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  1. Third-Parties
  2. MatprojStructure
  3. mp-3182

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-3182
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Th', 'B', 'C']
  • Chemical System: B-C-Th
  • Density: 9.722843152236607
  • Atomic Density: 0.062143586164602624
  • Unit Cell Volume: 128.73412195443672
  • Molar Volume: 9.690687537807802
  • Full Formula: Th3 B2 C3
  • Reduced Formula: Th3B2C3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -66.64398544
  • Final energy per atom: -8.33049818
  • 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.