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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205167

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-1205167
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 7
  • Element list: ['Na', 'Li', 'Y', 'P', 'C', 'O', 'F']
  • Chemical System: C-F-Li-Na-O-P-Y
  • Density: 3.3865062829631607
  • Atomic Density: 0.07870365104015527
  • Unit Cell Volume: 1423.0597757511484
  • Molar Volume: 7.651666320953081
  • Full Formula: Na12 Li4 Y12 P12 C4 O60 F8
  • Reduced Formula: Na3LiY3P3CO15F2
  • Formula Anonymous: ABC2D3E3F3G15
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -866.16600858
  • Final energy per atom: -7.733625076607143
  • 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.