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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213451

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-1213451
  • 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: 75
  • Number of elements: 6
  • Element list: ['Cu', 'Si', 'H', 'C', 'N', 'F']
  • Chemical System: C-Cu-F-H-N-Si
  • Density: 2.1595310157420378
  • Atomic Density: 0.10226951716271644
  • Unit Cell Volume: 733.3563517335363
  • Molar Volume: 5.888500236505901
  • Full Formula: Cu2 Si3 H24 C8 N20 F18
  • Reduced Formula: Cu2Si3H24C8(N10F9)2
  • Formula Anonymous: A2B3C8D18E20F24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -472.38219297
  • Final energy per atom: -6.2984292396
  • 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.