Nd(UTc)2
Alexandria ALEXAlex-ID: agm005960593 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_74_spg36
Nd3U2Tc7 Nd2UTc2 U2Tc
2023-08-04 15:37:46.700524
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005960593).
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 agm005960593
data_agm005960593
_cell_length_a 7.94657
_cell_length_b 7.94657
_cell_length_c 5.91788
_cell_angle_alpha 89.99989
_cell_angle_beta 89.99991
_cell_angle_gamma 143.97497
_cell_volume 219.78826
_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 0.93447 0.06553 0.25000 1.00000
Nd2 Nd 0.06553 0.93447 0.75000 1.00000
U1 U 0.29146 0.70859 0.48091 1.00000
U2 U 0.70859 0.29146 0.98091 1.00000
U3 U 0.70854 0.29141 0.51909 1.00000
U4 U 0.29141 0.70854 0.01909 1.00000
Tc1 Tc 0.57763 0.42237 0.25000 1.00000
Tc2 Tc 0.85717 0.14283 0.75000 1.00000
Tc3 Tc 0.14283 0.85717 0.25000 1.00000
Tc4 Tc 0.42237 0.57763 0.75000 1.00000
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