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  1. Third-Parties
  2. MatprojStructure
  3. mp-778499

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-778499
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'V', 'Si', 'O']
  • Chemical System: Ba-O-Si-Sr-V
  • Density: 3.631336291716245
  • Atomic Density: 0.07686819000213314
  • Unit Cell Volume: 1144.8168611431847
  • Molar Volume: 7.834373047983673
  • Full Formula: Ba1 Sr7 V8 Si16 O56
  • Reduced Formula: BaSr7V8(Si2O7)8
  • Formula Anonymous: AB7C8D16E56
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -725.95497887
  • Final energy per atom: -8.24948839625
  • 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.