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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219429

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-1219429
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Sc', 'C', 'O']
  • Chemical System: C-O-Sc
  • Density: 4.031788478179533
  • Atomic Density: 0.0823595711974102
  • Unit Cell Volume: 48.5675185269272
  • Molar Volume: 7.312010823326586
  • Full Formula: Sc2 C1 O1
  • Reduced Formula: Sc2CO
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -35.119115019999995
  • Final energy per atom: -8.779778754999999
  • 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.