Nd2ThGe4
Alexandria ALEXAlex-ID: agm036618826 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_21_spg44
Nd3Ge5 ThGe NdGe
2025-06-22 13:42:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036618826).
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
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# CIF generated by HEAS from Alexandria entry agm036618826
data_agm036618826
_cell_length_a 9.76613
_cell_length_b 9.76613
_cell_length_c 4.39836
_cell_angle_alpha 76.98354
_cell_angle_beta 103.01646
_cell_angle_gamma 155.53048
_cell_volume 169.08442
_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 0.18065 0.81935 0.68057 1.00000
Nd2 Nd 0.81935 0.18065 0.31943 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.34514 0.65486 0.84522 1.00000
Ge2 Ge 0.65486 0.34514 0.15478 1.00000
Ge3 Ge 0.93379 0.06621 0.93400 1.00000
Ge4 Ge 0.06621 0.93379 0.06600 1.00000
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