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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222251

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-1222251
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Mg', 'Te', 'Pb', 'W', 'O']
  • Chemical System: Mg-O-Pb-Te-W
  • Density: 8.57428029008283
  • Atomic Density: 0.07581773646776853
  • Unit Cell Volume: 395.68577746651056
  • Molar Volume: 7.94291816211121
  • Full Formula: Mg3 Te2 Pb6 W1 O18
  • Reduced Formula: Mg3Te2Pb6WO18
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -193.95745254
  • Final energy per atom: -6.465248418
  • 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.