1.00000
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