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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181459

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-1181459
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['H', 'S', 'N']
  • Chemical System: H-N-S
  • Density: 1.1224697795270762
  • Atomic Density: 0.09200163675527516
  • Unit Cell Volume: 782.594772650843
  • Molar Volume: 6.545688720754965
  • Full Formula: H48 S8 N16
  • Reduced Formula: H6SN2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -342.79248195
  • Final energy per atom: -4.761006693750001
  • 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.