Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1338274

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-1338274
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 95
  • Number of elements: 4
  • Element list: ['Li', 'Sn', 'P', 'O']
  • Chemical System: Li-O-P-Sn
  • Density: 3.2034230513856294
  • Atomic Density: 0.0716703116653576
  • Unit Cell Volume: 1325.5139791155532
  • Molar Volume: 8.402559749033221
  • Full Formula: Li14 Sn9 P16 O56
  • Reduced Formula: Li14Sn9(P2O7)8
  • Formula Anonymous: A9B14C16D56
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -398.19056366
  • Final energy per atom: -4.191479617473684
  • 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.