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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195801

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-1195801
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['Mn', 'As', 'H', 'S', 'N']
  • Chemical System: As-H-Mn-N-S
  • Density: 1.9693547868325352
  • Atomic Density: 0.06891895759889469
  • Unit Cell Volume: 1799.2146764853087
  • Molar Volume: 8.738003257461605
  • Full Formula: Mn4 As8 H64 S32 N16
  • Reduced Formula: MnAs2H16(S2N)4
  • Formula Anonymous: AB2C4D8E16
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -618.46785883
  • Final energy per atom: -4.987644022822581
  • 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.