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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207704

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-1207704
  • 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: 18
  • Number of elements: 3
  • Element list: ['Y', 'Sb', 'F']
  • Chemical System: F-Sb-Y
  • Density: 6.215005034806215
  • Atomic Density: 0.040642568285808055
  • Unit Cell Volume: 442.88539723719686
  • Molar Volume: 14.81732334839397
  • Full Formula: Y10 Sb6 F2
  • Reduced Formula: Y5Sb3F
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -118.74007231
  • Final energy per atom: -6.596670683888889
  • 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.