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  1. Third-Parties
  2. MatprojStructure
  3. mp-20446

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-20446
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Sn', 'Pt', 'C']
  • Chemical System: C-Pt-Sn
  • Density: 14.974052617303999
  • Atomic Density: 0.0629743652517854
  • Unit Cell Volume: 79.39738622229692
  • Molar Volume: 9.562844716135135
  • Full Formula: Sn1 Pt3 C1
  • Reduced Formula: SnPt3C
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -29.73618088
  • Final energy per atom: -5.947236176
  • 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.