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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193813

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-1193813
  • 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: 26
  • Number of elements: 4
  • Element list: ['Ti', 'P', 'N', 'O']
  • Chemical System: N-O-P-Ti
  • Density: 2.5837777087254254
  • Atomic Density: 0.07103817726965839
  • Unit Cell Volume: 366.000381756769
  • Molar Volume: 8.477330065973074
  • Full Formula: Ti3 P4 N1 O18
  • Reduced Formula: Ti3P4NO18
  • Formula Anonymous: AB3C4D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -202.82873181
  • Final energy per atom: -7.801105069615384
  • 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.