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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197223

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-1197223
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 7
  • Element list: ['Na', 'Zn', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-Na-O-P-Zn
  • Density: 2.3050026179839556
  • Atomic Density: 0.10317664466396682
  • Unit Cell Volume: 436.14521626051385
  • Molar Volume: 5.836728631381012
  • Full Formula: Na4 Zn1 P4 H16 C2 N2 O16
  • Reduced Formula: Na4ZnP4H16C2(NO8)2
  • Formula Anonymous: AB2C2D4E4F16G16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -267.63307427
  • Final energy per atom: -5.947401650444444
  • 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.