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  1. Third-Parties
  2. MatprojStructure
  3. mp-15361

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-15361
  • 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: 78
  • Number of elements: 3
  • Element list: ['V', 'P', 'O']
  • Chemical System: O-P-V
  • Density: 2.8603459700415277
  • Atomic Density: 0.07779209069102719
  • Unit Cell Volume: 1002.6726278613411
  • Molar Volume: 7.741327822025762
  • Full Formula: V6 P18 O54
  • Reduced Formula: V(PO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -626.0771616799999
  • Final energy per atom: -8.026630277948717
  • 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.