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{
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{
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{
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"structure_string": "Co4 N8 O24\n1.0\n7.541777 -0.009865 -0.017834\n-0.018846 7.547308 -0.021563\n-0.009053 -0.012705 7.534959\nCo N O\n4 8 24\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.336534 0.336577 0.336619 N\n0.841943 0.158846 0.651315 N\n0.158575 0.651164 0.842131 N\n0.651195 0.841942 0.158439 N\n0.158057 0.841154 0.348685 N\n0.663466 0.663423 0.663381 N\n0.348805 0.158058 0.841561 N\n0.841425 0.348836 0.157869 N\n0.983943 0.245837 0.628344 O\n0.016057 0.754163 0.371656 O\n0.628308 0.983874 0.245900 O\n0.245907 0.628257 0.984043 O\n0.333664 0.220496 0.456748 O\n0.456728 0.333739 0.220360 O\n0.220384 0.456666 0.333760 O\n0.666336 0.779504 0.543252 O\n0.543272 0.666261 0.779640 O\n0.779616 0.543334 0.666240 O\n0.716007 0.173402 0.540709 O\n0.540588 0.716110 0.173246 O\n0.173301 0.540809 0.715831 O\n0.283993 0.826598 0.459291 O\n0.459412 0.283890 0.826754 O\n0.826699 0.459191 0.284169 O\n0.173948 0.943931 0.217353 O\n0.217294 0.174340 0.943844 O\n0.944446 0.217859 0.173239 O\n0.826052 0.056069 0.782647 O\n0.782706 0.825660 0.056156 O\n0.055554 0.782141 0.826761 O\n0.371692 0.016126 0.754100 O\n0.754093 0.371743 0.015957 O\n",
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{
"id": "mp-1228745",
"created_at": "2022-09-04T14:40:17.659826Z",
"structure_string": "As4 Rh4 S4\n1.0\n5.851662 0.000000 0.000000\n0.000000 5.851662 0.000000\n0.000000 0.000000 5.851662\nAs Rh S\n4 4 4\ndirect\n0.116219 0.883781 0.383781 As\n0.883781 0.383781 0.116219 As\n0.383781 0.116219 0.883781 As\n0.616219 0.616219 0.616219 As\n0.496907 0.503093 0.003093 Rh\n0.503093 0.003093 0.496907 Rh\n0.003093 0.496907 0.503093 Rh\n0.996907 0.996907 0.996907 Rh\n0.886769 0.113231 0.613231 S\n0.113231 0.613231 0.886769 S\n0.613231 0.886769 0.113231 S\n0.386769 0.386769 0.386769 S\n",
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"formula_full": "As4 Rh4 S4",
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{
"id": "mp-755676",
"created_at": "2022-09-04T14:40:17.660233Z",
"structure_string": "Rb8 Fe8 O12\n1.0\n6.371259 0.000000 0.000000\n0.000000 8.231666 0.000000\n0.000000 0.000000 12.097193\nRb Fe O\n8 8 12\ndirect\n0.250000 0.877197 0.058446 Rb\n0.750000 0.503241 0.120772 Rb\n0.250000 0.003241 0.379228 Rb\n0.750000 0.377197 0.441554 Rb\n0.250000 0.622803 0.558446 Rb\n0.750000 0.996759 0.620772 Rb\n0.250000 0.496759 0.879228 Rb\n0.750000 0.122803 0.941554 Rb\n0.250000 0.280385 0.145302 Fe\n0.750000 0.098360 0.226835 Fe\n0.250000 0.598360 0.273165 Fe\n0.750000 0.780385 0.354698 Fe\n0.250000 0.219615 0.645302 Fe\n0.750000 0.401640 0.726835 Fe\n0.250000 0.901640 0.773165 Fe\n0.750000 0.719615 0.854698 Fe\n0.250000 0.513681 0.123832 O\n0.999353 0.151857 0.145975 O\n0.500647 0.151857 0.145975 O\n0.000647 0.651857 0.354025 O\n0.499353 0.651857 0.354025 O\n0.750000 0.013681 0.376168 O\n0.250000 0.986319 0.623832 O\n0.999353 0.348143 0.645975 O\n0.500647 0.348143 0.645975 O\n0.499353 0.848143 0.854025 O\n0.000647 0.848143 0.854025 O\n0.750000 0.486319 0.876168 O\n",
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{
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"structure_string": "Nd2 I2 O2\n1.0\n4.085007 0.000000 0.000000\n0.000000 4.085007 0.000000\n0.000000 0.000000 9.629549\nNd I O\n2 2 2\ndirect\n0.000000 0.500000 0.121217 Nd\n0.500000 0.000000 0.878783 Nd\n0.000000 0.500000 0.677156 I\n0.500000 0.000000 0.322844 I\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Sm4 I12 O36\n1.0\n8.733743 0.000000 0.000000\n0.000000 7.347408 0.000000\n0.000000 2.312801 13.506392\nSm I O\n4 12 36\ndirect\n0.743811 0.825623 0.144612 Sm\n0.756189 0.825623 0.644612 Sm\n0.243811 0.174377 0.355388 Sm\n0.256189 0.174377 0.855388 Sm\n0.297336 0.834340 0.608050 I\n0.049680 0.672368 0.854551 I\n0.702664 0.165660 0.391950 I\n0.202664 0.834340 0.108050 I\n0.023812 0.265024 0.609318 I\n0.523812 0.734976 0.890682 I\n0.976188 0.734976 0.390682 I\n0.450320 0.672368 0.354551 I\n0.950320 0.327632 0.145449 I\n0.797336 0.165660 0.891950 I\n0.476188 0.265024 0.109318 I\n0.549680 0.327632 0.645449 I\n0.180182 0.480108 0.855749 O\n0.207689 0.228279 0.675666 O\n0.308600 0.857106 0.322578 O\n0.525819 0.165340 0.320004 O\n0.974181 0.165340 0.820004 O\n0.528422 0.669510 0.230681 O\n0.792311 0.771721 0.324334 O\n0.415556 0.321432 0.980697 O\n0.191400 0.857106 0.822578 O\n0.707689 0.771721 0.824334 O\n0.808600 0.142894 0.177422 O\n0.973482 0.023158 0.610712 O\n0.680182 0.519892 0.644251 O\n0.319818 0.480108 0.355749 O\n0.474181 0.834660 0.679996 O\n0.292311 0.228279 0.175666 O\n0.026518 0.976842 0.389288 O\n0.165224 0.645409 0.040107 O\n0.971578 0.669510 0.730681 O\n0.473482 0.976842 0.889288 O\n0.333770 0.035235 0.512672 O\n0.028422 0.330490 0.269319 O\n0.471578 0.330490 0.769319 O\n0.584444 0.678568 0.019303 O\n0.833770 0.964765 0.987328 O\n0.834776 0.354591 0.959893 O\n0.526518 0.023158 0.110712 O\n0.915556 0.678568 0.519303 O\n0.691400 0.142894 0.677422 O\n0.334776 0.645409 0.540107 O\n0.665224 0.354591 0.459893 O\n0.084444 0.321432 0.480697 O\n0.666230 0.964765 0.487328 O\n0.819818 0.519892 0.144251 O\n0.166230 0.035235 0.012672 O\n0.025819 0.834660 0.179996 O\n",
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{
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"structure_string": "H32 C8 N4 Cl4\n1.0\n-3.671026 5.062684 7.329608\n3.671026 -5.062684 7.329608\n3.671026 5.062684 -7.329608\nH C N Cl\n32 8 4 4\ndirect\n0.355948 0.780586 0.424639 H\n0.644052 0.219414 0.575361 H\n0.144052 0.068691 0.924639 H\n0.855948 0.931309 0.075361 H\n0.280820 0.531463 0.250643 H\n0.719180 0.468537 0.749357 H\n0.219180 0.969823 0.750643 H\n0.780820 0.030177 0.249357 H\n0.570035 0.638582 0.485878 H\n0.847295 0.361418 0.931452 H\n0.929965 0.915843 0.568548 H\n0.652705 0.084157 0.014122 H\n0.429965 0.361418 0.514122 H\n0.152705 0.638582 0.068548 H\n0.070035 0.084157 0.431452 H\n0.347295 0.915843 0.985878 H\n0.510445 0.444407 0.190569 H\n0.746162 0.555593 0.066038 H\n0.989555 0.680124 0.433962 H\n0.753838 0.319876 0.309431 H\n0.489555 0.555593 0.809431 H\n0.253838 0.444407 0.933962 H\n0.010445 0.319876 0.566038 H\n0.246162 0.680124 0.690569 H\n0.587976 0.705976 0.361158 H\n0.655182 0.294024 0.882000 H\n0.912024 0.773182 0.618000 H\n0.844818 0.226818 0.138842 H\n0.412024 0.294024 0.638842 H\n0.344818 0.705976 0.118000 H\n0.087976 0.226818 0.382000 H\n0.155182 0.773182 0.861158 H\n0.516534 0.603108 0.333324 C\n0.730216 0.396892 0.913427 C\n0.983466 0.816790 0.586573 C\n0.769784 0.183210 0.166676 C\n0.483466 0.396892 0.666676 C\n0.269784 0.603108 0.086573 C\n0.016534 0.183210 0.413427 C\n0.230216 0.816790 0.833324 C\n0.351480 0.632429 0.280948 N\n0.648520 0.367571 0.719052 N\n0.148520 0.929468 0.780948 N\n0.851480 0.070532 0.219052 N\n0.355644 0.058840 0.703196 Cl\n0.644356 0.941160 0.296804 Cl\n0.144356 0.347551 0.203196 Cl\n0.855644 0.652449 0.796804 Cl\n",
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{
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"structure_string": "Ga2 Fe2 N4\n1.0\n5.326471 0.328735 -0.443278\n-2.122497 3.939039 0.000000\n-6.407947 -3.452833 4.655910\nGa Fe N\n2 2 4\ndirect\n0.000000 0.500000 0.250000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.750000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.980650 0.125000 N\n0.500000 0.019350 0.625000 N\n0.538701 0.519350 0.394350 N\n0.461299 0.480650 0.855650 N\n",
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}