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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97601
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Th', 'Fe', 'P']
  • Chemical System: Fe-P-Th
  • Density: 9.083090102816767
  • Atomic Density: 0.07400908408256227
  • Unit Cell Volume: 567.4979027324009
  • Molar Volume: 8.137029169665016
  • Full Formula: Th6 Fe24 P12
  • Reduced Formula: Th(Fe2P)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm