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{
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{
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{
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"structure_string": "Zn1 Cu15 H24 Cl8 O24\n1.0\n18.588791 -3.482142 0.000000\n18.588791 3.482142 0.000000\n17.936500 0.000000 5.995870\nZn Cu H Cl O\n1 15 24 8 24\ndirect\n0.500000 0.500000 0.500000 Zn\n0.124678 0.625390 0.124678 Cu\n0.375328 0.874126 0.375328 Cu\n0.875322 0.374610 0.875322 Cu\n0.624672 0.125874 0.624672 Cu\n0.375328 0.375328 0.874126 Cu\n0.624672 0.624672 0.125874 Cu\n0.124678 0.124678 0.625390 Cu\n0.875322 0.875322 0.374610 Cu\n0.625390 0.124678 0.124678 Cu\n0.874126 0.375328 0.375328 Cu\n0.374610 0.875322 0.875322 Cu\n0.125874 0.624672 0.624672 Cu\n0.250081 0.250081 0.250081 Cu\n0.000000 0.000000 0.000000 Cu\n0.749919 0.749919 0.749919 Cu\n0.468340 0.870450 0.468340 H\n0.720289 0.117323 0.720289 H\n0.218512 0.620488 0.218512 H\n0.967865 0.371875 0.967865 H\n0.468340 0.468340 0.870450 H\n0.720289 0.720289 0.117323 H\n0.218512 0.218512 0.620488 H\n0.967865 0.967865 0.371875 H\n0.870450 0.468340 0.468340 H\n0.117323 0.720289 0.720289 H\n0.620488 0.218512 0.218512 H\n0.371875 0.967865 0.967865 H\n0.032135 0.628125 0.032135 H\n0.279711 0.882677 0.279711 H\n0.781488 0.379512 0.781488 H\n0.531660 0.129550 0.531660 H\n0.032135 0.032135 0.628125 H\n0.279711 0.279711 0.882677 H\n0.781488 0.781488 0.379512 H\n0.531660 0.531660 0.129550 H\n0.628125 0.032135 0.032135 H\n0.882677 0.279711 0.279711 H\n0.379512 0.781488 0.781488 H\n0.129550 0.531660 0.531660 H\n0.329965 0.329965 0.329965 Cl\n0.580053 0.580053 0.580053 Cl\n0.080009 0.080009 0.080009 Cl\n0.829861 0.829861 0.829861 Cl\n0.170139 0.170139 0.170139 Cl\n0.419947 0.419947 0.419947 Cl\n0.919991 0.919991 0.919991 Cl\n0.670035 0.670035 0.670035 Cl\n0.401013 0.028178 0.401013 O\n0.653514 0.274122 0.653514 O\n0.150960 0.778419 0.150960 O\n0.900163 0.529850 0.900163 O\n0.401013 0.401013 0.028178 O\n0.653514 0.653514 0.274122 O\n0.150960 0.150960 0.778419 O\n0.900163 0.900163 0.529850 O\n0.028178 0.401013 0.401013 O\n0.274122 0.653514 0.653514 O\n0.778419 0.150960 0.150960 O\n0.529850 0.900163 0.900163 O\n0.099837 0.470150 0.099837 O\n0.346486 0.725878 0.346486 O\n0.849040 0.221581 0.849040 O\n0.598987 0.971822 0.598987 O\n0.099837 0.099837 0.470150 O\n0.346486 0.346486 0.725878 O\n0.849040 0.849040 0.221581 O\n0.598987 0.598987 0.971822 O\n0.470150 0.099837 0.099837 O\n0.725878 0.346486 0.346486 O\n0.221581 0.849040 0.849040 O\n0.971822 0.598987 0.598987 O\n",
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{
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{
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"structure_string": "Pr8 Co8 Sb24\n1.0\n6.212405 0.000000 0.000000\n0.000000 12.170227 0.000000\n0.000000 0.000000 12.855429\nPr Co Sb\n8 8 24\ndirect\n0.224202 0.250000 0.302813 Pr\n0.250000 0.500000 0.700659 Pr\n0.750000 0.000000 0.299341 Pr\n0.775798 0.750000 0.697187 Pr\n0.724202 0.250000 0.697187 Pr\n0.250000 0.000000 0.700659 Pr\n0.275798 0.750000 0.302813 Pr\n0.750000 0.500000 0.299341 Pr\n0.037935 0.636032 0.097157 Co\n0.537935 0.636032 0.902843 Co\n0.537935 0.863968 0.902843 Co\n0.037935 0.863968 0.097157 Co\n0.462065 0.363968 0.097157 Co\n0.462065 0.136032 0.097157 Co\n0.962065 0.136032 0.902843 Co\n0.962065 0.363968 0.902843 Co\n0.884540 0.750000 0.945024 Sb\n0.750000 0.500000 0.782719 Sb\n0.615460 0.250000 0.945024 Sb\n0.250000 0.000000 0.972414 Sb\n0.250000 0.000000 0.217281 Sb\n0.486678 0.124230 0.497536 Sb\n0.513322 0.624230 0.502464 Sb\n0.231510 0.250000 0.788227 Sb\n0.750000 0.500000 0.027586 Sb\n0.013322 0.624230 0.497536 Sb\n0.013322 0.875770 0.497536 Sb\n0.115460 0.250000 0.054976 Sb\n0.768490 0.750000 0.211773 Sb\n0.513322 0.875770 0.502464 Sb\n0.750000 0.000000 0.782719 Sb\n0.250000 0.500000 0.972414 Sb\n0.486678 0.375770 0.497536 Sb\n0.986678 0.375770 0.502464 Sb\n0.268490 0.750000 0.788227 Sb\n0.731510 0.250000 0.211773 Sb\n0.250000 0.500000 0.217281 Sb\n0.750000 0.000000 0.027586 Sb\n0.986678 0.124230 0.502464 Sb\n0.384540 0.750000 0.054976 Sb\n",
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{
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{
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"structure_string": "Pu1 Ru3 C1\n1.0\n4.167104 0.000000 0.000000\n0.000000 4.167104 0.000000\n0.000000 0.000000 4.167104\nPu Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 C\n",
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},
{
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"structure_string": "Fe12 Mo12 N4\n1.0\n0.000000 5.517761 5.517761\n5.517761 0.000000 5.517761\n5.517761 5.517761 0.000000\nFe Mo N\n12 12 4\ndirect\n0.125000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.625000 0.625000 0.625000 Fe\n0.731144 0.422952 0.422952 Fe\n0.422952 0.731144 0.422952 Fe\n0.422952 0.422952 0.731144 Fe\n0.422952 0.422952 0.422952 Fe\n0.518856 0.827048 0.827048 Fe\n0.827048 0.518856 0.827048 Fe\n0.827048 0.827048 0.518856 Fe\n0.827048 0.827048 0.827048 Fe\n0.797779 0.797779 0.202221 Mo\n0.202221 0.202221 0.797779 Mo\n0.797779 0.202221 0.797779 Mo\n0.202221 0.797779 0.202221 Mo\n0.202221 0.797779 0.797779 Mo\n0.797779 0.202221 0.202221 Mo\n0.452221 0.452221 0.047779 Mo\n0.047779 0.047779 0.452221 Mo\n0.452221 0.047779 0.452221 Mo\n0.047779 0.452221 0.047779 Mo\n0.047779 0.452221 0.452221 Mo\n0.452221 0.047779 0.047779 Mo\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
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},
{
"id": "mp-720804",
"created_at": "2022-09-04T14:40:43.085359Z",
"structure_string": "K6 Na6 Te2 P12 H12 O48\n1.0\n11.466415 -5.500504 0.000000\n11.466415 5.500504 0.000000\n8.827793 0.000000 9.154469\nK Na Te P H O\n6 6 2 12 12 48\ndirect\n0.250000 0.875890 0.624110 K\n0.624110 0.250000 0.875890 K\n0.875890 0.624110 0.250000 K\n0.124110 0.375890 0.750000 K\n0.750000 0.124110 0.375890 K\n0.375890 0.750000 0.124110 K\n0.053332 0.250000 0.446668 Na\n0.446668 0.053332 0.250000 Na\n0.250000 0.446668 0.053332 Na\n0.946668 0.750000 0.553332 Na\n0.553332 0.946668 0.750000 Na\n0.750000 0.553332 0.946668 Na\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.339515 0.187629 0.493209 P\n0.493209 0.339515 0.187629 P\n0.187629 0.493209 0.339515 P\n0.993209 0.687629 0.839515 P\n0.839515 0.993209 0.687629 P\n0.687629 0.839515 0.993209 P\n0.660485 0.812371 0.506791 P\n0.506791 0.660485 0.812371 P\n0.812371 0.506791 0.660485 P\n0.006791 0.312371 0.160485 P\n0.160485 0.006791 0.312371 P\n0.312371 0.160485 0.006791 P\n0.302761 0.709328 0.405142 H\n0.405142 0.302761 0.709328 H\n0.709328 0.405142 0.302761 H\n0.905142 0.209328 0.802761 H\n0.802761 0.905142 0.209328 H\n0.209328 0.802761 0.905142 H\n0.697239 0.290672 0.594858 H\n0.594858 0.697239 0.290672 H\n0.290672 0.594858 0.697239 H\n0.094858 0.790672 0.197239 H\n0.197239 0.094858 0.790672 H\n0.790672 0.197239 0.094858 H\n0.372008 0.394588 0.630288 O\n0.630288 0.372008 0.394588 O\n0.394588 0.630288 0.372008 O\n0.130288 0.894588 0.872008 O\n0.872008 0.130288 0.894588 O\n0.894588 0.872008 0.130288 O\n0.627992 0.605412 0.369712 O\n0.369712 0.627992 0.605412 O\n0.605412 0.369712 0.627992 O\n0.869712 0.105412 0.127992 O\n0.127992 0.869712 0.105412 O\n0.105412 0.127992 0.869712 O\n0.363304 0.108217 0.630844 O\n0.630844 0.363304 0.108217 O\n0.108217 0.630844 0.363304 O\n0.130844 0.608217 0.863304 O\n0.863304 0.130844 0.608217 O\n0.608217 0.863304 0.130844 O\n0.636696 0.891783 0.369156 O\n0.369156 0.636696 0.891783 O\n0.891783 0.369156 0.636696 O\n0.869156 0.391783 0.136696 O\n0.136696 0.869156 0.391783 O\n0.391783 0.136696 0.869156 O\n0.292304 0.127176 0.465403 O\n0.465403 0.292304 0.127176 O\n0.127176 0.465403 0.292304 O\n0.965403 0.627176 0.792304 O\n0.792304 0.965403 0.627176 O\n0.627176 0.792304 0.965403 O\n0.707696 0.872824 0.534597 O\n0.534597 0.707696 0.872824 O\n0.872824 0.534597 0.707696 O\n0.034597 0.372824 0.207696 O\n0.207696 0.034597 0.372824 O\n0.372824 0.207696 0.034597 O\n0.220624 0.354580 0.485106 O\n0.485106 0.220624 0.354580 O\n0.354580 0.485106 0.220624 O\n0.985106 0.854580 0.720624 O\n0.720624 0.985106 0.854580 O\n0.854580 0.720624 0.985106 O\n0.779376 0.645420 0.514894 O\n0.514894 0.779376 0.645420 O\n0.645420 0.514894 0.779376 O\n0.014894 0.145420 0.279376 O\n0.279376 0.014894 0.145420 O\n0.145420 0.279376 0.014894 O\n",
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],
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"density": 2.558874129345884,
"density_atomic": 0.07447408161903431,
"volume": 1154.764155937169,
"volume_molar": 8.086223594949095,
"formula_full": "K6 Na6 Te2 P12 H12 O48",
"formula_reduced": "K3Na3TeP6(HO4)6",
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}
]
}