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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199569

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-1199569
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Zn', 'P', 'C', 'N', 'O']
  • Chemical System: C-N-O-P-Zn
  • Density: 2.2092110059605488
  • Atomic Density: 0.0594742115646187
  • Unit Cell Volume: 706.1884284815953
  • Molar Volume: 10.125633617617526
  • Full Formula: Zn4 P6 C2 N6 O24
  • Reduced Formula: Zn2P3C(NO4)3
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -270.67728545
  • Final energy per atom: -6.444697272619048
  • 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.