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  1. Third-Parties
  2. MatprojStructure
  3. mp-728124

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-728124
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 6
  • Element list: ['Zn', 'Cr', 'H', 'N', 'Cl', 'F']
  • Chemical System: Cl-Cr-F-H-N-Zn
  • Density: 1.8692283741943978
  • Atomic Density: 0.08364312105053726
  • Unit Cell Volume: 645.6000125506214
  • Molar Volume: 7.199803981921497
  • Full Formula: Zn2 Cr2 H30 N10 Cl8 F2
  • Reduced Formula: ZnCrH15N5Cl4F
  • Formula Anonymous: ABCD4E5F15
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -274.51043149000003
  • Final energy per atom: -5.083526509074074
  • 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.