POTCAR inconsistency MP2020Compatibility and MP Docs

Materials Project
1

For Vanadium compounds, in MP, they are calculated using POTCAR V_pv, based on results from entries:
entries = mpr.get_entries_in_chemsys("V")

But on the MP documentation, for V it is listed as “V_sv”.

While for the MaterialsProject2020Compatibility class, entering an entry with POTCAR V_sv leads to the following error:
CompatibilityError: Incompatible POTCAR {'V_sv', 'W_pv', 'Ta_pv'}, expected {'V_pv', 'W_pv', 'Ta_pv'}. It expects a V_pv entry, which MP does have.

Question: should the MP docs be updated to switch V_sv → V_pv to match entries in MP API and to match the compatibility class?

2

Hi @Martin_Siron1, this looks to be an issue in the documentation only. I dug through our tasks, and only turned up 21 tasks that use V_sv rather than V_pv. All of those tasks are listed as deprecated tasks in the materials endpoint.

I’ve updated the docs accordingly, thanks for catching this!

For anyone who is curious, those materials with V_sv tasks are (mapping is material_id to list of task_id):

{
    "mp-33031": [
        "mp-33031"
    ],
    "mp-33090": [
        "mp-33090"
    ],
    "mp-694": [
        "mp-33271"
    ],
    "mp-19350": [
        "mp-33400"
    ],
    "mp-33623": [
        "mp-37504",
        "mp-33623",
        "mp-38136"
    ],
    "mp-33705": [
        "mp-33705"
    ],
    "mp-34645": [
        "mp-34645"
    ],
    "mp-34864": [
        "mp-34864"
    ],
    "mp-35475": [
        "mp-35475"
    ],
    "mp-35796": [
        "mp-35796"
    ],
    "mp-36330": [
        "mp-36330"
    ],
    "mp-36484": [
        "mp-36484"
    ],
    "mp-22608": [
        "mp-36631"
    ],
    "mp-36862": [
        "mp-36862"
    ],
    "mp-37961": [
        "mp-37961"
    ],
    "mp-38131": [
        "mp-38131"
    ],
    "mp-19412": [
        "mp-38294"
    ],
    "mp-39843": [
        "mp-39843"
    ],
    "mp-40674": [
        "mp-40674"
    ]
}
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