Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-34132
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Te', 'Mo', 'S']
  • Chemical System: Mo-S-Te
  • Density: 6.075783020042373
  • Atomic Density: 0.042944254517584775
  • Unit Cell Volume: 558.8640499085274
  • Molar Volume: 14.023158226053404
  • Full Formula: Te8 Mo8 S8
  • Reduced Formula: TeMoS
  • Formula Anonymous: ABC
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2