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  1. Third-Parties
  2. MatprojStructure
  3. mp-726071

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-726071
  • 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: 74
  • Number of elements: 5
  • Element list: ['Mg', 'Zr', 'Tl', 'Mo', 'O']
  • Chemical System: Mg-Mo-O-Tl-Zr
  • Density: 5.334877265443171
  • Atomic Density: 0.05579422929265753
  • Unit Cell Volume: 1326.3020376506631
  • Molar Volume: 10.793483190550154
  • Full Formula: Mg1 Zr3 Tl10 Mo12 O48
  • Reduced Formula: MgZr3Tl10(MoO4)12
  • Formula Anonymous: AB3C10D12E48
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -572.98422348
  • Final energy per atom: -7.743030047027027
  • 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.