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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197343

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-1197343
  • 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: 86
  • Number of elements: 4
  • Element list: ['Na', 'Te', 'P', 'O']
  • Chemical System: Na-O-P-Te
  • Density: 2.342032232693113
  • Atomic Density: 0.06511681611755556
  • Unit Cell Volume: 1320.7033931871604
  • Molar Volume: 9.248211320910123
  • Full Formula: Na12 Te2 P12 O60
  • Reduced Formula: Na6Te(PO5)6
  • Formula Anonymous: AB6C6D30
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -513.60008004
  • Final energy per atom: -5.972093953953488
  • 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.