Pr3(NdEr4)2
Alexandria ALEXAlex-ID: agm005609141 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_364_spg2
Pr2NdEr6 Pr(NdEr3)2 Pr
2023-06-16 09:00:10.573973
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609141).
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
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# CIF generated by HEAS from Alexandria entry agm005609141
data_agm005609141
_cell_length_a 6.21661
_cell_length_b 6.19560
_cell_length_c 11.30688
_cell_angle_alpha 79.32442
_cell_angle_beta 90.20565
_cell_angle_gamma 99.66956
_cell_volume 421.70340
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.53792 0.23075 0.07877 1.00000
Pr3 Pr 0.46208 0.76925 0.92123 1.00000
Nd1 Nd 0.76897 0.61558 0.53811 1.00000
Nd2 Nd 0.23103 0.38442 0.46189 1.00000
Er1 Er 0.07509 0.46335 0.15635 1.00000
Er2 Er 0.92491 0.53665 0.84365 1.00000
Er3 Er 0.15306 0.92348 0.30925 1.00000
Er4 Er 0.84694 0.07652 0.69075 1.00000
Er5 Er 0.30725 0.84716 0.61469 1.00000
Er6 Er 0.38572 0.30796 0.76670 1.00000
Er7 Er 0.61428 0.69204 0.23330 1.00000
Er8 Er 0.69275 0.15284 0.38531 1.00000
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