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{
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{
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{
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{
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{
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"structure_string": "Ni4 P12 O36\n1.0\n9.446466 0.000000 0.000000\n-3.019805 8.960280 0.000000\n-2.527491 -4.336388 8.402796\nNi P O\n4 12 36\ndirect\n0.744655 0.225153 0.276958 Ni\n0.907573 0.708828 0.788261 Ni\n0.255345 0.774847 0.723042 Ni\n0.092427 0.291172 0.211739 Ni\n0.300899 0.434061 0.592349 P\n0.049688 0.782930 0.162856 P\n0.570964 0.339676 0.709718 P\n0.997576 0.394752 0.644731 P\n0.511681 0.153912 0.902323 P\n0.812787 0.906850 0.076179 P\n0.187213 0.093150 0.923821 P\n0.002424 0.605248 0.355269 P\n0.699101 0.565939 0.407651 P\n0.488319 0.846088 0.097677 P\n0.429036 0.660324 0.290282 P\n0.950312 0.217070 0.837144 P\n0.360161 0.811011 0.948093 O\n0.784646 0.074799 0.718631 O\n0.270267 0.515952 0.245041 O\n0.589933 0.303982 0.860685 O\n0.004686 0.625951 0.199101 O\n0.848436 0.258959 0.500933 O\n0.995314 0.374049 0.800899 O\n0.572974 0.604341 0.297084 O\n0.364536 0.620599 0.655272 O\n0.819282 0.854978 0.916821 O\n0.746910 0.671915 0.580714 O\n0.427026 0.395659 0.702916 O\n0.215354 0.925201 0.281369 O\n0.151564 0.741041 0.499067 O\n0.635464 0.379401 0.344728 O\n0.960566 0.280252 0.004882 O\n0.561764 0.014086 0.239930 O\n0.880250 0.092850 0.186342 O\n0.639839 0.188989 0.051907 O\n0.964490 0.423619 0.314607 O\n0.438236 0.985914 0.760070 O\n0.035510 0.576381 0.685393 O\n0.153011 0.362570 0.640081 O\n0.180718 0.145022 0.083179 O\n0.902750 0.829295 0.174696 O\n0.729733 0.484048 0.754959 O\n0.480323 0.813216 0.443205 O\n0.368132 0.193739 0.941195 O\n0.410067 0.696018 0.139315 O\n0.846989 0.637430 0.359919 O\n0.631868 0.806261 0.058805 O\n0.253090 0.328085 0.419286 O\n0.097250 0.170705 0.825304 O\n0.119750 0.907150 0.813658 O\n0.519677 0.186784 0.556795 O\n0.039434 0.719748 0.995118 O\n",
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{
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"elements": [
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],
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"formula_full": "Li1 Mg10 Al1 H24",
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"updated_at": "2021-11-28T01:34:23.696000Z",
"spacegroup": 3
},
{
"id": "mp-1222067",
"created_at": "2022-09-04T14:39:29.819948Z",
"structure_string": "Mn4 Cr1 Co10 Ge5\n1.0\n16.475413 -2.033109 0.000000\n16.475413 2.033109 0.000000\n16.224522 0.000000 3.512499\nMn Cr Co Ge\n4 1 10 5\ndirect\n0.599823 0.599823 0.599823 Mn\n0.199948 0.199948 0.199948 Mn\n0.800052 0.800052 0.800052 Mn\n0.400177 0.400177 0.400177 Mn\n0.000000 0.000000 0.000000 Cr\n0.050095 0.050095 0.050095 Co\n0.850053 0.850053 0.850053 Co\n0.450064 0.450064 0.450064 Co\n0.650297 0.650297 0.650297 Co\n0.250020 0.250020 0.250020 Co\n0.349703 0.349703 0.349703 Co\n0.149947 0.149947 0.149947 Co\n0.749980 0.749980 0.749980 Co\n0.949905 0.949905 0.949905 Co\n0.549936 0.549936 0.549936 Co\n0.699753 0.699753 0.699753 Ge\n0.500000 0.500000 0.500000 Ge\n0.100083 0.100083 0.100083 Ge\n0.300247 0.300247 0.300247 Ge\n0.899917 0.899917 0.899917 Ge\n",
"nsites": 20,
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"elements": [
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"Co",
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],
"chemical_system": "Co-Cr-Ge-Mn",
"density": 8.639463137973326,
"density_atomic": 0.08499371606398717,
"volume": 235.31151391172355,
"volume_molar": 7.085395296125487,
"formula_full": "Mn4 Cr1 Co10 Ge5",
"formula_reduced": "Mn4Cr(Co2Ge)5",
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:23.699000Z",
"spacegroup": 166
},
{
"id": "mp-1247194",
"created_at": "2022-09-04T14:39:10.648960Z",
"structure_string": "Sr2 Ge14 N20\n1.0\n7.264563 0.000000 0.024803\n0.000000 7.166738 0.000000\n-2.765556 0.000000 9.861136\nSr Ge N\n2 14 20\ndirect\n0.914554 0.024023 0.634939 Sr\n0.914554 0.975977 0.134939 Sr\n0.545116 0.970763 0.826799 Ge\n0.545116 0.029237 0.326799 Ge\n0.349497 0.028064 0.017569 Ge\n0.349497 0.971936 0.517569 Ge\n0.111978 0.393162 0.075206 Ge\n0.111978 0.606838 0.575206 Ge\n0.665543 0.365412 0.993269 Ge\n0.665543 0.634588 0.493269 Ge\n0.851466 0.627487 0.812803 Ge\n0.851466 0.372513 0.312803 Ge\n0.297222 0.621866 0.884401 Ge\n0.297222 0.378134 0.384401 Ge\n0.486242 0.369985 0.689104 Ge\n0.486242 0.630015 0.189104 Ge\n0.772653 0.860107 0.842285 N\n0.772653 0.139893 0.342285 N\n0.572972 0.126698 0.979818 N\n0.572972 0.873302 0.479818 N\n0.317532 0.874800 0.862403 N\n0.317532 0.125200 0.362403 N\n0.141862 0.154463 0.026771 N\n0.141862 0.845537 0.526771 N\n0.284093 0.498403 0.725358 N\n0.284093 0.501597 0.225358 N\n0.458965 0.115949 0.672215 N\n0.458965 0.884051 0.172215 N\n0.886792 0.372394 0.133765 N\n0.886792 0.627606 0.633765 N\n0.080348 0.583501 0.943649 N\n0.080348 0.416499 0.443649 N\n0.707792 0.414732 0.824934 N\n0.707792 0.585268 0.324934 N\n0.497676 0.538591 0.024012 N\n0.497676 0.461409 0.524012 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Ge",
"N"
],
"chemical_system": "Ge-N-Sr",
"density": 4.757533104416169,
"density_atomic": 0.0700533455901975,
"volume": 513.894085952655,
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"formula_full": "Sr2 Ge14 N20",
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"updated_at": "2021-11-28T01:34:23.701000Z",
"spacegroup": 7
}
]
}