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  1. Third-Parties
  2. MatprojStructure
  3. mp-555961

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-555961
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Ca', 'Zn', 'Te', 'O']
  • Chemical System: Ca-O-Te-Zn
  • Density: 4.6331057606714445
  • Atomic Density: 0.07307294236307703
  • Unit Cell Volume: 1094.796478873186
  • Molar Volume: 8.241273124158367
  • Full Formula: Ca12 Zn12 Te8 O48
  • Reduced Formula: Ca3Zn3(TeO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 214
  • Spacegroup Symbol: I4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -477.84595894
  • Final energy per atom: -5.97307448675
  • 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.