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{
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"results": [
{
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"structure_string": "Ba1 Sr1 Tb1 Nb1 O6\n1.0\n0.000000 -4.263392 -4.263392\n4.263392 0.000000 -4.263392\n4.263392 -4.263392 0.000000\nBa Sr Tb Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Nb\n0.763250 0.236750 0.236750 O\n0.236750 0.763250 0.763250 O\n0.763250 0.236750 0.763250 O\n0.236750 0.763250 0.236750 O\n0.763250 0.763250 0.236750 O\n0.236750 0.236750 0.763250 O\n",
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{
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"spacegroup": 14
},
{
"id": "mp-25542",
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"structure_string": "Li2 Mn2 O4\n1.0\n3.164144 -0.161280 0.114534\n-0.279376 5.137354 -0.114578\n0.198783 -0.114111 5.166693\nLi Mn O\n2 2 4\ndirect\n0.499634 0.166970 0.416576 Li\n0.999634 0.666971 0.416575 Li\n0.482231 0.505696 0.976338 Mn\n0.982254 0.005680 0.976352 Mn\n0.042549 0.318667 0.214946 O\n0.542544 0.818666 0.214939 O\n0.475531 0.175324 0.783533 O\n0.975518 0.675324 0.783539 O\n",
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{
"id": "mp-582587",
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"structure_string": "Sb8 H48 C16 I8\n1.0\n7.023057 0.000000 0.000000\n0.000000 11.095329 0.000000\n0.000000 0.000000 17.616801\nSb H C I\n8 48 16 8\ndirect\n0.205943 0.867629 0.675704 Sb\n0.794057 0.367629 0.824296 Sb\n0.205943 0.632371 0.175704 Sb\n0.294057 0.367629 0.675704 Sb\n0.294057 0.132371 0.175704 Sb\n0.705943 0.632371 0.324296 Sb\n0.794057 0.132371 0.324296 Sb\n0.705943 0.867629 0.824296 Sb\n0.999142 0.653724 0.424750 H\n0.514758 0.650537 0.460613 H\n0.526358 0.985274 0.626280 H\n0.087790 0.702875 0.571706 H\n0.618032 0.272841 0.612437 H\n0.499142 0.846276 0.575250 H\n0.026358 0.514726 0.373720 H\n0.118032 0.227159 0.387563 H\n0.499142 0.653724 0.075250 H\n0.985242 0.150537 0.460613 H\n0.618032 0.227159 0.112437 H\n0.014758 0.650537 0.039387 H\n0.412210 0.202875 0.571706 H\n0.118032 0.272841 0.887563 H\n0.973642 0.485274 0.626280 H\n0.881968 0.772841 0.612437 H\n0.858461 0.525336 0.450898 H\n0.141539 0.025336 0.049102 H\n0.641539 0.025336 0.450898 H\n0.473642 0.485274 0.873720 H\n0.587790 0.702875 0.928294 H\n0.881968 0.727159 0.112437 H\n0.087790 0.797125 0.071706 H\n0.912210 0.297125 0.428294 H\n0.985242 0.349463 0.960613 H\n0.973642 0.014726 0.126280 H\n0.587790 0.797125 0.428294 H\n0.000858 0.346276 0.575250 H\n0.412210 0.297125 0.071706 H\n0.485242 0.349463 0.539387 H\n0.000858 0.153724 0.075250 H\n0.485242 0.150537 0.039387 H\n0.999142 0.846276 0.924750 H\n0.912210 0.202875 0.928294 H\n0.358461 0.525336 0.049102 H\n0.026358 0.985274 0.873720 H\n0.014758 0.849463 0.539387 H\n0.141539 0.474664 0.549102 H\n0.500858 0.153724 0.424750 H\n0.473642 0.014726 0.373720 H\n0.526358 0.514726 0.126280 H\n0.514758 0.849463 0.960613 H\n0.381968 0.772841 0.887563 H\n0.858461 0.974664 0.950898 H\n0.641539 0.474664 0.950898 H\n0.500858 0.346276 0.924750 H\n0.381968 0.727159 0.387563 H\n0.358461 0.974664 0.549102 H\n0.476284 0.210981 0.088446 C\n0.925407 0.926683 0.903557 C\n0.523716 0.710981 0.411554 C\n0.074593 0.426683 0.596443 C\n0.074593 0.073317 0.096443 C\n0.476284 0.289019 0.588446 C\n0.023716 0.710981 0.088446 C\n0.425407 0.926683 0.596443 C\n0.523716 0.789019 0.911554 C\n0.023716 0.789019 0.588446 C\n0.425407 0.573317 0.096443 C\n0.976284 0.210981 0.411554 C\n0.574593 0.426683 0.903557 C\n0.925407 0.573317 0.403557 C\n0.976284 0.289019 0.911554 C\n0.574593 0.073317 0.403557 C\n0.509906 0.093743 0.830528 I\n0.490094 0.593743 0.669472 I\n0.009906 0.406257 0.169472 I\n0.509906 0.406257 0.330528 I\n0.490094 0.906257 0.169472 I\n0.990094 0.593743 0.830528 I\n0.990094 0.906257 0.330528 I\n0.009906 0.093743 0.669472 I\n",
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"formula_full": "Sb8 H48 C16 I8",
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{
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"structure_string": "Yb2 Br2 O1\n1.0\n6.343080 0.000000 0.000000\n0.000000 6.343080 0.000000\n0.000000 0.000000 13.542525\nYb Br O\n2 2 1\ndirect\n0.500000 0.500000 0.152199 Yb\n0.500000 0.500000 0.847801 Yb\n0.500000 0.500000 0.651614 Br\n0.500000 0.500000 0.348386 Br\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Hf4 Cr4 O12\n1.0\n4.906804 0.000000 0.000000\n0.000000 5.329205 0.000000\n0.000000 0.000000 9.361863\nHf Cr O\n4 4 12\ndirect\n0.048297 0.956413 0.750000 Hf\n0.451703 0.456413 0.750000 Hf\n0.548297 0.543587 0.250000 Hf\n0.951703 0.043587 0.250000 Hf\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.193678 0.359836 0.250000 O\n0.306322 0.859837 0.250000 O\n0.693678 0.140164 0.750000 O\n0.806322 0.640163 0.750000 O\n0.214019 0.221213 0.604262 O\n0.214019 0.221213 0.895738 O\n0.285981 0.721213 0.604262 O\n0.285981 0.721213 0.895738 O\n0.714019 0.278787 0.104262 O\n0.714019 0.278787 0.395738 O\n0.785981 0.778787 0.104262 O\n0.785981 0.778787 0.395738 O\n",
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{
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{
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"structure_string": "K2 Tb2 Sn2 W2 O12\n1.0\n5.950287 0.000000 0.000000\n0.000000 5.950287 0.000000\n0.000000 0.000000 8.389562\nK Tb Sn W O\n2 2 2 2 12\ndirect\n0.000000 0.000000 0.250000 K\n-0.000000 -0.000000 0.750000 K\n0.500000 -0.000000 0.500000 Tb\n-0.000000 0.500000 0.000000 Tb\n0.500000 0.500000 0.750000 Sn\n0.500000 0.500000 0.250000 Sn\n0.500000 0.000000 0.000000 W\n-0.000000 0.500000 0.500000 W\n0.274447 0.760873 -0.000000 O\n0.725553 0.239127 0.000000 O\n0.239127 0.725553 0.500000 O\n0.760873 0.274447 0.500000 O\n0.725553 0.760873 0.000000 O\n0.760873 0.725553 0.500000 O\n0.274447 0.239127 -0.000000 O\n0.239127 0.274447 0.500000 O\n0.500000 0.000000 0.768101 O\n-0.000000 0.500000 0.731899 O\n0.500000 0.000000 0.231899 O\n-0.000000 0.500000 0.268101 O\n",
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{
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{
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"formula_full": "Mg1 Cu4 H8 C2 O10",
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{
"id": "mp-561886",
"created_at": "2022-09-04T14:42:16.369159Z",
"structure_string": "Cs4 Nd4 P16 O48\n1.0\n9.154077 0.000000 0.000000\n0.000000 10.626090 0.000000\n0.000000 7.372049 10.905314\nCs Nd P O\n4 4 16 48\ndirect\n0.434294 0.775248 0.539175 Cs\n0.934294 0.224752 0.960825 Cs\n0.565706 0.224752 0.460825 Cs\n0.065706 0.775248 0.039175 Cs\n0.274010 0.316684 0.181408 Nd\n0.225990 0.316684 0.681408 Nd\n0.774010 0.683316 0.318592 Nd\n0.725990 0.683316 0.818592 Nd\n0.175059 0.675160 0.363903 P\n0.469758 0.967021 0.785049 P\n0.824941 0.324840 0.636097 P\n0.103885 0.200137 0.474566 P\n0.530242 0.032979 0.214951 P\n0.407062 0.614257 0.241337 P\n0.896115 0.799863 0.525434 P\n0.592938 0.385743 0.758663 P\n0.907062 0.385743 0.258663 P\n0.324941 0.675160 0.863903 P\n0.092938 0.614257 0.741337 P\n0.396115 0.200137 0.974566 P\n0.603885 0.799863 0.025434 P\n0.030242 0.967021 0.285049 P\n0.969758 0.032979 0.714951 P\n0.675059 0.324840 0.136097 P\n0.036876 0.422154 0.176981 O\n0.035526 0.632640 0.330839 O\n0.549311 0.266004 0.900322 O\n0.706577 0.837801 0.093593 O\n0.963124 0.577846 0.823019 O\n0.902225 0.878627 0.793021 O\n0.460844 0.046245 0.095397 O\n0.450689 0.733996 0.099678 O\n0.919750 0.923842 0.224805 O\n0.823609 0.514024 0.247788 O\n0.080250 0.076158 0.775195 O\n0.536876 0.577846 0.323019 O\n0.159896 0.840257 0.344247 O\n0.244469 0.572110 0.487093 O\n0.293423 0.162199 0.906407 O\n0.206577 0.162199 0.406407 O\n0.580250 0.923842 0.724805 O\n0.793693 0.278585 0.244072 O\n0.039156 0.046245 0.595397 O\n0.255531 0.572110 0.987093 O\n0.323609 0.485976 0.252212 O\n0.539156 0.953755 0.904603 O\n0.755531 0.427890 0.512907 O\n0.840562 0.700392 0.486486 O\n0.159438 0.299608 0.513514 O\n0.793423 0.837801 0.593593 O\n0.706307 0.278585 0.744072 O\n0.659896 0.159743 0.155753 O\n0.840104 0.159743 0.655753 O\n0.206307 0.721415 0.755928 O\n0.659438 0.700392 0.986486 O\n0.597775 0.878627 0.293021 O\n0.340562 0.299608 0.013514 O\n0.676391 0.514024 0.747788 O\n0.402225 0.121373 0.706979 O\n0.340104 0.840257 0.844247 O\n0.744469 0.427890 0.012907 O\n0.463124 0.422154 0.676981 O\n0.293693 0.721415 0.255928 O\n0.097775 0.121373 0.206979 O\n0.464474 0.632640 0.830839 O\n0.950689 0.266004 0.400322 O\n0.964474 0.367360 0.669161 O\n0.049311 0.733996 0.599678 O\n0.176391 0.485976 0.752212 O\n0.419750 0.076158 0.275195 O\n0.535526 0.367360 0.169161 O\n0.960844 0.953755 0.404603 O\n",
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"formula_full": "Cs4 Nd4 P16 O48",
"formula_reduced": "CsNd(PO3)4",
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"updated_at": "2021-11-28T01:35:42.919000Z",
"spacegroup": 14
},
{
"id": "mp-1519075",
"created_at": "2022-09-04T14:42:18.361620Z",
"structure_string": "Sr2 Ti1 Sn1 O6\n1.0\n0.000000 -4.029268 -4.029268\n4.029268 0.000000 -4.029268\n4.029268 -4.029268 0.000000\nSr Ti Sn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Sn\n0.744109 0.255891 0.255891 O\n0.255891 0.744109 0.744109 O\n0.744109 0.255891 0.744109 O\n0.255891 0.744109 0.255891 O\n0.744109 0.744109 0.255891 O\n0.255891 0.255891 0.744109 O\n",
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"volume": 130.83033692263987,
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"formula_full": "Sr2 Ti1 Sn1 O6",
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]
}