Nd4ErTm7
Alexandria ALEXAlex-ID: agm003669905 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
ErTm5 Nd NdTm2
2022-04-20 12:08:44.517867
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669905).
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 agm003669905
data_agm003669905
_cell_length_a 5.85619
_cell_length_b 11.73688
_cell_length_c 6.66943
_cell_angle_alpha 84.63591
_cell_angle_beta 63.95783
_cell_angle_gamma 75.55337
_cell_volume 398.77957
_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 0.63849 0.22432 0.49871 1.00000
Nd2 Nd 0.36151 0.77568 0.50129 1.00000
Nd3 Nd 0.70874 0.70428 0.87823 1.00000
Nd4 Nd 0.29126 0.29572 0.12177 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.79139 0.91867 0.49855 1.00000
Tm2 Tm 0.20861 0.08133 0.50145 1.00000
Tm3 Tm 0.03627 0.63315 0.29432 1.00000
Tm4 Tm 0.96373 0.36685 0.70568 1.00000
Tm5 Tm 0.35588 0.51318 0.77506 1.00000
Tm6 Tm 0.50000 0.00000 0.00000 1.00000
Tm7 Tm 0.64412 0.48682 0.22494 1.00000
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