Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1259911

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-1259911
  • 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: 46
  • Number of elements: 4
  • Element list: ['Ti', 'Zn', 'Si', 'O']
  • Chemical System: O-Si-Ti-Zn
  • Density: 3.894196231132281
  • Atomic Density: 0.08584860521768309
  • Unit Cell Volume: 535.8269931510189
  • Molar Volume: 7.014838208180416
  • Full Formula: Ti4 Zn6 Si8 O28
  • Reduced Formula: Ti2Zn3(Si2O7)2
  • Formula Anonymous: A2B3C4D14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -349.41453257
  • Final energy per atom: -7.595968099347826
  • 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.