Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1192359

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-1192359
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cs', 'Mn', 'Te', 'S']
  • Chemical System: Cs-Mn-S-Te
  • Density: 3.6642276694217393
  • Atomic Density: 0.031591713954417185
  • Unit Cell Volume: 696.3851354106079
  • Molar Volume: 19.062405948247005
  • Full Formula: Cs4 Mn2 Te4 S12
  • Reduced Formula: Cs2Mn(TeS3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -100.97672192
  • Final energy per atom: -4.589850996363636
  • 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.