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  1. Third-Parties
  2. MatprojStructure
  3. mp-10448

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-10448
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Tl', 'Te', 'Mo', 'P', 'O']
  • Chemical System: Mo-O-P-Te-Tl
  • Density: 5.0129201405269175
  • Atomic Density: 0.06250913516327669
  • Unit Cell Volume: 1343.8035861572585
  • Molar Volume: 9.634017082894998
  • Full Formula: Tl8 Te4 Mo8 P8 O56
  • Reduced Formula: Tl2TeMo2(PO7)2
  • Formula Anonymous: AB2C2D2E14
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -612.14692196
  • Final energy per atom: -7.287463356666667
  • 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.