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{
"id": "mp-29975",
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"structure_string": "K12 B4 S12\n1.0\n6.276740 0.000000 0.000000\n0.000000 10.322829 0.000000\n0.000000 4.802090 11.815340\nK B S\n12 4 12\ndirect\n0.726951 0.468631 0.407906 K\n0.226951 0.531369 0.092094 K\n0.273049 0.531369 0.592094 K\n0.773049 0.468631 0.907906 K\n0.831973 0.765346 0.110479 K\n0.331973 0.234654 0.389521 K\n0.168027 0.234654 0.889521 K\n0.668027 0.765346 0.610479 K\n0.555716 0.099342 0.149780 K\n0.055716 0.900658 0.350220 K\n0.444284 0.900658 0.850220 K\n0.944284 0.099342 0.649780 K\n0.871118 0.268359 0.240550 B\n0.371118 0.731641 0.259450 B\n0.128882 0.731641 0.759450 B\n0.628882 0.268359 0.740550 B\n0.703624 0.421756 0.168583 S\n0.203624 0.578244 0.331417 S\n0.296376 0.578244 0.831417 S\n0.796376 0.421756 0.668583 S\n0.827985 0.162287 0.391057 S\n0.327985 0.837713 0.108943 S\n0.172015 0.837713 0.608943 S\n0.672015 0.162287 0.891057 S\n0.425239 0.213187 0.661539 S\n0.925239 0.786813 0.838461 S\n0.574761 0.786813 0.338461 S\n0.074761 0.213187 0.161539 S\n",
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{
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"structure_string": "K1 Mg14 Cu1\n1.0\n6.460532 -0.000000 0.000000\n-3.230266 5.594985 -0.000000\n-0.000000 0.000000 10.456040\nK Mg Cu\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.158388 0.829194 0.125000 Mg\n0.173941 0.836970 0.625000 Mg\n0.670806 0.341612 0.125000 Mg\n0.663030 0.326059 0.625000 Mg\n0.670806 0.829194 0.125000 Mg\n0.663030 0.836970 0.625000 Mg\n0.332021 0.167979 0.351492 Mg\n0.332021 0.167979 0.898508 Mg\n0.332021 0.664044 0.351492 Mg\n0.332021 0.664044 0.898508 Mg\n0.835956 0.167979 0.351492 Mg\n0.835956 0.167979 0.898508 Mg\n0.833333 0.666667 0.380718 Mg\n0.833333 0.666667 0.869282 Mg\n0.166667 0.333333 0.125000 Cu\n",
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{
"id": "mp-1204317",
"created_at": "2022-09-04T14:42:12.436242Z",
"structure_string": "Ce4 H48 N20 F16\n1.0\n9.504626 0.000000 0.000000\n0.000000 9.504626 0.000000\n0.000000 0.000000 11.268957\nCe H N F\n4 48 20 16\ndirect\n0.750000 0.250000 0.250000 Ce\n0.750000 0.250000 0.750000 Ce\n0.250000 0.750000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.536950 0.176474 0.450425 H\n0.963050 0.176474 0.950425 H\n0.536950 0.323526 0.950425 H\n0.963050 0.323526 0.450425 H\n0.176474 0.536950 0.950425 H\n0.323526 0.536950 0.450425 H\n0.176474 0.963050 0.450425 H\n0.323526 0.963050 0.950425 H\n0.463050 0.823526 0.549575 H\n0.036950 0.823526 0.049575 H\n0.463050 0.676474 0.049575 H\n0.036950 0.676474 0.549575 H\n0.823526 0.463050 0.049575 H\n0.676474 0.463050 0.549575 H\n0.823526 0.036950 0.549575 H\n0.676474 0.036950 0.049575 H\n0.501091 0.045454 0.357770 H\n0.998909 0.045454 0.857770 H\n0.501091 0.454546 0.857770 H\n0.998909 0.454546 0.357770 H\n0.045454 0.501091 0.857770 H\n0.454546 0.501091 0.357770 H\n0.045454 0.998909 0.357770 H\n0.454546 0.998909 0.857770 H\n0.498909 0.954546 0.642230 H\n0.001091 0.954546 0.142230 H\n0.498909 0.545454 0.142230 H\n0.001091 0.545454 0.642230 H\n0.954546 0.498909 0.142230 H\n0.545454 0.498909 0.642230 H\n0.954546 0.001091 0.642230 H\n0.545454 0.001091 0.142230 H\n0.443682 0.206856 0.328708 H\n0.056318 0.206856 0.828708 H\n0.443682 0.293144 0.828708 H\n0.056318 0.293144 0.328708 H\n0.206856 0.443682 0.828708 H\n0.293144 0.443682 0.328708 H\n0.206856 0.056318 0.328708 H\n0.293144 0.056318 0.828708 H\n0.556318 0.793144 0.671292 H\n0.943682 0.793144 0.171292 H\n0.556318 0.706856 0.171292 H\n0.943682 0.706856 0.671292 H\n0.793144 0.556318 0.171292 H\n0.706856 0.556318 0.671292 H\n0.793144 0.943682 0.671292 H\n0.706856 0.943682 0.171292 H\n0.525734 0.150325 0.362361 N\n0.974266 0.150325 0.862361 N\n0.525734 0.349675 0.862361 N\n0.974266 0.349675 0.362361 N\n0.150325 0.525734 0.862361 N\n0.349675 0.525734 0.362361 N\n0.150325 0.974266 0.362361 N\n0.349675 0.974266 0.862361 N\n0.474266 0.849675 0.637639 N\n0.025734 0.849675 0.137639 N\n0.474266 0.650325 0.137639 N\n0.025734 0.650325 0.637639 N\n0.849675 0.474266 0.137639 N\n0.650325 0.474266 0.637639 N\n0.849675 0.025734 0.637639 N\n0.650325 0.025734 0.137639 N\n0.750000 0.750000 0.326035 N\n0.750000 0.750000 0.826035 N\n0.250000 0.250000 0.673965 N\n0.250000 0.250000 0.173965 N\n0.670061 0.412671 0.369091 F\n0.829939 0.412671 0.869091 F\n0.670061 0.087329 0.869091 F\n0.829939 0.087329 0.369091 F\n0.412671 0.670061 0.869091 F\n0.087329 0.670061 0.369091 F\n0.412671 0.829939 0.369091 F\n0.087329 0.829939 0.869091 F\n0.329939 0.587329 0.630909 F\n0.170061 0.587329 0.130909 F\n0.329939 0.912671 0.130909 F\n0.170061 0.912671 0.630909 F\n0.587329 0.329939 0.130909 F\n0.912671 0.329939 0.630909 F\n0.587329 0.170061 0.630909 F\n0.912671 0.170061 0.130909 F\n",
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"density": 1.9458925377715117,
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"formula_full": "Ce4 H48 N20 F16",
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{
"id": "mp-1211049",
"created_at": "2022-09-04T14:42:24.094393Z",
"structure_string": "Na8 Cr8 H8 O28\n1.0\n10.510192 0.000000 0.000000\n0.000000 6.341794 0.000000\n0.000000 0.253309 13.520701\nNa Cr H O\n8 8 8 28\ndirect\n0.838141 0.351984 0.230326 Na\n0.338141 0.648016 0.769674 Na\n0.322102 0.321522 0.011319 Na\n0.822102 0.678478 0.988681 Na\n0.339400 0.931733 0.234510 Na\n0.839400 0.068267 0.765490 Na\n0.878713 0.832726 0.471815 Na\n0.378713 0.167274 0.528185 Na\n0.507421 0.436447 0.332847 Cr\n0.007421 0.563553 0.667153 Cr\n0.493069 0.847213 0.005422 Cr\n0.993069 0.152787 0.994578 Cr\n0.994062 0.856471 0.191370 Cr\n0.494062 0.143529 0.808630 Cr\n0.552399 0.661137 0.542163 Cr\n0.052399 0.338863 0.457837 Cr\n0.715297 0.972406 0.313531 H\n0.215297 0.027594 0.686469 H\n0.723160 0.675378 0.797191 H\n0.223160 0.324622 0.202809 H\n0.234678 0.844453 0.427818 H\n0.734678 0.155547 0.572182 H\n0.682816 0.334161 0.065963 H\n0.182816 0.665839 0.934037 H\n0.901911 0.668446 0.150060 O\n0.401911 0.331554 0.849940 O\n0.412979 0.614615 0.285442 O\n0.912979 0.385385 0.714558 O\n0.653848 0.479945 0.296273 O\n0.153848 0.520055 0.703727 O\n0.959318 0.098929 0.123223 O\n0.459318 0.901071 0.876777 O\n0.644462 0.876697 0.024417 O\n0.144462 0.123303 0.975583 O\n0.984363 0.376284 0.350428 O\n0.484363 0.623716 0.649572 O\n0.508225 0.883678 0.490487 O\n0.008225 0.116322 0.509513 O\n0.960298 0.799997 0.697018 O\n0.460298 0.200003 0.302982 O\n0.002388 0.552428 0.534685 O\n0.502388 0.447572 0.465315 O\n0.142569 0.797316 0.174332 O\n0.642569 0.202684 0.825668 O\n0.966054 0.895994 0.307596 O\n0.466054 0.104006 0.692404 O\n0.706927 0.659102 0.552547 O\n0.206927 0.340898 0.447453 O\n0.913244 0.986492 0.926535 O\n0.413244 0.013508 0.073465 O\n0.451157 0.605631 0.031465 O\n0.951157 0.394369 0.968535 O\n",
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{
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"structure_string": "K1 Mg14 Ga1\n1.0\n6.460507 -0.027373 0.000000\n-3.253960 5.636023 0.000000\n0.000000 0.000000 10.552999\nK Mg Ga\n1 14 1\ndirect\n0.164577 0.332288 0.125000 K\n0.168397 0.334198 0.625000 Mg\n0.165881 0.832940 0.625000 Mg\n0.660903 0.323646 0.125000 Mg\n0.666681 0.335489 0.625000 Mg\n0.660903 0.837255 0.125000 Mg\n0.666681 0.831191 0.625000 Mg\n0.333982 0.158284 0.382995 Mg\n0.333982 0.158284 0.867005 Mg\n0.333982 0.675699 0.382995 Mg\n0.333982 0.675699 0.867005 Mg\n0.823285 0.161643 0.388120 Mg\n0.823285 0.161643 0.861880 Mg\n0.836348 0.668175 0.366258 Mg\n0.836348 0.668175 0.883742 Mg\n0.190782 0.845391 0.125000 Ga\n",
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{
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"structure_string": "Li16 Ti4 S16\n1.0\n6.199968 0.000000 0.000000\n0.000000 7.845463 0.000000\n0.000000 0.000000 14.311283\nLi Ti S\n16 4 16\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.868736 0.250000 0.087199 Li\n0.304291 0.499857 0.177795 Li\n0.304291 0.000143 0.177795 Li\n0.804291 0.999857 0.322205 Li\n0.804291 0.500143 0.322205 Li\n0.368736 0.750000 0.412801 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.631264 0.250000 0.587199 Li\n0.195709 0.499857 0.677795 Li\n0.195709 0.000143 0.677795 Li\n0.695709 0.999857 0.822205 Li\n0.695709 0.500143 0.822205 Li\n0.131264 0.750000 0.912801 Li\n0.847886 0.750000 0.088506 Ti\n0.347886 0.250000 0.411494 Ti\n0.652114 0.750000 0.588506 Ti\n0.152114 0.250000 0.911494 Ti\n0.264184 0.250000 0.063705 S\n0.213669 0.750000 0.082459 S\n0.717397 0.509256 0.156824 S\n0.717397 0.990744 0.156824 S\n0.217397 0.009256 0.343176 S\n0.217397 0.490744 0.343176 S\n0.713669 0.250000 0.417541 S\n0.764184 0.750000 0.436295 S\n0.235816 0.250000 0.563705 S\n0.286331 0.750000 0.582459 S\n0.782603 0.509256 0.656824 S\n0.782603 0.990744 0.656824 S\n0.282603 0.009256 0.843176 S\n0.282603 0.490744 0.843176 S\n0.786331 0.250000 0.917541 S\n0.735816 0.750000 0.936295 S\n",
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{
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"created_at": "2022-09-04T14:45:07.632585Z",
"structure_string": "Li4 S2 O10\n1.0\n4.937333 0.000000 0.000000\n0.000000 5.507050 0.000000\n0.000000 2.381798 7.907886\nLi S O\n4 2 10\ndirect\n0.502619 0.304109 0.006565 Li\n0.002619 0.695891 0.993435 Li\n0.510713 0.549453 0.605492 Li\n0.010713 0.450547 0.394508 Li\n0.999220 0.293465 0.791160 S\n0.499220 0.706535 0.208840 S\n0.931653 0.021411 0.828129 O\n0.431653 0.978589 0.171871 O\n0.888673 0.434466 0.621454 O\n0.388673 0.565534 0.378546 O\n0.874928 0.399451 0.921399 O\n0.374928 0.600549 0.078601 O\n0.297971 0.331924 0.790939 O\n0.797971 0.668076 0.209061 O\n0.532023 0.922282 0.604499 O\n0.032023 0.077718 0.395501 O\n",
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{
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