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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104501

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-1104501
  • 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: 14
  • Number of elements: 4
  • Element list: ['K', 'Yb', 'V', 'O']
  • Chemical System: K-O-V-Yb
  • Density: 3.546815254635563
  • Atomic Density: 0.057482575907290195
  • Unit Cell Volume: 243.55206389114616
  • Molar Volume: 10.476462936721397
  • Full Formula: K3 Yb1 V2 O8
  • Reduced Formula: K3YbV2O8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -97.70610514
  • Final energy per atom: -6.979007510000001
  • 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.