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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221079

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-1221079
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Y', 'Cd', 'F']
  • Chemical System: Ca-Cd-F-Na-Y
  • Density: 4.172631121075564
  • Atomic Density: 0.07242037789543462
  • Unit Cell Volume: 165.6992182135034
  • Molar Volume: 8.315533465863943
  • Full Formula: Na1 Ca1 Y1 Cd1 F8
  • Reduced Formula: NaCaYCdF8
  • Formula Anonymous: ABCDE8
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -69.92069783
  • Final energy per atom: -5.8267248191666665
  • 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.