Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1211386

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-1211386
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Li', 'Pr', 'Te', 'O']
  • Chemical System: Li-O-Pr-Te
  • Density: 5.67972607007473
  • Atomic Density: 0.0767994204452245
  • Unit Cell Volume: 1041.6745274407147
  • Molar Volume: 7.841388287943084
  • Full Formula: Li12 Pr12 Te8 O48
  • Reduced Formula: Li3Pr3(TeO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -560.34513058
  • Final energy per atom: -7.00431413225
  • 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.