Nd8Er6H
Alexandria ALEXAlex-ID: agm072932680 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_606_spg2
NdEr2 ErH2 Nd
2024-10-06 12:18:23.058647
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072932680).
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 agm072932680
data_agm072932680
_cell_length_a 6.24911
_cell_length_b 8.07023
_cell_length_c 9.54435
_cell_angle_alpha 85.37341
_cell_angle_beta 77.55830
_cell_angle_gamma 82.48787
_cell_volume 465.31514
_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 0.74754 0.00028 0.25297 1.00000
Nd2 Nd 0.25246 0.99972 0.74703 1.00000
Nd3 Nd 0.68235 0.14639 0.89241 1.00000
Nd4 Nd 0.95826 0.57046 0.32459 1.00000
Nd5 Nd 0.10655 0.28374 0.03713 1.00000
Nd6 Nd 0.31765 0.85361 0.10759 1.00000
Nd7 Nd 0.04174 0.42954 0.67541 1.00000
Nd8 Nd 0.89345 0.71626 0.96287 1.00000
Er1 Er 0.53288 0.42861 0.18240 1.00000
Er2 Er 0.39207 0.71463 0.46587 1.00000
Er3 Er 0.82222 0.85690 0.60532 1.00000
Er4 Er 0.46712 0.57139 0.81760 1.00000
Er5 Er 0.60793 0.28537 0.53413 1.00000
Er6 Er 0.17778 0.14310 0.39468 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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