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  1. Third-Parties
  2. MatprojStructure
  3. mp-571034

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-571034
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'Sn']
  • Chemical System: Ca-Cu-Sn
  • Density: 7.706978776870202
  • Atomic Density: 0.05978616332842412
  • Unit Cell Volume: 468.3357894398948
  • Molar Volume: 10.072800167688458
  • Full Formula: Ca2 Cu18 Sn8
  • Reduced Formula: CaCu9Sn4
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -113.0344289
  • Final energy per atom: -4.036943889285714
  • 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.