Rb2Np2TlO7
Alexandria ALEXAlex-ID: agm004590744 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_13_spg12
RbNpTlO4 Rb2NpO4 NpO2
2022-06-26 03:03:39.629725
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004590744).
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 agm004590744
data_agm004590744
_cell_length_a 4.33663
_cell_length_b 4.33663
_cell_length_c 11.84072
_cell_angle_alpha 79.47981
_cell_angle_beta 79.47981
_cell_angle_gamma 90.00383
_cell_volume 215.12896
_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
Rb1 Rb 0.81002 0.81002 0.38090 1.00000
Rb2 Rb 0.18998 0.18998 0.61910 1.00000
Np1 Np 0.59372 0.59372 0.81192 1.00000
Np2 Np 0.40628 0.40628 0.18808 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
O1 O 0.50000 0.50000 0.00000 1.00000
O2 O 0.32101 0.32101 0.35905 1.00000
O3 O 0.67899 0.67899 0.64095 1.00000
O4 O 0.90565 0.40565 0.18935 1.00000
O5 O 0.40565 0.90565 0.18935 1.00000
O6 O 0.59435 0.09435 0.81065 1.00000
O7 O 0.09435 0.59435 0.81065 1.00000
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