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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217614

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-1217614
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['V', 'Ni', 'H', 'S', 'O']
  • Chemical System: H-Ni-O-S-V
  • Density: 1.8518586741784964
  • Atomic Density: 0.10413094831735695
  • Unit Cell Volume: 921.9161214917924
  • Molar Volume: 5.7832381797258705
  • Full Formula: V3 Ni1 H48 S4 O40
  • Reduced Formula: V3NiH48(SO10)4
  • Formula Anonymous: AB3C4D40E48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -549.72318173
  • Final energy per atom: -5.726283143020833
  • 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.