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  1. Third-Parties
  2. MatprojStructure
  3. mp-772505

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-772505
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Ni', 'S', 'O']
  • Chemical System: Ni-O-S
  • Density: 2.650268537865735
  • Atomic Density: 0.06999608167646507
  • Unit Cell Volume: 471.4549616153108
  • Molar Volume: 8.603539820750907
  • Full Formula: Ni3 S6 O24
  • Reduced Formula: Ni(SO4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -208.76119146
  • Final energy per atom: -6.32609671090909
  • 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.