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  1. Third-Parties
  2. MatprojStructure
  3. mp-677002

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-677002
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 5
  • Element list: ['Sr', 'Zr', 'B', 'I', 'Cl']
  • Chemical System: B-Cl-I-Sr-Zr
  • Density: 3.525573531356138
  • Atomic Density: 0.03440085756735894
  • Unit Cell Volume: 2499.937678344409
  • Molar Volume: 17.505786732811202
  • Full Formula: Sr2 Zr24 B4 I10 Cl46
  • Reduced Formula: SrZr12B2I5Cl23
  • Formula Anonymous: AB2C5D12E23
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -511.12983101
  • Final energy per atom: -5.943370128023256
  • 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.