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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198273

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-1198273
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 196
  • Number of elements: 4
  • Element list: ['Sr', 'P', 'H', 'N']
  • Chemical System: H-N-P-Sr
  • Density: 1.4089588683896193
  • Atomic Density: 0.07136156728306987
  • Unit Cell Volume: 2746.5764481114456
  • Molar Volume: 8.43891325440202
  • Full Formula: Sr4 P44 H112 N36
  • Reduced Formula: SrP11H28N9
  • Formula Anonymous: AB9C11D28
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1000.20342622
  • Final energy per atom: -5.103078705204082
  • 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.