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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200963

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-1200963
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['V', 'P', 'N', 'O']
  • Chemical System: N-O-P-V
  • Density: 2.7361948598313357
  • Atomic Density: 0.07493336891511278
  • Unit Cell Volume: 854.0921211283255
  • Molar Volume: 8.036660899127728
  • Full Formula: V8 P8 N8 O40
  • Reduced Formula: VPNO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 34
  • Spacegroup Symbol: Pnn2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -475.73359497
  • Final energy per atom: -7.43333742140625
  • 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.