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  1. Third-Parties
  2. MatprojStructure
  3. mp-30521

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-30521
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Th', 'C', 'N']
  • Chemical System: C-N-Th
  • Density: 8.373448678428613
  • Atomic Density: 0.05862238288493403
  • Unit Cell Volume: 102.34998484754536
  • Molar Volume: 10.272766925596422
  • Full Formula: Th2 C2 N2
  • Reduced Formula: ThCN
  • Formula Anonymous: ABC
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -56.3269234
  • Final energy per atom: -9.387820566666667
  • 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.