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  1. Third-Parties
  2. MatprojStructure
  3. mp-510015

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-510015
  • 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: 24
  • Number of elements: 4
  • Element list: ['Ba', 'Co', 'Si', 'O']
  • Chemical System: Ba-Co-O-Si
  • Density: 4.389213557666858
  • Atomic Density: 0.06321614689869211
  • Unit Cell Volume: 379.64983912198136
  • Molar Volume: 9.526269877933027
  • Full Formula: Ba4 Co2 Si4 O14
  • Reduced Formula: Ba2CoSi2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -186.34112059
  • Final energy per atom: -7.764213357916667
  • 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.