Nd3Er2TmAs6
Alexandria ALEXAlex-ID: agm004648570 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
ErTmAs2 Er3TmAs4 NdAs
2022-07-01 15:08:57.348123
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004648570).
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 agm004648570
data_agm004648570
_cell_length_a 7.23542
_cell_length_b 7.23542
_cell_length_c 7.22518
_cell_angle_alpha 99.59751
_cell_angle_beta 99.59751
_cell_angle_gamma 119.98783
_cell_volume 308.86867
_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 0.16686 0.83314 0.50000 1.00000
Nd2 Nd 0.83314 0.16686 0.50000 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.33341 0.66659 0.00000 1.00000
Er2 Er 0.66659 0.33341 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
As1 As 0.92074 0.58804 0.76213 1.00000
As2 As 0.74671 0.74671 0.23809 1.00000
As3 As 0.07926 0.41196 0.23787 1.00000
As4 As 0.58804 0.92074 0.76213 1.00000
As5 As 0.25329 0.25329 0.76191 1.00000
As6 As 0.41196 0.07926 0.23787 1.00000
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