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  1. Third-Parties
  2. MatprojStructure
  3. mp-29018

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-29018
  • 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: 48
  • Number of elements: 3
  • Element list: ['Zr', 'Sn', 'Cl']
  • Chemical System: Cl-Sn-Zr
  • Density: 2.794003282988978
  • Atomic Density: 0.031848198631264306
  • Unit Cell Volume: 1507.14960540594
  • Molar Volume: 18.90888972944381
  • Full Formula: Zr6 Sn6 Cl36
  • Reduced Formula: ZrSnCl6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -234.07709833
  • Final energy per atom: -4.876606215208334
  • 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.