Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1199918

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1199918
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['V', 'P', 'C', 'N', 'O']
  • Chemical System: C-N-O-P-V
  • Density: 2.2712434035992324
  • Atomic Density: 0.06753514025871195
  • Unit Cell Volume: 799.5837395634055
  • Molar Volume: 8.917047831588906
  • Full Formula: V6 P4 C4 N12 O28
  • Reduced Formula: V3P2C2(N3O7)2
  • Formula Anonymous: A2B2C3D6E14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -398.5382083
  • Final energy per atom: -7.3803371907407405
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.