Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1195304

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-1195304
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Cs', 'Sn', 'Sb', 'S']
  • Chemical System: Cs-S-Sb-Sn
  • Density: 3.7546306397809994
  • Atomic Density: 0.032407217617598134
  • Unit Cell Volume: 1049.1490013489135
  • Molar Volume: 18.582714600989963
  • Full Formula: Cs4 Sn6 Sb4 S20
  • Reduced Formula: Cs2Sn3(SbS5)2
  • Formula Anonymous: A2B2C3D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -156.13217276
  • Final energy per atom: -4.592122728235294
  • 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.