Nd3TeOsCl
Alexandria ALEXAlex-ID: agm005036699 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_375_spg11
Nd2Os2Cl Nd6Te5Os Nd3OsCl3 Nd5Os2
2022-07-05 15:45:59.941821
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005036699).
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 agm005036699
data_agm005036699
_cell_length_a 4.38117
_cell_length_b 8.70070
_cell_length_c 9.80179
_cell_angle_alpha 96.66899
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 371.10871
_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 0.75000 0.80721 0.11982 1.00000
Nd2 Nd 0.25000 0.19279 0.88018 1.00000
Nd3 Nd 0.25000 0.66108 0.39363 1.00000
Nd4 Nd 0.75000 0.33892 0.60637 1.00000
Nd5 Nd 0.75000 0.36842 0.17250 1.00000
Nd6 Nd 0.25000 0.63158 0.82750 1.00000
Te1 Te 0.25000 0.09483 0.18632 1.00000
Te2 Te 0.75000 0.90517 0.81368 1.00000
Os1 Os 0.25000 0.57310 0.11023 1.00000
Os2 Os 0.75000 0.42690 0.88977 1.00000
Cl1 Cl 0.25000 0.13995 0.58205 1.00000
Cl2 Cl 0.75000 0.86005 0.41795 1.00000
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