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  1. Third-Parties
  2. MatprojStructure
  3. mp-541102

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-541102
  • 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: 38
  • Number of elements: 3
  • Element list: ['Sc', 'C', 'I']
  • Chemical System: C-I-Sc
  • Density: 4.365134162302814
  • Atomic Density: 0.029559082031404352
  • Unit Cell Volume: 1285.5608966350103
  • Molar Volume: 20.37323335549432
  • Full Formula: Sc12 C4 I22
  • Reduced Formula: Sc6C2I11
  • Formula Anonymous: A2B6C11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -197.75242883
  • Final energy per atom: -5.204011285
  • 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.