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-120067
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'In', 'Te']
  • Chemical System: Ca-In-Te
  • Density: 4.345502967784824
  • Atomic Density: 0.027790726828742514
  • Unit Cell Volume: 107.94967754845673
  • Molar Volume: 21.66960510644727
  • Full Formula: Ca1 In1 Te1
  • Reduced Formula: CaInTe
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m