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  1. Third-Parties
  2. MatprojStructure
  3. mp-645568

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-645568
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Tl', 'Cr', 'Mo', 'O']
  • Chemical System: Cr-Mo-O-Tl
  • Density: 4.88399522144283
  • Atomic Density: 0.06124814976892565
  • Unit Cell Volume: 783.6971431968526
  • Molar Volume: 9.83236356154442
  • Full Formula: Tl4 Cr4 Mo8 O32
  • Reduced Formula: TlCr(MoO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -387.83336987000007
  • Final energy per atom: -8.079861872291668
  • 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.