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  1. Third-Parties
  2. MatprojStructure
  3. mp-774679

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-774679
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ti', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-Ti
  • Density: 3.5086600464919706
  • Atomic Density: 0.08398212222376455
  • Unit Cell Volume: 285.77510742171603
  • Molar Volume: 7.170741344157061
  • Full Formula: Ti1 Ni3 P4 O16
  • Reduced Formula: TiNi3(PO4)4
  • Formula Anonymous: AB3C4D16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -181.12831312
  • Final energy per atom: -7.547013046666667
  • 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.