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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208416

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-1208416
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Ti', 'P', 'N', 'O']
  • Chemical System: N-O-P-Ti
  • Density: 2.46934600537695
  • Atomic Density: 0.06881082427733294
  • Unit Cell Volume: 784.7602549035037
  • Molar Volume: 8.751734662745147
  • Full Formula: Ti6 P8 N4 O36
  • Reduced Formula: Ti3P4(NO9)2
  • Formula Anonymous: A2B3C4D18
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -413.78190968
  • Final energy per atom: -7.662627957037038
  • 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.