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  1. Third-Parties
  2. MatprojStructure
  3. mp-1095649

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-1095649
  • 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: 12
  • Number of elements: 4
  • Element list: ['Sr', 'H', 'N', 'O']
  • Chemical System: H-N-O-Sr
  • Density: 3.424065450255136
  • Atomic Density: 0.08583796206660872
  • Unit Cell Volume: 139.79828634198253
  • Molar Volume: 7.015707986318369
  • Full Formula: Sr2 H3 N1 O6
  • Reduced Formula: Sr2H3NO6
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -74.56829438
  • Final energy per atom: -6.2140245316666665
  • 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.