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  1. Third-Parties
  2. MatprojStructure
  3. mp-6081

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-6081
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Ba', 'Ti', 'Si', 'O']
  • Chemical System: Ba-O-Si-Ti
  • Density: 4.242614783313579
  • Atomic Density: 0.06555229824578335
  • Unit Cell Volume: 396.6298771480899
  • Molar Volume: 9.186772883874252
  • Full Formula: Ba4 Ti2 Si4 O16
  • Reduced Formula: Ba2Ti(SiO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 100
  • Spacegroup Symbol: P4bm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -213.8698192
  • Final energy per atom: -8.225762276923076
  • 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.