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{
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{
"id": "mp-862339",
"created_at": "2022-09-04T14:40:52.313829Z",
"structure_string": "Sc2 Ga1 Ag1\n1.0\n0.000000 3.409063 3.409063\n3.409063 0.000000 3.409063\n3.409063 3.409063 0.000000\nSc Ga Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n",
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{
"id": "mp-1275810",
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"structure_string": "Li4 Fe6 Te2 O16\n1.0\n-3.016997 1.732499 4.932147\n6.278910 7.249734 4.969447\n-2.972955 5.296823 -0.007910\nLi Fe Te O\n4 6 2 16\ndirect\n0.425903 0.708976 0.439097 Li\n0.925960 0.209002 0.939029 Li\n0.074063 0.791027 0.060990 Li\n0.574092 0.291047 0.560937 Li\n0.500059 0.999976 0.499868 Fe\n0.500097 0.000035 0.999786 Fe\n0.499848 0.499936 0.000077 Fe\n0.999810 0.499984 0.000029 Fe\n0.999998 0.500017 0.499980 Fe\n0.000199 0.999956 0.499901 Fe\n0.249957 0.250041 0.249999 Te\n0.750023 0.749955 0.750064 Te\n0.356042 0.905119 0.380631 O\n0.856041 0.405157 0.880622 O\n0.143934 0.594869 0.119441 O\n0.643932 0.094822 0.619451 O\n0.584833 0.134151 0.147299 O\n0.084789 0.634152 0.647349 O\n0.139716 0.128729 0.592629 O\n0.639680 0.628717 0.092685 O\n0.133314 0.134968 0.146615 O\n0.633294 0.634954 0.646647 O\n0.366705 0.365057 0.353390 O\n0.866697 0.865047 0.853402 O\n0.360324 0.371279 0.907357 O\n0.860320 0.871269 0.407358 O\n0.915199 0.365877 0.352683 O\n0.415170 0.865884 0.852684 O\n",
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],
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"formula_full": "Li4 Fe6 Te2 O16",
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"updated_at": "2021-11-28T01:34:58.548000Z",
"spacegroup": 12
},
{
"id": "mp-1197209",
"created_at": "2022-09-04T14:40:52.346410Z",
"structure_string": "Hg4 H80 C24 N8 Cl16\n1.0\n13.737446 0.000000 0.000000\n0.000000 6.667650 0.000000\n0.000000 5.955138 19.137336\nHg H C N Cl\n4 80 24 8 16\ndirect\n0.242667 0.064321 0.155528 Hg\n0.742667 0.935679 0.344472 Hg\n0.757333 0.935679 0.844472 Hg\n0.257333 0.064321 0.655528 Hg\n0.740038 0.407936 0.959630 H\n0.240038 0.592064 0.540370 H\n0.259962 0.592064 0.040370 H\n0.759962 0.407936 0.459630 H\n0.415275 0.464423 0.697129 H\n0.915275 0.535577 0.802871 H\n0.584725 0.535577 0.302871 H\n0.084725 0.464423 0.197129 H\n0.832774 0.092196 0.993468 H\n0.332774 0.907804 0.506532 H\n0.167226 0.907804 0.006532 H\n0.667226 0.092196 0.493468 H\n0.815701 0.086066 0.083495 H\n0.315701 0.913934 0.416505 H\n0.184299 0.913934 0.916505 H\n0.684299 0.086066 0.583495 H\n0.886791 0.291524 0.024884 H\n0.386791 0.708476 0.475116 H\n0.113209 0.708476 0.975116 H\n0.613209 0.291524 0.524884 H\n0.581847 0.272376 0.001916 H\n0.081847 0.727624 0.498084 H\n0.418153 0.727624 0.998084 H\n0.918153 0.272376 0.501916 H\n0.642240 0.075378 0.070104 H\n0.142240 0.924622 0.429896 H\n0.357760 0.924622 0.929896 H\n0.857760 0.075378 0.570104 H\n0.657141 0.081041 0.979960 H\n0.157141 0.918959 0.520040 H\n0.342859 0.918959 0.020040 H\n0.842859 0.081041 0.479960 H\n0.653527 0.538947 0.043745 H\n0.153527 0.461053 0.456255 H\n0.346473 0.461053 0.956255 H\n0.846473 0.538947 0.543745 H\n0.783011 0.559784 0.048920 H\n0.283011 0.440216 0.451080 H\n0.216989 0.440216 0.951080 H\n0.716989 0.559784 0.548920 H\n0.719655 0.346901 0.111565 H\n0.219655 0.653099 0.388435 H\n0.280345 0.653099 0.888435 H\n0.780345 0.346901 0.611565 H\n0.550838 0.260858 0.673107 H\n0.050838 0.739142 0.826893 H\n0.449162 0.739142 0.326893 H\n0.949162 0.260858 0.173107 H\n0.504751 0.155628 0.760151 H\n0.004751 0.844372 0.739849 H\n0.495249 0.844372 0.239849 H\n0.995249 0.155628 0.260151 H\n0.614144 0.311111 0.745658 H\n0.114144 0.688889 0.754342 H\n0.385856 0.688889 0.254342 H\n0.885856 0.311111 0.245658 H\n0.442778 0.393601 0.821320 H\n0.942778 0.606399 0.678680 H\n0.557222 0.606399 0.178680 H\n0.057222 0.393601 0.321320 H\n0.427629 0.667613 0.775131 H\n0.927629 0.332387 0.724869 H\n0.572371 0.332387 0.224869 H\n0.072371 0.667613 0.275131 H\n0.547486 0.562820 0.799733 H\n0.047486 0.437180 0.700267 H\n0.452514 0.437180 0.200267 H\n0.952514 0.562820 0.299733 H\n0.536381 0.629306 0.612542 H\n0.036381 0.370694 0.887458 H\n0.463619 0.370694 0.387458 H\n0.963619 0.629306 0.112542 H\n0.601783 0.692503 0.682051 H\n0.101783 0.307497 0.817949 H\n0.398217 0.307497 0.317949 H\n0.898217 0.692503 0.182051 H\n0.483036 0.802893 0.655212 H\n0.983036 0.197107 0.844788 H\n0.516964 0.197107 0.344788 H\n0.016964 0.802893 0.155212 H\n0.824407 0.186438 0.029531 C\n0.324407 0.813562 0.470469 C\n0.175593 0.813562 0.970469 C\n0.675593 0.186438 0.529531 C\n0.647189 0.175172 0.015851 C\n0.147189 0.824828 0.484149 C\n0.352811 0.824828 0.984149 C\n0.852811 0.175172 0.515851 C\n0.721502 0.450741 0.057710 C\n0.221502 0.549259 0.442290 C\n0.278498 0.549259 0.942290 C\n0.778498 0.450741 0.557710 C\n0.543046 0.287499 0.723941 C\n0.043046 0.712501 0.776059 C\n0.456954 0.712501 0.276059 C\n0.956954 0.287499 0.223941 C\n0.474668 0.530657 0.782929 C\n0.974668 0.469343 0.717071 C\n0.525332 0.469343 0.217071 C\n0.025332 0.530657 0.282929 C\n0.530185 0.665638 0.662116 C\n0.030185 0.334362 0.837884 C\n0.469815 0.334362 0.337884 C\n0.969815 0.665638 0.162116 C\n0.733645 0.314427 0.011152 N\n0.233645 0.685573 0.488848 N\n0.266355 0.685573 0.988848 N\n0.766355 0.314427 0.511152 N\n0.484953 0.482995 0.715089 N\n0.984953 0.517005 0.784911 N\n0.515047 0.517005 0.284911 N\n0.015047 0.482995 0.215089 N\n0.229813 0.675470 0.154115 Cl\n0.729813 0.324530 0.345885 Cl\n0.770187 0.324530 0.845885 Cl\n0.270187 0.675470 0.654115 Cl\n0.397013 0.225473 0.094606 Cl\n0.897013 0.774527 0.405394 Cl\n0.602987 0.774527 0.905394 Cl\n0.102987 0.225473 0.594606 Cl\n0.102853 0.253847 0.075297 Cl\n0.602853 0.746153 0.424703 Cl\n0.897147 0.746153 0.924703 Cl\n0.397147 0.253847 0.575297 Cl\n0.215193 0.062283 0.280610 Cl\n0.715193 0.937717 0.219390 Cl\n0.784807 0.937717 0.719390 Cl\n0.284807 0.062283 0.780610 Cl\n",
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"elements": [
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"C",
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],
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"volume": 1752.9126490435926,
"volume_molar": 7.997186903428027,
"formula_full": "Hg4 H80 C24 N8 Cl16",
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"spacegroup": 14
},
{
"id": "mp-1195124",
"created_at": "2022-09-04T14:40:52.386629Z",
"structure_string": "Ba10 Zn4 B8 O24 F4\n1.0\n3.683419 13.065161 0.000000\n-3.683419 13.065161 0.000000\n0.000000 2.188651 7.832502\nBa Zn B O F\n10 4 8 24 4\ndirect\n0.926609 0.738390 0.900716 Ba\n0.261610 0.073391 0.599284 Ba\n0.073391 0.261610 0.099284 Ba\n0.738390 0.926609 0.400716 Ba\n0.314243 0.536834 0.164553 Ba\n0.463166 0.685757 0.335447 Ba\n0.685757 0.463166 0.835447 Ba\n0.536834 0.314243 0.664553 Ba\n0.069449 0.930551 0.750000 Ba\n0.930551 0.069449 0.250000 Ba\n0.155185 0.462403 0.516711 Zn\n0.537597 0.844815 0.983289 Zn\n0.844815 0.537597 0.483289 Zn\n0.462403 0.155185 0.016711 Zn\n0.114436 0.732429 0.530170 B\n0.267571 0.885564 0.969830 B\n0.885564 0.267571 0.469830 B\n0.732429 0.114436 0.030170 B\n0.122051 0.428677 0.224492 B\n0.571323 0.877949 0.275508 B\n0.877949 0.571323 0.775508 B\n0.428677 0.122051 0.724492 B\n0.277461 0.772205 0.041184 O\n0.227795 0.722539 0.458816 O\n0.722539 0.227795 0.958816 O\n0.772205 0.277461 0.541184 O\n0.375385 0.189208 0.557204 O\n0.810792 0.624615 0.942796 O\n0.624615 0.810792 0.442796 O\n0.189208 0.375385 0.057204 O\n0.092585 0.544429 0.271687 O\n0.455571 0.907415 0.228313 O\n0.907415 0.455571 0.728313 O\n0.544429 0.092585 0.771687 O\n0.918839 0.631056 0.664528 O\n0.368944 0.081161 0.835472 O\n0.081161 0.368944 0.335472 O\n0.631056 0.918839 0.164528 O\n0.928603 0.898461 0.591027 O\n0.101539 0.071397 0.908973 O\n0.071397 0.101539 0.408973 O\n0.898461 0.928603 0.091027 O\n0.197848 0.567124 0.531842 O\n0.432876 0.802152 0.968158 O\n0.802152 0.432876 0.468158 O\n0.567124 0.197848 0.031842 O\n0.236906 0.608808 0.851347 F\n0.391192 0.763094 0.648653 F\n0.763094 0.391192 0.148653 F\n0.608808 0.236906 0.351347 F\n",
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{
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{
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"structure_string": "Th3 Rh1\n1.0\n-2.258281 2.258281 5.305796\n2.258281 -2.258281 5.305796\n2.258281 2.258281 -5.305796\nTh Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 Th\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Rh\n",
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{
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{
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"structure_string": "U2 Te4\n1.0\n-2.110422 3.095393 6.911791\n2.110422 -3.095393 6.911791\n2.110422 3.095393 -6.911791\nU Te\n2 4\ndirect\n0.133213 0.133213 0.000000 U\n0.866787 0.866787 0.000000 U\n0.749795 0.500000 0.249795 Te\n0.250205 0.500000 0.750205 Te\n0.703339 0.203339 0.500000 Te\n0.296661 0.796661 0.500000 Te\n",
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