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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197998

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-1197998
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Na', 'Te', 'P', 'O']
  • Chemical System: Na-O-P-Te
  • Density: 2.5550849197930705
  • Atomic Density: 0.06377953225558135
  • Unit Cell Volume: 627.1604476450138
  • Molar Volume: 9.44212123705721
  • Full Formula: Na6 Te2 P4 O28
  • Reduced Formula: Na3Te(PO7)2
  • Formula Anonymous: AB2C3D14
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -231.46196352
  • Final energy per atom: -5.786549088
  • 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.