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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200841

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-1200841
  • 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: 42
  • Number of elements: 5
  • Element list: ['Ni', 'Ag', 'P', 'H', 'O']
  • Chemical System: Ag-H-Ni-O-P
  • Density: 4.741125570191499
  • Atomic Density: 0.08846865349567694
  • Unit Cell Volume: 474.74442461195986
  • Molar Volume: 6.807089881043883
  • Full Formula: Ni6 Ag4 P6 H2 O24
  • Reduced Formula: Ni3Ag2P3HO12
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -282.32539552
  • Final energy per atom: -6.722033226666666
  • 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.