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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202345

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-1202345
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 7
  • Element list: ['Na', 'Li', 'Y', 'Zr', 'P', 'C', 'O']
  • Chemical System: C-Li-Na-O-P-Y-Zr
  • Density: 3.511905074125139
  • Atomic Density: 0.08190252023892666
  • Unit Cell Volume: 1367.4792872462622
  • Molar Volume: 7.352814959090592
  • Full Formula: Na12 Li4 Y6 Zr6 P12 C4 O68
  • Reduced Formula: Na6Li2Y3Zr3P6(CO17)2
  • Formula Anonymous: A2B2C3D3E6F6G34
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -885.59922823
  • Final energy per atom: -7.907135966339285
  • 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.