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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181934

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-1181934
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 7
  • Element list: ['Mg', 'H', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-H-Mg-N-O-S
  • Density: 1.3637065505574382
  • Atomic Density: 0.061983220937270135
  • Unit Cell Volume: 1774.6738284434275
  • Molar Volume: 9.715759634522195
  • Full Formula: Mg2 H32 C8 S8 N4 O32 F24
  • Reduced Formula: MgH16C4S4N2(O4F3)4
  • Formula Anonymous: AB2C4D4E12F16G16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -585.59986671
  • Final energy per atom: -5.323635151909091
  • 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.