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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193000

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-1193000
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 5
  • Element list: ['Ni', 'C', 'S', 'N', 'O']
  • Chemical System: C-N-Ni-O-S
  • Density: 1.4770416323908848
  • Atomic Density: 0.04496325960025173
  • Unit Cell Volume: 511.5287504616599
  • Molar Volume: 13.393470165508832
  • Full Formula: Ni1 C4 S4 N2 O12
  • Reduced Formula: NiC4S4(NO6)2
  • Formula Anonymous: AB2C4D4E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -142.39299365
  • Final energy per atom: -6.190999723913043
  • 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.