Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1194921

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-1194921
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['K', 'V', 'H', 'Pt', 'O']
  • Chemical System: H-K-O-Pt-V
  • Density: 2.805107613448955
  • Atomic Density: 0.08323913189879531
  • Unit Cell Volume: 1729.9555715583342
  • Molar Volume: 7.23474719477121
  • Full Formula: K10 V18 H40 Pt2 O74
  • Reduced Formula: K5V9H20PtO37
  • Formula Anonymous: AB5C9D20E37
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -953.73519866
  • Final energy per atom: -6.623161101805556
  • 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.