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  1. Third-Parties
  2. MatprojStructure
  3. mp-662721

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-662721
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Tc', 'C', 'I', 'O']
  • Chemical System: C-I-O-Tc
  • Density: 2.794454005359781
  • Atomic Density: 0.049944655258998306
  • Unit Cell Volume: 1601.7729942301835
  • Molar Volume: 12.057628046026041
  • Full Formula: Tc8 C32 I8 O32
  • Reduced Formula: TcC4IO4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -631.39551805
  • Final energy per atom: -7.8924439756249996
  • 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.