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  1. Third-Parties
  2. MatprojStructure
  3. mp-735808

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-735808
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Zr', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Na-O-Si-Zr
  • Density: 2.7662732667070578
  • Atomic Density: 0.06779312946968889
  • Unit Cell Volume: 1770.0908770357535
  • Molar Volume: 8.883113682917633
  • Full Formula: Na2 Ca29 Zr1 Si16 O56 F16
  • Reduced Formula: Na2Ca29ZrSi16(O7F2)8
  • Formula Anonymous: AB2C16D16E29F56
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -830.71986545
  • Final energy per atom: -6.922665545416667
  • 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.