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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214645

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-1214645
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Ba', 'Ti', 'Si', 'O']
  • Chemical System: Ba-O-Si-Ti
  • Density: 4.2207069474863985
  • Atomic Density: 0.07349219829949923
  • Unit Cell Volume: 1061.3371460482151
  • Molar Volume: 8.194258573485936
  • Full Formula: Ba8 Ti12 Si8 O50
  • Reduced Formula: Ba4Ti6Si4O25
  • Formula Anonymous: A4B4C6D25
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -659.53209426
  • Final energy per atom: -8.45553967
  • 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.