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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198219

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-1198219
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 5
  • Element list: ['Zn', 'P', 'H', 'N', 'O']
  • Chemical System: H-N-O-P-Zn
  • Density: 2.256087701773081
  • Atomic Density: 0.07340002114492036
  • Unit Cell Volume: 667.5747395665571
  • Molar Volume: 8.20454908059214
  • Full Formula: Zn5 P6 H14 N2 O22
  • Reduced Formula: Zn5P6H14(NO11)2
  • Formula Anonymous: A2B5C6D14E22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -278.68452066000003
  • Final energy per atom: -5.687439197142858
  • 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.