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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097033

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-1097033
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['K', 'V', 'P', 'O', 'F']
  • Chemical System: F-K-O-P-V
  • Density: 3.057911122168717
  • Atomic Density: 0.07111388585993794
  • Unit Cell Volume: 506.2302469436651
  • Molar Volume: 8.468305011289754
  • Full Formula: K6 V4 P4 O16 F6
  • Reduced Formula: K3V2P2O8F3
  • Formula Anonymous: A2B2C3D3E8
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -257.51198773
  • Final energy per atom: -7.153110770277777
  • 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.