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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173581

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-1173581
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'P', 'O']
  • Chemical System: Na-O-P-Ti
  • Density: 2.806079289935828
  • Atomic Density: 0.07435003645308999
  • Unit Cell Volume: 860.79312200983
  • Molar Volume: 8.099714603098516
  • Full Formula: Na8 Ti8 P8 O40
  • Reduced Formula: NaTiPO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -506.84805073
  • Final energy per atom: -7.91950079265625
  • 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.