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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201966

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-1201966
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 6
  • Element list: ['Zn', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-P-Zn
  • Density: 1.8937238777173897
  • Atomic Density: 0.08436084974508268
  • Unit Cell Volume: 1066.8455838455566
  • Molar Volume: 7.138549194558138
  • Full Formula: Zn6 P8 H40 C8 N4 O24
  • Reduced Formula: Zn3P4H20C4(NO6)2
  • Formula Anonymous: A2B3C4D4E12F20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -516.16500621
  • Final energy per atom: -5.735166735666667
  • 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.