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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213766

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-1213766
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Cr', 'H', 'C', 'F']
  • Chemical System: C-Cr-F-H
  • Density: 2.061173323744075
  • Atomic Density: 0.11531354151783292
  • Unit Cell Volume: 251.4882434298944
  • Molar Volume: 5.222405522137825
  • Full Formula: Cr1 H12 C8 F8
  • Reduced Formula: CrH12(CF)8
  • Formula Anonymous: AB8C8D12
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -126.4691115
  • Final energy per atom: -4.361003844827586
  • 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.