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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181111

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-1181111
  • 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: 22
  • Number of elements: 5
  • Element list: ['K', 'Yb', 'B', 'P', 'O']
  • Chemical System: B-K-O-P-Yb
  • Density: 2.751163270940506
  • Atomic Density: 0.06096271255611622
  • Unit Cell Volume: 360.8763304249132
  • Molar Volume: 9.878400267141354
  • Full Formula: K3 Yb1 B2 P2 O14
  • Reduced Formula: K3YbB2(PO7)2
  • Formula Anonymous: AB2C2D3E14
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -145.73371602
  • Final energy per atom: -6.624259819090909
  • 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.