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  1. Third-Parties
  2. MatprojStructure
  3. mp-1043146

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-1043146
  • 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: 56
  • Number of elements: 5
  • Element list: ['Mg', 'Ni', 'Mo', 'P', 'O']
  • Chemical System: Mg-Mo-Ni-O-P
  • Density: 3.666123076281883
  • Atomic Density: 0.08030822807515384
  • Unit Cell Volume: 697.3133555828704
  • Molar Volume: 7.498784252049958
  • Full Formula: Mg4 Ni4 Mo4 P8 O36
  • Reduced Formula: MgNiMoP2O9
  • Formula Anonymous: ABCD2E9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -429.79667553
  • Final energy per atom: -7.674940634464286
  • 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.