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  1. Third-Parties
  2. MatprojStructure
  3. mp-2868

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-2868
  • 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: 41
  • Number of elements: 3
  • Element list: ['Th', 'Ru', 'C']
  • Chemical System: C-Ru-Th
  • Density: 10.406345217804953
  • Atomic Density: 0.06453444577738417
  • Unit Cell Volume: 635.3196266910265
  • Molar Volume: 9.331668828107354
  • Full Formula: Th11 Ru12 C18
  • Reduced Formula: Th11(Ru2C3)6
  • Formula Anonymous: A11B12C18
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -370.99013423
  • Final energy per atom: -9.048539859268294
  • 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.