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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220083

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-1220083
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ni', 'Sn', 'S']
  • Chemical System: Ni-S-Sn
  • Density: 7.95134680035465
  • Atomic Density: 0.07501816552732314
  • Unit Cell Volume: 173.29136094730464
  • Molar Volume: 8.027576677820274
  • Full Formula: Ni9 Sn2 S2
  • Reduced Formula: Ni9(SnS)2
  • Formula Anonymous: A2B2C9
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -72.60013639
  • Final energy per atom: -5.584625876153846
  • 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.