Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1211413

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-1211413
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['K', 'Mo', 'P', 'O']
  • Chemical System: K-Mo-O-P
  • Density: 3.2549354024977593
  • Atomic Density: 0.07111075975389278
  • Unit Cell Volume: 295.3139591347202
  • Molar Volume: 8.468677287153206
  • Full Formula: K1 Mo2 P4 O14
  • Reduced Formula: KMo2(P2O7)2
  • Formula Anonymous: AB2C4D14
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -167.42681471
  • Final energy per atom: -7.972705462380953
  • 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.