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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214340

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-1214340
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['C', 'Br', 'Cl']
  • Chemical System: Br-C-Cl
  • Density: 2.133946239137033
  • Atomic Density: 0.05979924000518853
  • Unit Cell Volume: 1471.5906087161745
  • Molar Volume: 10.070597484980551
  • Full Formula: C60 Br4 Cl24
  • Reduced Formula: C15BrCl6
  • Formula Anonymous: AB6C15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -604.04540213
  • Final energy per atom: -6.864152296931818
  • 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.