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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212603

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-1212603
  • 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: 102
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'P', 'O']
  • Chemical System: Na-O-P-Zn
  • Density: 2.7784260598434174
  • Atomic Density: 0.06858424375309652
  • Unit Cell Volume: 1487.2220559462653
  • Molar Volume: 8.780647610083339
  • Full Formula: Na12 Zn12 P12 O66
  • Reduced Formula: Na2Zn2P2O11
  • Formula Anonymous: A2B2C2D11
  • Spacegroup Number: 169
  • Spacegroup Symbol: P6_1
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -577.80729932
  • Final energy per atom: -5.664777444313725
  • 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.