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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227916

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-1227916
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'As', 'Pt']
  • Chemical System: As-Ca-Fe-Pt
  • Density: 6.932978921465291
  • Atomic Density: 0.05208639767768628
  • Unit Cell Volume: 806.3525579153792
  • Molar Volume: 11.561830014172536
  • Full Formula: Ca10 Fe8 As18 Pt6
  • Reduced Formula: Ca5Fe4(As3Pt)3
  • Formula Anonymous: A3B4C5D9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -237.56113213
  • Final energy per atom: -5.656217431666667
  • 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.