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  1. Third-Parties
  2. MatprojStructure
  3. mp-30477

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-30477
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'Sn']
  • Chemical System: Ca-Li-Sn
  • Density: 3.639045379344383
  • Atomic Density: 0.039669901189314065
  • Unit Cell Volume: 226.8722565516332
  • Molar Volume: 15.180629594364083
  • Full Formula: Li3 Ca3 Sn3
  • Reduced Formula: LiCaSn
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -28.82275542
  • Final energy per atom: -3.20252838
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.