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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227625

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-1227625
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Tl', 'O']
  • Chemical System: Ca-O-Tl
  • Density: 7.725433173597779
  • Atomic Density: 0.06881166780998466
  • Unit Cell Volume: 232.51870662664538
  • Molar Volume: 8.751627378992522
  • Full Formula: Ca3 Tl4 O9
  • Reduced Formula: Ca3Tl4O9
  • Formula Anonymous: A3B4C9
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -90.92918503
  • Final energy per atom: -5.683074064375
  • 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.