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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193195

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-1193195
  • 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: 26
  • Number of elements: 4
  • Element list: ['Ca', 'Zn', 'Si', 'O']
  • Chemical System: Ca-O-Si-Zn
  • Density: 3.413664514457898
  • Atomic Density: 0.07526804792727247
  • Unit Cell Volume: 345.4321018810322
  • Molar Volume: 8.00092592519322
  • Full Formula: Ca2 Zn4 Si4 O16
  • Reduced Formula: CaZn2(SiO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -174.59033759
  • Final energy per atom: -6.715012984230769
  • 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.