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  1. Third-Parties
  2. MatprojStructure
  3. mp-18670

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-18670
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'As']
  • Chemical System: As-Ca-Sn
  • Density: 4.302287278140502
  • Atomic Density: 0.03795804161589864
  • Unit Cell Volume: 684.9668447886932
  • Molar Volume: 15.865256750963779
  • Full Formula: Ca10 Sn4 As12
  • Reduced Formula: Ca5(SnAs3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -114.60056629999998
  • Final energy per atom: -4.407714088461538
  • 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.