Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1192737

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-1192737
  • 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: 28
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Sn', 'Se']
  • Chemical System: Li-Mn-Se-Sn
  • Density: 3.9478522537922007
  • Atomic Density: 0.03813328077284612
  • Unit Cell Volume: 734.2667463308899
  • Molar Volume: 15.792348934970832
  • Full Formula: Li8 Mn2 Sn4 Se14
  • Reduced Formula: Li4MnSn2Se7
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -127.13233005
  • Final energy per atom: -4.540440358928572
  • 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.