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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198370

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-1198370
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'C']
  • Chemical System: C-Ca-Sn
  • Density: 3.036782609760906
  • Atomic Density: 0.045050543591932994
  • Unit Cell Volume: 1953.3615575674826
  • Molar Volume: 13.367520744141164
  • Full Formula: Ca44 Sn12 C32
  • Reduced Formula: Ca11Sn3C8
  • Formula Anonymous: A3B8C11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -462.31344988
  • Final energy per atom: -5.253561930454546
  • 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.