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  1. Third-Parties
  2. MatprojStructure
  3. mp-849432

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-849432
  • 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: 108
  • Number of elements: 5
  • Element list: ['Ni', 'H', 'S', 'N', 'O']
  • Chemical System: H-N-Ni-O-S
  • Density: 2.1103721284566856
  • Atomic Density: 0.10626019009810252
  • Unit Cell Volume: 1016.3731111368354
  • Molar Volume: 5.667353648097358
  • Full Formula: Ni4 H48 S8 N8 O40
  • Reduced Formula: NiH12S2(NO5)2
  • Formula Anonymous: AB2C2D10E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -616.0312071000001
  • Final energy per atom: -5.703992658333334
  • 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.