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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042747

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-1042747
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ni', 'As', 'O']
  • Chemical System: As-Ni-O
  • Density: 3.521390315768859
  • Atomic Density: 0.0661596398984607
  • Unit Cell Volume: 604.5982121636466
  • Molar Volume: 9.10243884223456
  • Full Formula: Ni4 As8 O28
  • Reduced Formula: NiAs2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -243.59735889
  • Final energy per atom: -6.08993397225
  • 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.