NdTm2US8
Alexandria ALEXAlex-ID: agm004913402 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
US3 Tm2S3 NdS2
2023-01-06 10:44:57.767125
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004913402).
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 agm004913402
data_agm004913402
_cell_length_a 6.26396
_cell_length_b 5.91095
_cell_length_c 8.24226
_cell_angle_alpha 89.96618
_cell_angle_beta 90.00020
_cell_angle_gamma 90.47608
_cell_volume 305.16731
_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 0.00000 0.50000 1.00000
Tm1 Tm 0.49998 0.49977 0.75696 1.00000
Tm2 Tm 0.50002 0.50023 0.24304 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
S1 S 0.13583 0.74874 0.22879 1.00000
S2 S 0.65855 0.75230 0.99980 1.00000
S3 S 0.86374 0.25091 0.22854 1.00000
S4 S 0.86417 0.25126 0.77121 1.00000
S5 S 0.34145 0.24770 0.00020 1.00000
S6 S 0.13626 0.74909 0.77146 1.00000
S7 S 0.57587 0.77771 0.50000 1.00000
S8 S 0.42413 0.22229 0.50000 1.00000
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