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  1. Third-Parties
  2. MatprojStructure
  3. mp-1043472

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-1043472
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Ni', 'Mo', 'P', 'O']
  • Chemical System: Mo-Ni-O-P
  • Density: 3.304412122731482
  • Atomic Density: 0.07174509554542352
  • Unit Cell Volume: 724.7882186884477
  • Molar Volume: 8.39380129640672
  • Full Formula: Ni4 Mo4 P8 O36
  • Reduced Formula: NiMoP2O9
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -402.64691158
  • Final energy per atom: -7.743209838076923
  • 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.