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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233426

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-1233426
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'V', 'Si', 'O']
  • Chemical System: Ba-Ca-O-Si-V
  • Density: 3.894760690371186
  • Atomic Density: 0.07164636916475008
  • Unit Cell Volume: 321.02115247615325
  • Molar Volume: 8.405367683255728
  • Full Formula: Ba2 Ca1 V2 Si4 O14
  • Reduced Formula: Ba2CaV2(Si2O7)2
  • Formula Anonymous: AB2C2D4E14
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -185.01822232
  • Final energy per atom: -8.044270535652174
  • 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.