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{
"id": "mp-673798",
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"structure_string": "K6 Cl2 O2\n1.0\n5.211862 -5.216767 0.000000\n5.211862 5.216767 0.000000\n0.000000 0.000000 5.275614\nK Cl O\n6 2 2\ndirect\n0.293758 0.706242 0.000000 K\n0.213952 0.197754 0.000000 K\n0.802246 0.786048 0.000000 K\n0.525011 0.977439 0.500000 K\n0.022561 0.474989 0.500000 K\n0.705680 0.294320 0.000000 K\n0.999046 0.000954 0.500000 Cl\n0.496933 0.503067 0.500000 Cl\n0.005548 0.492435 0.000000 O\n0.507565 0.994452 0.000000 O\n",
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{
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"structure_string": "K6 Cu2 C8 N8\n1.0\n6.383254 -4.949633 0.000000\n6.383254 4.949633 0.000000\n2.545264 0.000000 7.665927\nK Cu C N\n6 2 8 8\ndirect\n0.009103 0.500657 0.666618 K\n0.666618 0.009103 0.500657 K\n0.500657 0.666618 0.009103 K\n0.509103 0.166618 0.000657 K\n0.000657 0.509103 0.166618 K\n0.166618 0.000657 0.509103 K\n0.498704 0.498704 0.498704 Cu\n0.998704 0.998704 0.998704 Cu\n0.365070 0.508371 0.733719 C\n0.508371 0.733719 0.365070 C\n0.884233 0.884233 0.884233 C\n0.384233 0.384233 0.384233 C\n0.733719 0.365070 0.508371 C\n0.008371 0.865070 0.233719 C\n0.233719 0.008371 0.865070 C\n0.865070 0.233719 0.008371 C\n0.006842 0.781862 0.376885 N\n0.876885 0.281862 0.506842 N\n0.281862 0.506842 0.876885 N\n0.506842 0.876885 0.281862 N\n0.815136 0.815136 0.815136 N\n0.315136 0.315136 0.315136 N\n0.781862 0.376885 0.006842 N\n0.376885 0.006842 0.781862 N\n",
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{
"id": "mp-1014565",
"created_at": "2022-09-04T14:47:27.312102Z",
"structure_string": "Cr24 N48\n1.0\n7.958908 -11.175190 0.000000\n7.958908 11.175190 0.000000\n0.000000 0.000000 9.176786\nCr N\n24 48\ndirect\n0.773516 0.226484 0.436840 Cr\n0.226484 0.773516 0.563160 Cr\n0.773516 0.226484 0.063160 Cr\n0.226484 0.773516 0.936840 Cr\n0.622930 0.377070 0.436265 Cr\n0.377070 0.622930 0.563735 Cr\n0.622930 0.377070 0.063735 Cr\n0.377070 0.622930 0.936265 Cr\n0.382123 0.239721 0.562126 Cr\n0.239721 0.382123 0.437874 Cr\n0.382123 0.239721 0.937874 Cr\n0.239721 0.382123 0.062126 Cr\n0.617877 0.760279 0.437874 Cr\n0.760279 0.617877 0.562126 Cr\n0.617877 0.760279 0.062126 Cr\n0.760279 0.617877 0.937874 Cr\n0.617207 0.995268 0.562188 Cr\n0.995268 0.617207 0.437812 Cr\n0.617207 0.995268 0.937812 Cr\n0.995268 0.617207 0.062188 Cr\n0.382793 0.004732 0.437812 Cr\n0.004732 0.382793 0.562188 Cr\n0.382793 0.004732 0.062188 Cr\n0.004732 0.382793 0.937812 Cr\n0.780951 0.219049 0.250000 N\n0.219049 0.780951 0.750000 N\n0.614034 0.385966 0.250000 N\n0.385966 0.614034 0.750000 N\n0.381162 0.238574 0.750000 N\n0.238574 0.381162 0.250000 N\n0.618838 0.761426 0.250000 N\n0.761426 0.618838 0.750000 N\n0.613132 0.993353 0.750000 N\n0.993353 0.613132 0.250000 N\n0.386868 0.006647 0.250000 N\n0.006647 0.386868 0.750000 N\n0.698201 0.301799 0.476229 N\n0.301799 0.698201 0.523771 N\n0.698201 0.301799 0.023771 N\n0.301799 0.698201 0.976229 N\n0.500376 0.320384 0.504876 N\n0.320384 0.500376 0.495124 N\n0.500376 0.320384 0.995124 N\n0.320384 0.500376 0.004876 N\n0.499624 0.679616 0.495124 N\n0.679616 0.499624 0.504876 N\n0.499624 0.679616 0.004876 N\n0.679616 0.499624 0.995124 N\n0.287956 0.287956 0.500000 N\n0.287956 0.287956 0.000000 N\n0.712044 0.712044 0.500000 N\n0.712044 0.712044 0.000000 N\n0.363183 0.116297 0.498228 N\n0.116297 0.363183 0.501772 N\n0.363183 0.116297 0.001772 N\n0.116297 0.363183 0.998228 N\n0.636817 0.883703 0.501772 N\n0.883703 0.636817 0.498228 N\n0.636817 0.883703 0.998228 N\n0.883703 0.636817 0.001772 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.715213 0.103689 0.505393 N\n0.103689 0.715213 0.494607 N\n0.715213 0.103689 0.994607 N\n0.103689 0.715213 0.005393 N\n0.284787 0.896311 0.494607 N\n0.896311 0.284787 0.505393 N\n0.284787 0.896311 0.005393 N\n0.896311 0.284787 0.994607 N\n",
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"spacegroup": 63
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{
"id": "mp-758742",
"created_at": "2022-09-04T14:44:07.735520Z",
"structure_string": "K2 Y2 H16 N8\n1.0\n8.463453 3.679272 0.000000\n-8.463453 3.679272 0.000000\n0.000000 2.996536 5.244237\nK Y H N\n2 2 16 8\ndirect\n0.694651 0.305349 0.250000 K\n0.305349 0.694651 0.750000 K\n0.064728 0.935272 0.750000 Y\n0.935272 0.064728 0.250000 Y\n0.664900 0.619430 0.284889 H\n0.788579 0.501455 0.733109 H\n0.872700 0.705852 0.335412 H\n0.380570 0.335100 0.215111 H\n0.956667 0.348668 0.451597 H\n0.651332 0.043333 0.048403 H\n0.294148 0.127300 0.164588 H\n0.501455 0.788579 0.233109 H\n0.498545 0.211421 0.766891 H\n0.705852 0.872700 0.835412 H\n0.348668 0.956667 0.951597 H\n0.043333 0.651332 0.548403 H\n0.619430 0.664900 0.784889 H\n0.127300 0.294148 0.664588 H\n0.211421 0.498545 0.266891 H\n0.335100 0.380570 0.715111 H\n0.947162 0.621128 0.714041 N\n0.835620 0.746183 0.203553 N\n0.621128 0.947162 0.214041 N\n0.253817 0.164380 0.296447 N\n0.746183 0.835620 0.703553 N\n0.378872 0.052838 0.785959 N\n0.164380 0.253817 0.796447 N\n0.052838 0.378872 0.285959 N\n",
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{
"id": "mp-555282",
"created_at": "2022-09-04T14:40:29.793365Z",
"structure_string": "Ga8 S20 N20 Cl28\n1.0\n13.696741 0.000000 0.000000\n0.000000 8.812126 0.000000\n0.000000 7.392419 17.410791\nGa S N Cl\n8 20 20 28\ndirect\n0.316149 0.939319 0.138687 Ga\n0.745939 0.225928 0.017999 Ga\n0.183851 0.939319 0.638687 Ga\n0.816149 0.060681 0.361313 Ga\n0.254061 0.774072 0.982001 Ga\n0.754061 0.225928 0.517999 Ga\n0.245939 0.774072 0.482001 Ga\n0.683851 0.060681 0.861313 Ga\n0.995229 0.356357 0.129595 S\n0.062028 0.573799 0.317202 S\n0.613394 0.691459 0.232754 S\n0.113394 0.308541 0.267246 S\n0.886606 0.691459 0.732754 S\n0.083786 0.221937 0.800205 S\n0.562028 0.426201 0.182798 S\n0.855838 0.648454 0.076984 S\n0.916214 0.778063 0.199795 S\n0.495229 0.643643 0.370405 S\n0.416214 0.221937 0.300205 S\n0.583786 0.778063 0.699795 S\n0.144162 0.351546 0.923016 S\n0.004771 0.643643 0.870405 S\n0.504771 0.356357 0.629595 S\n0.437972 0.573799 0.817202 S\n0.386606 0.308541 0.767246 S\n0.355838 0.351546 0.423016 S\n0.644162 0.648454 0.576984 S\n0.937972 0.426201 0.682798 S\n0.614600 0.588777 0.180216 N\n0.129193 0.256121 0.869044 N\n0.007789 0.353844 0.753025 N\n0.114600 0.411223 0.319784 N\n0.414985 0.511965 0.413023 N\n0.629193 0.743879 0.630956 N\n0.085015 0.511965 0.913023 N\n0.385400 0.411223 0.819784 N\n0.459272 0.387917 0.698536 N\n0.959272 0.612083 0.801464 N\n0.040728 0.387917 0.198536 N\n0.914985 0.488035 0.086977 N\n0.370807 0.256121 0.369044 N\n0.492211 0.353844 0.253025 N\n0.507789 0.646156 0.746975 N\n0.885400 0.588777 0.680216 N\n0.585015 0.488035 0.586977 N\n0.870807 0.743879 0.130956 N\n0.540728 0.612083 0.301464 N\n0.992211 0.646156 0.246975 N\n0.175076 0.536644 0.534263 Cl\n0.824924 0.463356 0.465737 Cl\n0.891391 0.208903 0.975760 Cl\n0.694361 0.324214 0.794493 Cl\n0.652519 0.033302 0.987630 Cl\n0.263011 0.878292 0.857178 Cl\n0.675076 0.463356 0.965737 Cl\n0.817854 0.927458 0.862930 Cl\n0.947542 0.950171 0.336615 Cl\n0.391391 0.791097 0.524240 Cl\n0.317854 0.072542 0.637070 Cl\n0.052458 0.049829 0.663385 Cl\n0.236989 0.878292 0.357178 Cl\n0.763011 0.121708 0.642822 Cl\n0.847481 0.033302 0.487630 Cl\n0.347481 0.966698 0.012370 Cl\n0.182146 0.072542 0.137070 Cl\n0.305639 0.675786 0.205507 Cl\n0.108609 0.791097 0.024240 Cl\n0.736989 0.121708 0.142822 Cl\n0.805639 0.324214 0.294493 Cl\n0.682146 0.927458 0.362930 Cl\n0.552458 0.950171 0.836615 Cl\n0.194361 0.675786 0.705507 Cl\n0.447542 0.049829 0.163385 Cl\n0.608609 0.208903 0.475760 Cl\n0.152519 0.966698 0.512370 Cl\n0.324924 0.536644 0.034263 Cl\n",
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"formula_full": "Ga8 S20 N20 Cl28",
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{
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"structure_string": "H24 S8 N8 O24\n1.0\n8.267399 0.000000 0.000000\n0.000000 8.356550 0.000000\n0.000000 0.000000 9.558175\nH S N O\n24 8 8 24\ndirect\n0.986264 0.376448 0.409379 H\n0.986264 0.123552 0.909379 H\n0.086327 0.725955 0.387289 H\n0.086327 0.774045 0.887289 H\n0.074460 0.314233 0.037077 H\n0.074460 0.185767 0.537077 H\n0.425540 0.814233 0.037077 H\n0.425540 0.685767 0.537077 H\n0.413673 0.225955 0.387289 H\n0.413673 0.274045 0.887289 H\n0.513736 0.876448 0.409379 H\n0.513736 0.623552 0.909379 H\n0.486264 0.123552 0.590621 H\n0.486264 0.376448 0.090621 H\n0.586327 0.725955 0.112711 H\n0.586327 0.774045 0.612711 H\n0.574460 0.314233 0.462923 H\n0.574460 0.185767 0.962923 H\n0.925540 0.814233 0.462923 H\n0.925540 0.685767 0.962923 H\n0.913673 0.225955 0.112711 H\n0.913673 0.274045 0.612711 H\n0.013736 0.623552 0.590621 H\n0.013736 0.876448 0.090621 H\n0.144706 0.090988 0.155406 S\n0.144706 0.409012 0.655406 S\n0.355294 0.590988 0.155406 S\n0.355294 0.909012 0.655406 S\n0.644706 0.090988 0.344594 S\n0.644706 0.409012 0.844594 S\n0.855294 0.590988 0.344594 S\n0.855294 0.909012 0.844594 S\n0.019237 0.206198 0.057626 N\n0.019237 0.293802 0.557626 N\n0.480763 0.706198 0.057626 N\n0.480763 0.793802 0.557626 N\n0.519237 0.206198 0.442374 N\n0.519237 0.293802 0.942374 N\n0.980763 0.706198 0.442374 N\n0.980763 0.793802 0.942374 N\n0.034354 0.944711 0.182774 O\n0.034354 0.555289 0.682774 O\n0.222131 0.550384 0.064416 O\n0.222131 0.949616 0.564416 O\n0.178727 0.165256 0.287933 O\n0.178727 0.334744 0.787933 O\n0.321273 0.665256 0.287933 O\n0.321273 0.834744 0.787933 O\n0.277869 0.050384 0.064416 O\n0.277869 0.449616 0.564416 O\n0.465646 0.055289 0.682774 O\n0.465646 0.444711 0.182774 O\n0.534354 0.555289 0.817226 O\n0.534354 0.944711 0.317226 O\n0.722131 0.550384 0.435584 O\n0.722131 0.949616 0.935584 O\n0.678727 0.165256 0.212067 O\n0.678727 0.334744 0.712067 O\n0.821273 0.665256 0.212067 O\n0.821273 0.834744 0.712067 O\n0.777869 0.050384 0.435584 O\n0.777869 0.449616 0.935584 O\n0.965646 0.444711 0.317226 O\n0.965646 0.055289 0.817226 O\n",
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{
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