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  1. Third-Parties
  2. MatprojStructure
  3. mp-558509

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-558509
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ba', 'V', 'Si', 'O']
  • Chemical System: Ba-O-Si-V
  • Density: 3.9625900501436573
  • Atomic Density: 0.0736447893091002
  • Unit Cell Volume: 597.4625009153631
  • Molar Volume: 8.177280180304422
  • Full Formula: Ba4 V4 Si8 O28
  • Reduced Formula: BaVSi2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -362.8296961200001
  • Final energy per atom: -8.24612945727273
  • 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.