SrTm2NpO8
Alexandria ALEXAlex-ID: agm004906384 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_437_spg47
SrTmNpO6 Sr2NpO5 Tm6NpO12 SrO10
2023-01-09 06:31:05.463904
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004906384).
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 agm004906384
data_agm004906384
_cell_length_a 3.96476
_cell_length_b 5.28163
_cell_length_c 7.60159
_cell_angle_alpha 90.00003
_cell_angle_beta 89.99993
_cell_angle_gamma 93.29677
_cell_volume 158.91671
_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
Sr1 Sr 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.50000 0.50000 0.76124 1.00000
Tm2 Tm 0.50000 0.50000 0.23876 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
O1 O 0.02217 0.75449 0.20886 1.00000
O2 O 0.53160 0.76788 0.00000 1.00000
O3 O 0.97783 0.24551 0.20886 1.00000
O4 O 0.97783 0.24551 0.79114 1.00000
O5 O 0.46840 0.23212 1.00000 1.00000
O6 O 0.02217 0.75449 0.79114 1.00000
O7 O 0.49119 0.70650 0.50000 1.00000
O8 O 0.50881 0.29350 0.50000 1.00000
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