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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042654

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-1042654
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Zn', 'Cu', 'Sn', 'O']
  • Chemical System: Cu-O-Sn-Zn
  • Density: 6.62541486642216
  • Atomic Density: 0.08646669031607182
  • Unit Cell Volume: 231.30294367567043
  • Molar Volume: 6.964694425086195
  • Full Formula: Zn1 Cu3 Sn4 O12
  • Reduced Formula: ZnCu3(SnO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -120.28186756
  • Final energy per atom: -6.014093378
  • 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.