Nd6Tm4Th
Alexandria ALEXAlex-ID: agm006090754 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_264_spg63
Tm2Th Nd NdTm2
2023-10-07 03:20:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006090754).
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 agm006090754
data_agm006090754
_cell_length_a 5.84749
_cell_length_b 5.66681
_cell_length_c 25.90252
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 121.06041
_cell_volume 735.25851
_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 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Nd3 Nd 0.12483 0.24967 0.31916 1.00000
Nd4 Nd 0.87517 0.75033 0.68084 1.00000
Nd5 Nd 0.87517 0.75033 0.81916 1.00000
Nd6 Nd 0.12483 0.24967 0.18084 1.00000
Nd7 Nd 0.80337 0.60673 0.40123 1.00000
Nd8 Nd 0.19663 0.39327 0.59877 1.00000
Nd9 Nd 0.19663 0.39327 0.90123 1.00000
Nd10 Nd 0.80337 0.60673 0.09877 1.00000
Nd11 Nd 0.45151 0.90303 0.25000 1.00000
Nd12 Nd 0.54849 0.09697 0.75000 1.00000
Tm1 Tm 0.84657 0.69315 0.54309 1.00000
Tm2 Tm 0.46017 0.92034 0.12426 1.00000
Tm3 Tm 0.15343 0.30685 0.45691 1.00000
Tm4 Tm 0.53983 0.07966 0.87574 1.00000
Tm5 Tm 0.84657 0.69315 0.95691 1.00000
Tm6 Tm 0.15343 0.30685 0.04309 1.00000
Tm7 Tm 0.53983 0.07966 0.62426 1.00000
Tm8 Tm 0.46017 0.92034 0.37574 1.00000
Th1 Th 0.79242 0.58485 0.25000 1.00000
Th2 Th 0.20758 0.41515 0.75000 1.00000
