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  1. Third-Parties
  2. MatprojStructure
  3. mp-693132

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-693132
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 6
  • Element list: ['Zn', 'Ga', 'P', 'H', 'N', 'O']
  • Chemical System: Ga-H-N-O-P-Zn
  • Density: 2.7669724682083685
  • Atomic Density: 0.0825595383423142
  • Unit Cell Volume: 823.6480165145011
  • Molar Volume: 7.294300429625191
  • Full Formula: Zn4 Ga4 P8 H16 N4 O32
  • Reduced Formula: ZnGaP2H4NO8
  • Formula Anonymous: ABCD2E4F8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -437.9026353
  • Final energy per atom: -6.439744636764706
  • 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.