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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211383

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-1211383
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Li', 'Ni', 'Mo', 'O']
  • Chemical System: Li-Mo-Ni-O
  • Density: 4.170685174308922
  • Atomic Density: 0.07809310748126769
  • Unit Cell Volume: 973.1972827208886
  • Molar Volume: 7.7114881892035605
  • Full Formula: Li8 Ni8 Mo12 O48
  • Reduced Formula: Li2Ni2(MoO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -576.65409104
  • Final energy per atom: -7.587553829473684
  • 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.