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  1. Third-Parties
  2. MatprojStructure
  3. mp-18281

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-18281
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Ti', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-Ti
  • Density: 3.5130155958091076
  • Atomic Density: 0.08431570621920714
  • Unit Cell Volume: 355.8055947726379
  • Molar Volume: 7.142371249721152
  • Full Formula: Ti4 Ni2 P4 O20
  • Reduced Formula: Ti2Ni(PO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -250.23558703
  • Final energy per atom: -8.341186234333334
  • 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.