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  1. Third-Parties
  2. MatprojStructure
  3. mp-23609

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-23609
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Zn', 'B', 'Cl', 'O']
  • Chemical System: B-Cl-O-Zn
  • Density: 3.7447777028247056
  • Atomic Density: 0.1050235224540401
  • Unit Cell Volume: 457.04046939584924
  • Molar Volume: 5.734087582746409
  • Full Formula: Zn6 B14 Cl2 O26
  • Reduced Formula: Zn3B7ClO13
  • Formula Anonymous: AB3C7D13
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -356.55073901000003
  • Final energy per atom: -7.428140396041667
  • 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.