Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-559208

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-559208
  • 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: 22
  • Number of elements: 4
  • Element list: ['Sr', 'Ti', 'Si', 'O']
  • Chemical System: O-Si-Sr-Ti
  • Density: 3.5489257502243228
  • Atomic Density: 0.07742153552574593
  • Unit Cell Volume: 284.1586627106365
  • Molar Volume: 7.778379386440074
  • Full Formula: Sr2 Ti2 Si4 O14
  • Reduced Formula: SrTiSi2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -184.85529617
  • Final energy per atom: -8.402513462272728
  • 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.