Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1046534

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-1046534
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Mg', 'Ti', 'Si', 'O']
  • Chemical System: Mg-O-Si-Ti
  • Density: 3.3618414244861192
  • Atomic Density: 0.08985287924817732
  • Unit Cell Volume: 178.0688624991899
  • Molar Volume: 6.702223468395044
  • Full Formula: Mg2 Ti2 Si2 O10
  • Reduced Formula: MgTiSiO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -131.2602488
  • Final energy per atom: -8.20376555
  • 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.