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  1. Third-Parties
  2. MatprojStructure
  3. mp-4759

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-4759
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Zr', 'Te', 'O']
  • Chemical System: O-Te-Zr
  • Density: 5.1304569225509375
  • Atomic Density: 0.06158541208266172
  • Unit Cell Volume: 779.4053555340836
  • Molar Volume: 9.778518250258534
  • Full Formula: Zr4 Te12 O32
  • Reduced Formula: ZrTe3O8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -330.38527957
  • Final energy per atom: -6.883026657708334
  • 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.