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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210786

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-1210786
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 7
  • Element list: ['Na', 'Ca', 'Zr', 'Nb', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Na-Nb-O-Si-Zr
  • Density: 3.2959050368639713
  • Atomic Density: 0.07473502119539578
  • Unit Cell Volume: 802.8364619463898
  • Molar Volume: 8.057990301835906
  • Full Formula: Na4 Ca8 Zr2 Nb2 Si8 O32 F4
  • Reduced Formula: Na2Ca4ZrNbSi4(O8F)2
  • Formula Anonymous: ABC2D2E4F4G16
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -469.28302338
  • Final energy per atom: -7.821383722999999
  • 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.