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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29739
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sm', 'Mg', 'F']
  • Chemical System: F-Mg-Sm
  • Density: 4.987088684781778
  • Atomic Density: 0.07188969024583514
  • Unit Cell Volume: 166.92240513159268
  • Molar Volume: 8.376918497501645
  • Full Formula: Sm2 Mg2 F8
  • Reduced Formula: SmMgF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm