Nd7ErTm3
Alexandria ALEXAlex-ID: agm005977867 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_304_spg15
ErTm2 ErTm5 Nd
2023-08-12 07:41:13.856052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005977867).
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 agm005977867
data_agm005977867
_cell_length_a 10.26364
_cell_length_b 10.26454
_cell_length_c 12.60495
_cell_angle_alpha 65.28433
_cell_angle_beta 114.71687
_cell_angle_gamma 139.13557
_cell_volume 777.55567
_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 0.16336 0.84772 0.27260 1.00000
Nd2 Nd 0.15199 0.83669 0.77252 1.00000
Nd3 Nd 0.08432 0.41974 0.47170 1.00000
Nd4 Nd 0.08745 0.42001 0.97478 1.00000
Nd5 Nd 0.58013 0.91563 0.97168 1.00000
Nd6 Nd 0.57999 0.91239 0.47491 1.00000
Nd7 Nd 0.29329 0.29342 0.74996 1.00000
Nd8 Nd 0.70671 0.70658 0.25004 1.00000
Nd9 Nd 0.41987 0.08437 0.02832 1.00000
Nd10 Nd 0.42001 0.08761 0.52509 1.00000
Nd11 Nd 0.91255 0.57999 0.02521 1.00000
Nd12 Nd 0.91568 0.58026 0.52830 1.00000
Nd13 Nd 0.84801 0.16331 0.22748 1.00000
Nd14 Nd 0.83664 0.15228 0.72740 1.00000
Er1 Er 0.50000 0.50000 1.00000 1.00000
Er2 Er 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.32513 0.66857 0.72609 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.33162 0.67487 0.22614 1.00000
Tm5 Tm 0.66838 0.32513 0.77386 1.00000
Tm6 Tm 0.67487 0.33143 0.27391 1.00000
