Navigation

HEAS Data Platform · Materials Science Database

SrV7N10

Alexandria ALEX

Alex-ID: agm006220249 · Space group: Pc (#7)

Basic Information

Formula
SrV7N10
Alex-ID
agm006220249
Elements
3
Sites
36
Space group
Pc (#7)
Crystal system
monoclinic
Volume
519.92
ų
Cell a
7.3965
Å
Cell b
7.0124
Å
Cell c
10.4194
Å
α angle
90.00
°
β angle
105.83
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrV7N10
Sr
2.00 · 5.6%
N
20.00 · 55.6%
V
14.00 · 38.9%

Energy & Stability

Energy above hull
0.2188
eV/atom
Formation energy
-1.0010
eV/atom
Corrected total energy
-326.1257
eV
Raw total energy
-326.1257
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0095
eV
DOS at Fermi level
22.9227
Total magnetisation
5.4110
μB

Additional Information

Prototype ID

AB7C10_0_spg7

Decomposition

Sr2VN3 SrN6 VN

Computed at

2024-01-29 09:46:20

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220249).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm006220249
data_agm006220249
_cell_length_a     7.39649
_cell_length_b     7.01239
_cell_length_c     10.41945
_cell_angle_alpha  90.00000
_cell_angle_beta   105.83471
_cell_angle_gamma  90.00000
_cell_volume       519.91870
_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 0.93044 0.03241 0.59632 1.00000
  Sr2 Sr 0.93044 0.96759 0.09632 1.00000
  N1 N 0.75284 0.87117 0.84287 1.00000
  N2 N 0.75284 0.12883 0.34287 1.00000
  N3 N 0.57664 0.13841 0.00048 1.00000
  N4 N 0.57664 0.86159 0.50048 1.00000
  N5 N 0.33780 0.87860 0.86092 1.00000
  N6 N 0.33780 0.12140 0.36092 1.00000
  N7 N 0.16820 0.18130 0.01887 1.00000
  N8 N 0.16820 0.81870 0.51887 1.00000
  N9 N 0.27591 0.50614 0.73096 1.00000
  N10 N 0.27591 0.49386 0.23096 1.00000
  N11 N 0.42272 0.13168 0.66922 1.00000
  N12 N 0.42272 0.86832 0.16922 1.00000
  N13 N 0.89528 0.34238 0.13867 1.00000
  N14 N 0.89528 0.65762 0.63867 1.00000
  N15 N 0.07517 0.61454 0.95112 1.00000
  N16 N 0.07517 0.38546 0.45112 1.00000
  N17 N 0.69544 0.45038 0.82199 1.00000
  N18 N 0.69544 0.54962 0.32199 1.00000
  N19 N 0.50703 0.54626 0.02421 1.00000
  N20 N 0.50703 0.45374 0.52421 1.00000
  V1 V 0.54182 0.01297 0.83110 1.00000
  V2 V 0.54182 0.98703 0.33110 1.00000
  V3 V 0.36063 0.02193 0.01864 1.00000
  V4 V 0.36063 0.97807 0.51864 1.00000
  V5 V 0.10038 0.40784 0.07562 1.00000
  V6 V 0.10038 0.59216 0.57562 1.00000
  V7 V 0.67532 0.37488 0.99237 1.00000
  V8 V 0.67532 0.62512 0.49237 1.00000
  V9 V 0.85590 0.64784 0.81273 1.00000
  V10 V 0.85590 0.35216 0.31273 1.00000
  V11 V 0.29257 0.62857 0.89207 1.00000
  V12 V 0.29257 0.37143 0.39207 1.00000
  V13 V 0.47822 0.38840 0.69114 1.00000
  V14 V 0.47822 0.61160 0.19114 1.00000
Get direct link