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  1. Third-Parties
  2. MatprojStructure
  3. mp-735194

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-735194
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['V', 'Zn', 'P', 'N', 'O']
  • Chemical System: N-O-P-V-Zn
  • Density: 2.7886120982906757
  • Atomic Density: 0.0723296438483664
  • Unit Cell Volume: 718.9306795013956
  • Molar Volume: 8.325964901230485
  • Full Formula: V2 Zn4 P8 N6 O32
  • Reduced Formula: VZn2P4N3O16
  • Formula Anonymous: AB2C3D4E16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -344.52818423
  • Final energy per atom: -6.625542004423077
  • 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.