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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188514

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-1188514
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['Th', 'C']
  • Chemical System: C-Th
  • Density: 10.585910862659652
  • Atomic Density: 0.06373605027905764
  • Unit Cell Volume: 313.79415436685116
  • Molar Volume: 9.448562836311732
  • Full Formula: Th8 C12
  • Reduced Formula: Th2C3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -175.32363419
  • Final energy per atom: -8.7661817095
  • 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.