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  1. Third-Parties
  2. MatprojStructure
  3. mp-557130

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-557130
  • 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: 64
  • Number of elements: 4
  • Element list: ['Zn', 'Te', 'Cl', 'O']
  • Chemical System: Cl-O-Te-Zn
  • Density: 3.823934389050194
  • Atomic Density: 0.04882463031504205
  • Unit Cell Volume: 1310.8138164495774
  • Molar Volume: 12.334227051268998
  • Full Formula: Zn16 Te8 Cl16 O24
  • Reduced Formula: Zn2TeCl2O3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -297.51812883
  • Final energy per atom: -4.64872076296875
  • 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.