Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1203595

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-1203595
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'N', 'O', 'F']
  • Chemical System: F-H-N-O-Zn
  • Density: 2.40381852878143
  • Atomic Density: 0.11747958225870933
  • Unit Cell Volume: 289.41199267398156
  • Molar Volume: 5.126116933867077
  • Full Formula: Zn2 H16 N4 O4 F8
  • Reduced Formula: ZnH8N2(OF2)2
  • Formula Anonymous: AB2C2D4E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -168.65714956
  • Final energy per atom: -4.960504398823529
  • 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.