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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213542

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-1213542
  • 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: 172
  • Number of elements: 3
  • Element list: ['Na', 'Zn', 'Sn']
  • Chemical System: Na-Sn-Zn
  • Density: 4.526630132273385
  • Atomic Density: 0.03924672736292487
  • Unit Cell Volume: 4382.53101741377
  • Molar Volume: 15.34431318135566
  • Full Formula: Na64 Zn44 Sn64
  • Reduced Formula: Na16Zn11Sn16
  • Formula Anonymous: A11B16C16
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -423.5226022599999
  • Final energy per atom: -2.4623407108139532
  • 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.