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  1. Third-Parties
  2. MatprojStructure
  3. mp-504934

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-504934
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Sc', 'C', 'I']
  • Chemical System: C-I-Sc
  • Density: 4.425329221251642
  • Atomic Density: 0.03313050721448548
  • Unit Cell Volume: 1448.8157301441256
  • Molar Volume: 18.177025546312706
  • Full Formula: Sc16 C8 I24
  • Reduced Formula: Sc2CI3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -271.34109727
  • Final energy per atom: -5.652939526458333
  • 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.