Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1105240

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-1105240
  • 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: 20
  • Number of elements: 5
  • Element list: ['K', 'Nd', 'Mn', 'W', 'O']
  • Chemical System: K-Mn-Nd-O-W
  • Density: 6.381277310621236
  • Atomic Density: 0.07417073259792202
  • Unit Cell Volume: 269.6481388207338
  • Molar Volume: 8.119295238252397
  • Full Formula: K2 Nd2 Mn2 W2 O12
  • Reduced Formula: KNdMnWO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -168.4389867
  • Final energy per atom: -8.421949334999999
  • 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.