Nd8Er2Tl
Alexandria ALEXAlex-ID: agm003516638 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_278_spg12
NdEr2 Nd5Tl3 Nd
2022-03-16 02:04:43.968997
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003516638).
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 agm003516638
data_agm003516638
_cell_length_a 5.06256
_cell_length_b 8.11789
_cell_length_c 9.54161
_cell_angle_alpha 105.17033
_cell_angle_beta 105.38410
_cell_angle_gamma 90.00000
_cell_volume 363.89159
_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 0.40890 0.55624 0.81780 1.00000
Nd2 Nd 0.67958 0.90862 0.35917 1.00000
Nd3 Nd 0.86300 0.81941 0.72599 1.00000
Nd4 Nd 0.95463 0.27374 0.90926 1.00000
Nd5 Nd 0.13700 0.18059 0.27401 1.00000
Nd6 Nd 0.32042 0.09138 0.64083 1.00000
Nd7 Nd 0.59110 0.44376 0.18220 1.00000
Nd8 Nd 0.04537 0.72626 0.09074 1.00000
Er1 Er 0.77518 0.36717 0.55035 1.00000
Er2 Er 0.22482 0.63283 0.44965 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
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