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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199010

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-1199010
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 6
  • Element list: ['Zn', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-P-Zn
  • Density: 1.7885745026331341
  • Atomic Density: 0.06386826023130494
  • Unit Cell Volume: 594.974716116885
  • Molar Volume: 9.429003918676111
  • Full Formula: Zn2 P4 H6 C8 N2 O16
  • Reduced Formula: ZnP2H3C4NO8
  • Formula Anonymous: ABC2D3E4F8
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -245.21909151000003
  • Final energy per atom: -6.4531339871052635
  • 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.