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  1. Third-Parties
  2. MatprojStructure
  3. mp-557332

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-557332
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 3
  • Element list: ['V', 'P', 'O']
  • Chemical System: O-P-V
  • Density: 2.97905658762889
  • Atomic Density: 0.07664723383774426
  • Unit Cell Volume: 1617.801371181869
  • Molar Volume: 7.856957724982438
  • Full Formula: V16 P24 O84
  • Reduced Formula: V4(P2O7)3
  • Formula Anonymous: A4B6C21
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1008.50655588
  • Final energy per atom: -8.133117386129031
  • 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.