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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215119

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-1215119
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Ca', 'B', 'W', 'Cl', 'O']
  • Chemical System: B-Ca-Cl-O-W
  • Density: 5.583804791342109
  • Atomic Density: 0.05418245805643854
  • Unit Cell Volume: 1144.281788312712
  • Molar Volume: 11.11455806181238
  • Full Formula: Ca6 B10 W16 Cl4 O26
  • Reduced Formula: Ca3B5W8Cl2O13
  • Formula Anonymous: A2B3C5D8E13
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -497.6458949200001
  • Final energy per atom: -8.026546692258066
  • 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.