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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229301

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-1229301
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Ca', 'Er', 'Sn', 'Pt']
  • Chemical System: Ca-Er-Pt-Sn
  • Density: 9.981496970199554
  • Atomic Density: 0.044733163553928354
  • Unit Cell Volume: 2682.573519651326
  • Molar Volume: 13.462362778657427
  • Full Formula: Ca16 Er8 Sn60 Pt36
  • Reduced Formula: Ca4Er2(Sn5Pt3)3
  • Formula Anonymous: A2B4C9D15
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -617.90021309
  • Final energy per atom: -5.149168442416666
  • 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.