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  1. Third-Parties
  2. MatprojStructure
  3. mp-667273

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-667273
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 1
  • Element list: ['C']
  • Chemical System: C
  • Density: 1.735640492677213
  • Atomic Density: 0.08702466433488479
  • Unit Cell Volume: 689.4597118939802
  • Molar Volume: 6.920039055624326
  • Full Formula: C60
  • Reduced Formula: C
  • Formula Anonymous: A
  • Spacegroup Number: 202
  • Spacegroup Symbol: Fm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -530.27934925
  • Final energy per atom: -8.837989154166667
  • 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.