Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-779010

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-779010
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 4
  • Element list: ['Li', 'Sn', 'P', 'O']
  • Chemical System: Li-O-P-Sn
  • Density: 2.9945259027534687
  • Atomic Density: 0.07817246059228047
  • Unit Cell Volume: 1253.6384201993187
  • Molar Volume: 7.70366023324931
  • Full Formula: Li18 Sn6 P16 O58
  • Reduced Formula: Li9Sn3P8O29
  • Formula Anonymous: A3B8C9D29
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -681.73588539
  • Final energy per atom: -6.9564886264285715
  • 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.