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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194850

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-1194850
  • 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: 98
  • Number of elements: 5
  • Element list: ['Mn', 'As', 'H', 'S', 'N']
  • Chemical System: As-H-Mn-N-S
  • Density: 1.9436071589120465
  • Atomic Density: 0.07777185113958135
  • Unit Cell Volume: 1260.0960188553838
  • Molar Volume: 7.74334244557422
  • Full Formula: Mn6 As4 H52 S16 N20
  • Reduced Formula: Mn3As2H26(S4N5)2
  • Formula Anonymous: A2B3C8D10E26
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -526.16295079
  • Final energy per atom: -5.369009701938775
  • 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.