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  1. Third-Parties
  2. MatprojStructure
  3. mp-27314

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-27314
  • 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: 20
  • Number of elements: 3
  • Element list: ['Sb', 'Cl', 'F']
  • Chemical System: Cl-F-Sb
  • Density: 3.083002352941186
  • Atomic Density: 0.060046120934134035
  • Unit Cell Volume: 333.07730272765593
  • Molar Volume: 10.029192004935382
  • Full Formula: Sb2 Cl2 F16
  • Reduced Formula: SbClF8
  • Formula Anonymous: ABC8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -82.12462255999998
  • Final energy per atom: -4.106231127999999
  • 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.