Er2Tl(PN3)2
Alexandria ALEXAlex-ID: agm004576341 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_23_spg12
TlN TlP4N7 ErN
2022-06-24 07:35:45.283632
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004576341).
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 agm004576341
data_agm004576341
_cell_length_a 6.21158
_cell_length_b 6.43384
_cell_length_c 6.35590
_cell_angle_alpha 117.08803
_cell_angle_beta 89.96233
_cell_angle_gamma 61.18832
_cell_volume 190.10027
_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
Er1 Er 0.82517 0.34969 0.80232 1.00000
Er2 Er 0.17483 0.65031 0.19768 1.00000
Tl1 Tl 0.50000 0.00000 0.50000 1.00000
P1 P 0.15495 0.69093 0.75525 1.00000
P2 P 0.84505 0.30907 0.24475 1.00000
N1 N 0.40925 0.60295 0.83668 1.00000
N2 N 0.01107 0.39787 0.16382 1.00000
N3 N 0.06646 0.86801 0.62980 1.00000
N4 N 0.98893 0.60213 0.83618 1.00000
N5 N 0.93354 0.13199 0.37020 1.00000
N6 N 0.59075 0.39705 0.16332 1.00000
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