Nd3(ErTm)4
Alexandria ALEXAlex-ID: agm005698024 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
ErTm2 Er2Tm Nd
2023-07-02 01:42:01.236077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698024).
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 agm005698024
data_agm005698024
_cell_length_a 3.55204
_cell_length_b 4.99822
_cell_length_c 19.77374
_cell_angle_alpha 97.28195
_cell_angle_beta 95.05455
_cell_angle_gamma 89.99940
_cell_volume 346.85320
_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 0.63656 0.63653 0.27449 1.00000
Nd2 Nd 0.36341 0.36348 0.72550 1.00000
Nd3 Nd 0.00002 0.00002 0.00001 1.00000
Er1 Er 0.54631 0.54509 0.09242 1.00000
Er2 Er 0.45371 0.45494 0.90758 1.00000
Er3 Er 0.81750 0.81643 0.63334 1.00000
Er4 Er 0.18243 0.18360 0.36666 1.00000
Tm1 Tm 0.09218 0.08939 0.18189 1.00000
Tm2 Tm 0.27160 0.27213 0.54451 1.00000
Tm3 Tm 0.72829 0.72790 0.45550 1.00000
Tm4 Tm 0.90784 0.91064 0.81812 1.00000
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