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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10615
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Mo', 'O']
  • Chemical System: Ca-Mo-O
  • Density: 5.4548209067240006
  • Atomic Density: 0.07738680661458101
  • Unit Cell Volume: 167.9872909699646
  • Molar Volume: 7.781870093170798
  • Full Formula: Ca1 Mo4 O8
  • Reduced Formula: Ca(MoO2)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m