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  1. Third-Parties
  2. MatprojStructure
  3. mp-605771

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-605771
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Tl', 'In', 'Mo', 'O']
  • Chemical System: In-Mo-O-Tl
  • Density: 5.165117969144004
  • Atomic Density: 0.05840627992975446
  • Unit Cell Volume: 821.8294343986614
  • Molar Volume: 10.310776113874844
  • Full Formula: Tl4 In4 Mo8 O32
  • Reduced Formula: TlIn(MoO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -356.86677268
  • Final energy per atom: -7.434724430833334
  • 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.