Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220904

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-1220904
  • 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: 15
  • Number of elements: 3
  • Element list: ['Na', 'Pt', 'O']
  • Chemical System: Na-O-Pt
  • Density: 3.6372659927397417
  • Atomic Density: 0.06917114042312035
  • Unit Cell Volume: 216.8534436217893
  • Molar Volume: 8.706146411874261
  • Full Formula: Na8 Pt1 O6
  • Reduced Formula: Na8PtO6
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 75
  • Spacegroup Symbol: P4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -66.32821455999999
  • Final energy per atom: -4.421880970666666
  • 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.