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{
"id": "mp-1194377",
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{
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"structure_string": "Li12 Fe4 P8 O32\n1.0\n8.742331 0.000000 0.000000\n3.471284 8.032631 0.000000\n0.425666 0.196181 9.190980\nLi Fe P O\n12 4 8 32\ndirect\n0.648179 0.866064 0.784115 Li\n0.877867 0.635409 0.291371 Li\n0.956036 0.154906 0.451441 Li\n0.931209 0.104642 0.768973 Li\n0.418075 0.579191 0.760319 Li\n0.564269 0.436659 0.246834 Li\n0.104216 0.895059 0.234884 Li\n0.040050 0.842309 0.537627 Li\n0.863366 0.044895 0.034407 Li\n0.121431 0.397119 0.667235 Li\n0.368186 0.139737 0.235051 Li\n0.290263 0.110888 0.891139 Li\n0.752636 0.500310 0.911913 Fe\n0.493819 0.762489 0.409672 Fe\n0.507426 0.233434 0.594950 Fe\n0.234667 0.504889 0.091669 Fe\n0.986718 0.711399 0.929045 P\n0.710802 0.983138 0.432107 P\n0.756104 0.426234 0.570641 P\n0.417660 0.767703 0.072021 P\n0.571322 0.239609 0.926765 P\n0.237928 0.568997 0.429895 P\n0.283807 0.009835 0.576011 P\n0.015063 0.277509 0.077663 P\n0.965903 0.887547 0.880923 O\n0.886561 0.974196 0.389219 O\n0.846586 0.670352 0.860563 O\n0.686077 0.833248 0.368994 O\n0.943217 0.377095 0.547527 O\n0.365684 0.954310 0.054528 O\n0.044521 0.262442 0.908858 O\n0.314207 0.018827 0.407398 O\n0.422391 0.838915 0.623422 O\n0.845738 0.433678 0.105558 O\n0.521735 0.668124 0.936953 O\n0.653955 0.527695 0.438693 O\n0.679902 0.526291 0.709333 O\n0.528420 0.691395 0.205496 O\n0.731178 0.259133 0.581271 O\n0.260986 0.726718 0.093650 O\n0.742995 0.256899 0.915022 O\n0.267204 0.734028 0.417563 O\n0.468104 0.326212 0.792421 O\n0.316426 0.463920 0.294293 O\n0.331886 0.463679 0.563851 O\n0.474026 0.343359 0.061283 O\n0.160330 0.573377 0.880644 O\n0.569267 0.151748 0.381238 O\n0.679896 0.984860 0.602223 O\n0.982295 0.687228 0.099415 O\n0.599823 0.057100 0.938507 O\n0.050549 0.620761 0.453156 O\n0.309657 0.153402 0.655554 O\n0.160406 0.313837 0.140681 O\n0.106079 0.018931 0.611648 O\n0.000278 0.124084 0.153136 O\n",
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"formula_full": "Li12 Fe4 P8 O32",
"formula_reduced": "Li3Fe(PO4)2",
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{
"id": "mp-1206052",
"created_at": "2022-09-04T14:44:18.609911Z",
"structure_string": "Ce4 Sn2 Pd4\n1.0\n7.810360 0.000000 0.000000\n0.000000 7.810360 0.000000\n0.000000 0.000000 3.810797\nCe Sn Pd\n4 2 4\ndirect\n0.676931 0.176931 0.500000 Ce\n0.323069 0.823069 0.500000 Ce\n0.176931 0.323069 0.500000 Ce\n0.823069 0.676931 0.500000 Ce\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.127740 0.627740 0.000000 Pd\n0.872260 0.372260 0.000000 Pd\n0.627740 0.872260 0.000000 Pd\n0.372260 0.127740 0.000000 Pd\n",
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"volume": 232.4651842592697,
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"formula_full": "Ce4 Sn2 Pd4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
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{
"id": "mp-1209516",
"created_at": "2022-09-04T14:44:22.647237Z",
"structure_string": "Rb4 Mn2 Te4 S12\n1.0\n3.499220 -6.060826 0.000000\n3.499220 6.060826 0.000000\n0.000000 0.000000 15.559146\nRb Mn Te S\n4 2 4 12\ndirect\n0.333333 0.666667 0.796884 Rb\n0.666667 0.333333 0.203116 Rb\n0.666667 0.333333 0.703116 Rb\n0.333333 0.666667 0.296884 Rb\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.538847 Te\n0.666667 0.333333 0.461153 Te\n0.666667 0.333333 0.961153 Te\n0.333333 0.666667 0.038847 Te\n0.109404 0.321833 0.608814 S\n0.890596 0.678167 0.391186 S\n0.678167 0.787571 0.608814 S\n0.321833 0.109404 0.891186 S\n0.321833 0.212429 0.391186 S\n0.678167 0.890596 0.108814 S\n0.212429 0.890596 0.608814 S\n0.787571 0.678167 0.891186 S\n0.787571 0.109404 0.391186 S\n0.212429 0.321833 0.108814 S\n0.890596 0.212429 0.891186 S\n0.109404 0.787571 0.108814 S\n",
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"volume": 659.9618263106532,
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"formula_full": "Rb4 Mn2 Te4 S12",
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"spacegroup": 165
},
{
"id": "mp-1103584",
"created_at": "2022-09-04T14:44:28.340930Z",
"structure_string": "Pr3 Ni2 Sn7\n1.0\n-4.640613 0.000000 0.000000\n0.000000 0.000000 -5.463053\n2.320307 -14.022232 0.000000\nPr Ni Sn\n3 2 7\ndirect\n0.000000 0.500000 0.000000 Pr\n0.188873 0.000000 0.377746 Pr\n0.811127 0.000000 0.622254 Pr\n0.368697 0.500000 0.737395 Ni\n0.631303 0.500000 0.262605 Ni\n0.000000 0.000000 0.000000 Sn\n0.412375 0.000000 0.824750 Sn\n0.587625 0.000000 0.175250 Sn\n0.108968 0.500000 0.217936 Sn\n0.891032 0.500000 0.782064 Sn\n0.280955 0.500000 0.561909 Sn\n0.719045 0.500000 0.438091 Sn\n",
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"formula_full": "Pr3 Ni2 Sn7",
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{
"id": "mp-505334",
"created_at": "2022-09-04T14:44:22.349169Z",
"structure_string": "Dy8 Mn12 Si20\n1.0\n10.568161 0.000000 0.000000\n0.000000 10.568161 0.000000\n0.000000 0.000000 5.428325\nDy Mn Si\n8 12 20\ndirect\n0.236952 0.074302 0.000000 Dy\n0.074302 0.763048 0.000000 Dy\n0.925698 0.236952 0.000000 Dy\n0.763048 0.925698 0.000000 Dy\n0.263048 0.574302 0.500000 Dy\n0.736952 0.425698 0.500000 Dy\n0.574302 0.736952 0.500000 Dy\n0.425698 0.263048 0.500000 Dy\n0.500000 0.000000 0.250000 Mn\n0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Mn\n0.000000 0.500000 0.750000 Mn\n0.355484 0.378940 0.000000 Mn\n0.378940 0.644516 0.000000 Mn\n0.621060 0.355484 0.000000 Mn\n0.644516 0.621060 0.000000 Mn\n0.144516 0.878940 0.500000 Mn\n0.855484 0.121060 0.500000 Mn\n0.878940 0.855484 0.500000 Mn\n0.121060 0.144516 0.500000 Mn\n0.000000 0.000000 0.258148 Si\n0.500000 0.500000 0.241852 Si\n0.000000 0.000000 0.741852 Si\n0.500000 0.500000 0.758148 Si\n0.675541 0.175541 0.250000 Si\n0.175541 0.324459 0.250000 Si\n0.824459 0.675541 0.250000 Si\n0.324459 0.824459 0.250000 Si\n0.324459 0.824459 0.750000 Si\n0.824459 0.675541 0.750000 Si\n0.175541 0.324459 0.750000 Si\n0.675541 0.175541 0.750000 Si\n0.476571 0.184835 0.000000 Si\n0.184835 0.523429 0.000000 Si\n0.815165 0.476571 0.000000 Si\n0.523429 0.815165 0.000000 Si\n0.023429 0.684835 0.500000 Si\n0.976571 0.315165 0.500000 Si\n0.684835 0.976571 0.500000 Si\n0.315165 0.023429 0.500000 Si\n",
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{
"id": "mp-1208209",
"created_at": "2022-09-04T14:44:22.349471Z",
"structure_string": "Tm12 Fe20 O48\n1.0\n-6.226432 6.226432 6.226432\n6.226432 -6.226432 6.226432\n6.226432 6.226432 -6.226432\nTm Fe O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Tm\n0.750000 0.625000 0.875000 Tm\n0.750000 0.125000 0.375000 Tm\n0.125000 0.250000 0.375000 Tm\n0.375000 0.750000 0.125000 Tm\n0.250000 0.875000 0.625000 Tm\n0.875000 0.750000 0.625000 Tm\n0.625000 0.250000 0.875000 Tm\n0.375000 0.125000 0.250000 Tm\n0.625000 0.875000 0.750000 Tm\n0.125000 0.375000 0.750000 Tm\n0.875000 0.625000 0.250000 Tm\n0.250000 0.625000 0.375000 Fe\n0.750000 0.375000 0.625000 Fe\n0.750000 0.875000 0.125000 Fe\n0.375000 0.250000 0.625000 Fe\n0.625000 0.750000 0.375000 Fe\n0.250000 0.125000 0.875000 Fe\n0.125000 0.750000 0.875000 Fe\n0.875000 0.250000 0.125000 Fe\n0.625000 0.375000 0.250000 Fe\n0.375000 0.625000 0.750000 Fe\n0.875000 0.125000 0.750000 Fe\n0.125000 0.875000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.465978 0.372919 0.289414 O\n0.534022 0.627081 0.710586 O\n0.583505 0.176564 0.210586 O\n0.916495 0.127081 0.593059 O\n0.289414 0.465978 0.372919 O\n0.323436 0.916495 0.289414 O\n0.416495 0.823436 0.789414 O\n0.083505 0.872919 0.406941 O\n0.710586 0.534022 0.627081 O\n0.676564 0.083505 0.710586 O\n0.034022 0.323436 0.906941 O\n0.210586 0.583505 0.176564 O\n0.127081 0.034022 0.210586 O\n0.965978 0.676564 0.093059 O\n0.789414 0.416495 0.823436 O\n0.872919 0.965978 0.789414 O\n0.593059 0.916495 0.127081 O\n0.176564 0.465978 0.593059 O\n0.406941 0.083505 0.872919 O\n0.823436 0.534022 0.406941 O\n0.906941 0.034022 0.323436 O\n0.372919 0.583505 0.906941 O\n0.093059 0.965978 0.676564 O\n0.627081 0.416495 0.093059 O\n0.372919 0.289414 0.465978 O\n0.583505 0.906941 0.372919 O\n0.627081 0.710586 0.534022 O\n0.416495 0.093059 0.627081 O\n0.127081 0.593059 0.916495 O\n0.034022 0.210586 0.127081 O\n0.872919 0.406941 0.083505 O\n0.965978 0.789414 0.872919 O\n0.323436 0.906941 0.034022 O\n0.916495 0.289414 0.323436 O\n0.676564 0.093059 0.965978 O\n0.083505 0.710586 0.676564 O\n0.176564 0.210586 0.583505 O\n0.465978 0.593059 0.176564 O\n0.823436 0.789414 0.416495 O\n0.534022 0.406941 0.823436 O\n0.289414 0.323436 0.916495 O\n0.710586 0.676564 0.083505 O\n0.210586 0.127081 0.034022 O\n0.789414 0.872919 0.965978 O\n0.906941 0.372919 0.583505 O\n0.093059 0.627081 0.416495 O\n0.593059 0.176564 0.465978 O\n0.406941 0.823436 0.534022 O\n",
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"formula_full": "Tm12 Fe20 O48",
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{
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{
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{
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{
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]
}