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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195144

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-1195144
  • 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: 42
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'N', 'F']
  • Chemical System: C-F-H-N-Sb
  • Density: 2.9004172950240474
  • Atomic Density: 0.068110431685152
  • Unit Cell Volume: 616.645629176888
  • Molar Volume: 8.841730423671386
  • Full Formula: Sb4 H6 C2 N2 F28
  • Reduced Formula: Sb2H3CNF14
  • Formula Anonymous: ABC2D3E14
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -216.9061963
  • Final energy per atom: -5.164433245238095
  • 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.