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{
"id": "mp-1047798",
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"structure_string": "Cu8 Mo8 O32\n1.0\n8.888577 0.000000 0.000000\n0.000000 6.695474 0.000000\n0.000000 0.037636 12.133807\nCu Mo O\n8 8 32\ndirect\n0.839752 0.215818 0.879499 Cu\n0.954842 0.627223 0.614155 Cu\n0.045158 0.372777 0.385845 Cu\n0.160248 0.784182 0.120501 Cu\n0.660248 0.215818 0.379499 Cu\n0.545158 0.627223 0.114155 Cu\n0.339752 0.784182 0.620501 Cu\n0.454842 0.372777 0.885845 Cu\n0.550216 0.895075 0.857246 Mo\n0.949784 0.895075 0.357246 Mo\n0.902220 0.404110 0.140912 Mo\n0.050216 0.104925 0.642754 Mo\n0.097780 0.595890 0.859088 Mo\n0.402220 0.595890 0.359088 Mo\n0.597780 0.404110 0.640912 Mo\n0.449784 0.104925 0.142754 Mo\n0.754560 0.959111 0.375690 O\n0.001829 0.350270 0.585102 O\n0.378154 0.793017 0.455576 O\n0.878154 0.206983 0.044424 O\n0.745440 0.959111 0.875690 O\n0.245440 0.040889 0.624310 O\n0.926020 0.910294 0.591409 O\n0.087884 0.514235 0.126310 O\n0.412116 0.514235 0.626310 O\n0.126356 0.685377 0.714760 O\n0.626356 0.314623 0.785240 O\n0.912116 0.485765 0.873690 O\n0.073980 0.089706 0.408591 O\n0.485008 0.126480 0.286300 O\n0.738671 0.584017 0.611548 O\n0.761329 0.584017 0.111548 O\n0.985008 0.873520 0.213700 O\n0.587884 0.485765 0.373690 O\n0.514992 0.873520 0.713700 O\n0.621846 0.206983 0.544424 O\n0.498171 0.350270 0.085102 O\n0.873644 0.314623 0.285240 O\n0.254560 0.040889 0.124310 O\n0.573980 0.910294 0.091409 O\n0.121846 0.793017 0.955576 O\n0.238671 0.415983 0.888452 O\n0.998171 0.649730 0.414898 O\n0.501829 0.649730 0.914898 O\n0.426020 0.089706 0.908591 O\n0.261329 0.415983 0.388452 O\n0.373644 0.685377 0.214760 O\n0.014992 0.126480 0.786300 O\n",
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{
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"structure_string": "Pr14 Au51\n1.0\n6.525441 -11.302394 0.000000\n6.525441 11.302394 0.000000\n0.000000 0.000000 9.482341\nPr Au\n14 51\ndirect\n0.131615 0.473205 0.500000 Pr\n0.526795 0.658410 0.500000 Pr\n0.341590 0.868385 0.500000 Pr\n0.199169 0.191938 0.500000 Pr\n0.808062 0.007230 0.500000 Pr\n0.992770 0.800831 0.500000 Pr\n0.782637 0.717521 0.000000 Pr\n0.282479 0.065116 0.000000 Pr\n0.934884 0.217363 0.000000 Pr\n0.547738 0.933117 0.000000 Pr\n0.066883 0.614621 0.000000 Pr\n0.385379 0.452262 0.000000 Pr\n0.666667 0.333333 0.297088 Pr\n0.666667 0.333333 0.702912 Pr\n0.729384 0.570992 0.500000 Au\n0.429008 0.158392 0.500000 Au\n0.841608 0.270616 0.500000 Au\n0.602820 0.093829 0.500000 Au\n0.906171 0.508991 0.500000 Au\n0.491009 0.397180 0.500000 Au\n0.160342 0.447901 0.153043 Au\n0.552099 0.712441 0.153043 Au\n0.287559 0.839658 0.153043 Au\n0.168319 0.217545 0.151007 Au\n0.782455 0.950774 0.151007 Au\n0.049226 0.831681 0.151007 Au\n0.168319 0.217545 0.848993 Au\n0.782455 0.950774 0.848993 Au\n0.049226 0.831681 0.848993 Au\n0.160342 0.447901 0.846957 Au\n0.552099 0.712441 0.846957 Au\n0.287559 0.839658 0.846957 Au\n0.333333 0.666667 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.773078 0.773392 0.334116 Au\n0.226608 0.999686 0.334116 Au\n0.000314 0.226922 0.334116 Au\n0.560365 0.890700 0.335863 Au\n0.109300 0.669664 0.335863 Au\n0.330336 0.439635 0.335863 Au\n0.560365 0.890700 0.664137 Au\n0.109300 0.669664 0.664137 Au\n0.330336 0.439635 0.664137 Au\n0.773078 0.773392 0.665884 Au\n0.226608 0.999686 0.665884 Au\n0.000314 0.226922 0.665884 Au\n0.864890 0.603994 0.236685 Au\n0.396006 0.260895 0.236685 Au\n0.739105 0.135110 0.236685 Au\n0.471288 0.067806 0.230248 Au\n0.932194 0.403482 0.230248 Au\n0.596518 0.528712 0.230248 Au\n0.471288 0.067806 0.769752 Au\n0.932194 0.403482 0.769752 Au\n0.596518 0.528712 0.769752 Au\n0.864890 0.603994 0.763315 Au\n0.396006 0.260895 0.763315 Au\n0.739105 0.135110 0.763315 Au\n0.333333 0.666667 0.303445 Au\n0.000000 0.000000 0.303545 Au\n0.000000 0.000000 0.696455 Au\n0.333333 0.666667 0.696555 Au\n0.804485 0.444319 0.000000 Au\n0.555681 0.360166 0.000000 Au\n0.639834 0.195515 0.000000 Au\n",
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"elements": [
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"volume": 1398.704186739669,
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"formula_full": "Pr14 Au51",
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"energy": -274.93059643,
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"spacegroup": 174
},
{
"id": "mp-6973",
"created_at": "2022-09-04T14:42:47.957411Z",
"structure_string": "Cs2 Na2 S2\n1.0\n4.843046 0.000000 0.000000\n0.000000 4.843046 0.000000\n0.000000 0.000000 7.976257\nCs Na S\n2 2 2\ndirect\n0.500000 0.000000 0.651808 Cs\n0.000000 0.500000 0.348192 Cs\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.807289 S\n0.500000 0.000000 0.192711 S\n",
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"density_atomic": 0.032071178833341964,
"volume": 187.0838621548347,
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"formula_full": "Cs2 Na2 S2",
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"updated_at": "2021-11-28T01:36:06.555000Z",
"spacegroup": 129
},
{
"id": "mp-10009",
"created_at": "2022-09-04T14:42:52.044573Z",
"structure_string": "Ga4 Te4\n1.0\n2.067300 -3.580668 0.000000\n2.067300 3.580668 0.000000\n0.000000 0.000000 18.425570\nGa Te\n4 4\ndirect\n0.333333 0.666667 0.182959 Ga\n0.666667 0.333333 0.682959 Ga\n0.666667 0.333333 0.817041 Ga\n0.333333 0.666667 0.317041 Ga\n0.333333 0.666667 0.886204 Te\n0.666667 0.333333 0.386204 Te\n0.666667 0.333333 0.113796 Te\n0.333333 0.666667 0.613796 Te\n",
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{
"id": "mp-757958",
"created_at": "2022-09-04T14:42:52.137507Z",
"structure_string": "Li4 Ti2 Nb3 V3 O16\n1.0\n2.992397 5.267004 0.000000\n-2.992397 5.267004 0.000000\n0.000000 0.073676 9.828073\nLi Ti Nb V O\n4 2 3 3 16\ndirect\n0.667634 0.667634 0.901244 Li\n0.004335 0.004335 0.991095 Li\n0.008400 0.008400 0.492007 Li\n0.334798 0.334798 0.388482 Li\n0.657739 0.657739 0.495178 Ti\n0.327190 0.327190 0.000320 Ti\n0.826678 0.826678 0.223015 Nb\n0.635358 0.182312 0.715820 Nb\n0.182312 0.635358 0.715820 Nb\n0.818814 0.349589 0.211661 V\n0.349589 0.818814 0.211661 V\n0.172445 0.172445 0.711648 V\n0.821365 0.340182 0.594752 O\n0.525010 0.525010 0.351161 O\n0.676622 0.676622 0.097836 O\n0.998772 0.998772 0.306451 O\n0.001199 0.001199 0.806202 O\n0.340182 0.821365 0.594752 O\n0.964829 0.523003 0.342994 O\n0.523003 0.964829 0.342994 O\n0.169499 0.169499 0.092716 O\n0.829520 0.829520 0.593097 O\n0.488505 0.040990 0.847065 O\n0.040990 0.488505 0.847065 O\n0.327768 0.327768 0.581247 O\n0.656928 0.162134 0.097233 O\n0.486952 0.486952 0.857107 O\n0.162134 0.656928 0.097233 O\n",
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"formula_full": "Li4 Ti2 Nb3 V3 O16",
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{
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"structure_string": "W6 O2\n1.0\n4.980141 0.000000 0.000000\n0.000000 4.980141 0.000000\n0.000000 0.000000 4.980141\nW O\n6 2\ndirect\n0.500000 0.750000 0.000000 W\n0.000000 0.500000 0.750000 W\n0.250000 0.000000 0.500000 W\n0.500000 0.250000 0.000000 W\n0.000000 0.500000 0.250000 W\n0.750000 0.000000 0.500000 W\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-778748",
"created_at": "2022-09-04T14:42:52.168836Z",
"structure_string": "Li24 Fe8 B8 O32\n1.0\n-5.081909 5.081909 6.451658\n5.081909 -5.081909 6.451658\n5.081909 5.081909 -6.451658\nLi Fe B O\n24 8 8 32\ndirect\n0.922567 0.093932 0.139958 Li\n0.827433 0.156068 0.360042 Li\n0.906068 0.046026 0.828634 Li\n0.532609 0.172567 0.328634 Li\n0.413500 0.267147 0.102236 Li\n0.714759 0.560865 0.132623 Li\n0.217391 0.077433 0.171366 Li\n0.843932 0.203974 0.671366 Li\n0.732853 0.835089 0.146353 Li\n0.439135 0.571758 0.153894 Li\n0.796026 0.467391 0.639958 Li\n0.953974 0.782609 0.860042 Li\n0.310865 0.678242 0.346106 Li\n0.417865 0.285241 0.846106 Li\n0.017147 0.414911 0.353647 Li\n0.688736 0.586501 0.853647 Li\n0.035241 0.689135 0.367377 Li\n0.428242 0.582135 0.867377 Li\n0.585089 0.938736 0.602236 Li\n0.336501 0.982853 0.397764 Li\n0.164911 0.311264 0.897764 Li\n0.321758 0.667865 0.632623 Li\n0.061264 0.663500 0.646353 Li\n0.332135 0.964759 0.653894 Li\n0.461380 0.919213 0.994114 Fe\n0.532734 0.538620 0.457832 Fe\n0.669213 0.175098 0.957832 Fe\n0.824902 0.782734 0.494114 Fe\n0.288620 0.330787 0.505886 Fe\n0.080787 0.074902 0.542168 Fe\n0.217266 0.711380 0.042168 Fe\n0.925098 0.467266 0.005886 Fe\n0.726523 0.396776 0.276694 B\n0.550171 0.273477 0.670253 B\n0.146776 0.370082 0.170253 B\n0.603224 0.879918 0.329747 B\n0.629918 0.800171 0.776694 B\n0.023477 0.853224 0.223306 B\n0.120082 0.449829 0.723306 B\n0.199829 0.976523 0.829747 B\n0.798540 0.263268 0.230062 O\n0.318479 0.048540 0.035272 O\n0.594270 0.360076 0.089864 O\n0.885422 0.680729 0.113017 O\n0.864578 0.569271 0.386983 O\n0.648414 0.385378 0.375591 O\n0.431521 0.201460 0.464728 O\n0.319271 0.432288 0.204693 O\n0.522405 0.135422 0.704693 O\n0.951460 0.986732 0.269938 O\n0.135378 0.259787 0.236964 O\n0.727177 0.351586 0.736964 O\n0.639924 0.729788 0.234194 O\n0.110076 0.520212 0.265806 O\n0.495593 0.405730 0.765806 O\n0.614622 0.990213 0.263036 O\n0.716793 0.681521 0.730062 O\n0.227595 0.114578 0.795307 O\n0.430729 0.817712 0.295307 O\n0.736732 0.966793 0.535272 O\n0.479788 0.745593 0.589864 O\n0.101586 0.864622 0.124409 O\n0.009787 0.272823 0.624409 O\n0.182288 0.477595 0.613017 O\n0.567712 0.772405 0.886983 O\n0.740213 0.977177 0.875591 O\n0.270212 0.504407 0.910136 O\n0.155730 0.889924 0.410136 O\n0.013268 0.283207 0.964728 O\n0.033207 0.568479 0.769938 O\n0.254407 0.844270 0.734194 O\n0.022823 0.898414 0.763036 O\n",
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{
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{
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"structure_string": "Te2 Mo1 W2 S4\n1.0\n1.651455 -2.860403 0.000000\n1.651455 2.860403 0.000000\n0.000000 0.000000 30.582548\nTe Mo W S\n2 1 2 4\ndirect\n0.000000 0.000000 0.410003 Te\n0.000000 0.000000 0.283922 Te\n0.000000 0.000000 0.115615 Mo\n0.000000 0.000000 0.578367 W\n0.333333 0.666667 0.346963 W\n0.333333 0.666667 0.065596 S\n0.333333 0.666667 0.528101 S\n0.333333 0.666667 0.165671 S\n0.333333 0.666667 0.628603 S\n",
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{
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{
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}