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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203249

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-1203249
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 69
  • Number of elements: 5
  • Element list: ['Zn', 'Sb', 'H', 'S', 'N']
  • Chemical System: H-N-S-Sb-Zn
  • Density: 1.689642338559029
  • Atomic Density: 0.07511474404506184
  • Unit Cell Volume: 918.5946231622175
  • Molar Volume: 8.017255249365261
  • Full Formula: Zn3 Sb2 H42 S8 N14
  • Reduced Formula: Zn3Sb2H42(S4N7)2
  • Formula Anonymous: A2B3C8D14E42
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -338.93231991
  • Final energy per atom: -4.912062607391304
  • 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.