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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233983

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-1233983
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 6
  • Element list: ['Mg', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: C-F-H-Mg-O-S
  • Density: 1.8613657577009608
  • Atomic Density: 0.06640078137291247
  • Unit Cell Volume: 557.222358456971
  • Molar Volume: 9.069382370937989
  • Full Formula: Mg1 H4 C4 S4 O12 F12
  • Reduced Formula: MgH4C4S4(OF)12
  • Formula Anonymous: AB4C4D4E12F12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -212.27780704
  • Final energy per atom: -5.737238028108108
  • 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.