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  1. Third-Parties
  2. MatprojStructure
  3. mp-699566

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-699566
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['Ba', 'V', 'Cd', 'P', 'O']
  • Chemical System: Ba-Cd-O-P-V
  • Density: 4.215129849914775
  • Atomic Density: 0.07014652694984713
  • Unit Cell Volume: 1596.6578085908227
  • Molar Volume: 8.585087561506313
  • Full Formula: Ba8 V8 Cd8 P16 O72
  • Reduced Formula: BaVCdP2O9
  • Formula Anonymous: ABCD2E9
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -843.3542026199999
  • Final energy per atom: -7.52994823767857
  • 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.