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{
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{
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"structure_string": "Tm2 Cr2 O8\n1.0\n-3.559339 3.559339 3.116613\n3.559339 -3.559339 3.116613\n3.559339 3.559339 -3.116613\nTm Cr O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Tm\n0.750000 0.250000 0.500000 Tm\n0.250000 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.822899 0.008673 0.185774 O\n0.887124 0.572899 0.314226 O\n0.258673 0.572899 0.685774 O\n0.822899 0.637124 0.814226 O\n0.362876 0.177101 0.185774 O\n0.427101 0.741327 0.314226 O\n0.427101 0.112876 0.685774 O\n0.991327 0.177101 0.814226 O\n",
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{
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},
{
"id": "mp-1205082",
"created_at": "2022-09-04T14:41:53.154994Z",
"structure_string": "Sm4 H24 C8 S4 N4 O36\n1.0\n8.803786 0.000000 0.000000\n0.000000 6.672182 0.000000\n0.000000 5.856168 14.100182\nSm H C S N O\n4 24 8 4 4 36\ndirect\n0.736765 0.338235 0.408826 Sm\n0.763235 0.338235 0.908826 Sm\n0.263235 0.661765 0.591174 Sm\n0.236765 0.661765 0.091174 Sm\n0.795793 0.921210 0.169234 H\n0.704207 0.921210 0.669234 H\n0.204207 0.078790 0.830766 H\n0.295793 0.078790 0.330766 H\n0.825527 0.992760 0.264244 H\n0.674473 0.992760 0.764244 H\n0.174473 0.007240 0.735756 H\n0.325527 0.007240 0.235756 H\n0.960424 0.029558 0.182942 H\n0.539576 0.029558 0.682942 H\n0.039576 0.970442 0.817058 H\n0.460424 0.970442 0.317058 H\n0.975986 0.290787 0.568170 H\n0.524014 0.290787 0.068170 H\n0.024014 0.709213 0.431830 H\n0.475986 0.709213 0.931830 H\n0.973553 0.055417 0.570076 H\n0.526447 0.055417 0.070076 H\n0.026447 0.944583 0.429924 H\n0.473553 0.944583 0.929924 H\n0.805313 0.187376 0.156676 H\n0.694687 0.187376 0.656676 H\n0.194687 0.812624 0.843324 H\n0.305313 0.812624 0.343324 H\n0.030047 0.584646 0.278905 C\n0.469953 0.584646 0.778905 C\n0.969953 0.415354 0.721095 C\n0.530047 0.415354 0.221095 C\n0.026164 0.363067 0.269056 C\n0.473836 0.363067 0.769056 C\n0.973836 0.636933 0.730944 C\n0.526164 0.636933 0.230944 C\n0.665926 0.740703 0.522718 S\n0.834074 0.740703 0.022718 S\n0.334074 0.259297 0.477282 S\n0.165926 0.259297 0.977282 S\n0.845096 0.032817 0.193315 N\n0.654904 0.032817 0.693315 N\n0.154904 0.967183 0.806685 N\n0.345096 0.967183 0.306685 N\n0.734554 0.567118 0.496461 O\n0.765446 0.567118 0.996461 O\n0.265446 0.432882 0.503539 O\n0.234554 0.432882 0.003539 O\n0.730323 0.953787 0.459402 O\n0.769677 0.953787 0.959402 O\n0.269677 0.046213 0.540598 O\n0.230323 0.046213 0.040598 O\n0.943727 0.605620 0.341657 O\n0.556273 0.605620 0.841657 O\n0.056273 0.394380 0.658343 O\n0.443727 0.394380 0.158343 O\n0.920683 0.195435 0.543106 O\n0.579317 0.195435 0.043106 O\n0.079317 0.804565 0.456894 O\n0.420683 0.804565 0.956894 O\n0.941857 0.218263 0.327279 O\n0.558143 0.218263 0.827279 O\n0.058143 0.781737 0.672721 O\n0.441857 0.781737 0.172721 O\n0.502509 0.255588 0.492033 O\n0.997491 0.255588 0.992033 O\n0.497491 0.744412 0.507967 O\n0.002509 0.744412 0.007967 O\n0.604652 0.656463 0.296617 O\n0.895348 0.656463 0.796617 O\n0.395348 0.343537 0.703383 O\n0.104652 0.343537 0.203383 O\n0.616518 0.270795 0.276725 O\n0.883482 0.270795 0.776725 O\n0.383482 0.729205 0.723275 O\n0.116518 0.729205 0.223275 O\n0.700035 0.698364 0.623015 O\n0.799965 0.698364 0.123015 O\n0.299965 0.301636 0.376985 O\n0.200035 0.301636 0.876985 O\n",
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"formula_full": "Sm4 H24 C8 S4 N4 O36",
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},
{
"id": "mp-28397",
"created_at": "2022-09-04T14:41:54.818423Z",
"structure_string": "Sr8 Bi12 Se26\n1.0\n4.274930 0.000000 0.000000\n0.000000 17.272048 0.000000\n0.000000 0.135740 18.732353\nSr Bi Se\n8 12 26\ndirect\n0.250000 0.511595 0.246289 Sr\n0.750000 0.488405 0.753711 Sr\n0.250000 0.770792 0.180021 Sr\n0.750000 0.229208 0.819979 Sr\n0.250000 0.986815 0.340333 Sr\n0.750000 0.013185 0.659667 Sr\n0.250000 0.242933 0.271019 Sr\n0.750000 0.757067 0.728981 Sr\n0.750000 0.170630 0.477905 Bi\n0.250000 0.829370 0.522095 Bi\n0.250000 0.326849 0.619853 Bi\n0.750000 0.673151 0.380147 Bi\n0.250000 0.583191 0.578239 Bi\n0.750000 0.416809 0.421761 Bi\n0.750000 0.812878 0.955576 Bi\n0.250000 0.187122 0.044424 Bi\n0.250000 0.010200 0.880316 Bi\n0.750000 0.989800 0.119684 Bi\n0.250000 0.606519 0.981157 Bi\n0.750000 0.393481 0.018843 Bi\n0.750000 0.383481 0.277345 Se\n0.250000 0.616519 0.722655 Se\n0.750000 0.123819 0.334823 Se\n0.250000 0.876181 0.665177 Se\n0.750000 0.930436 0.485353 Se\n0.250000 0.069564 0.514647 Se\n0.750000 0.264664 0.126025 Se\n0.250000 0.735336 0.873975 Se\n0.750000 0.894241 0.237528 Se\n0.250000 0.105759 0.762472 Se\n0.250000 0.894480 0.039282 Se\n0.750000 0.105520 0.960718 Se\n0.750000 0.642442 0.235885 Se\n0.250000 0.357558 0.764115 Se\n0.750000 0.920109 0.822401 Se\n0.250000 0.079891 0.177599 Se\n0.750000 0.695289 0.061298 Se\n0.250000 0.304711 0.938702 Se\n0.750000 0.521206 0.912857 Se\n0.250000 0.478794 0.087143 Se\n0.250000 0.301590 0.444339 Se\n0.750000 0.698410 0.555661 Se\n0.250000 0.540150 0.410128 Se\n0.750000 0.459850 0.589872 Se\n0.250000 0.780217 0.361206 Se\n0.750000 0.219783 0.638794 Se\n",
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"formula_full": "Sr8 Bi12 Se26",
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},
{
"id": "mp-560637",
"created_at": "2022-09-04T14:41:54.823143Z",
"structure_string": "Ga8 S40 N40 Cl32\n1.0\n9.936148 0.000000 0.000000\n0.000000 14.389050 0.000000\n0.000000 0.000000 21.454158\nGa S N Cl\n8 40 40 32\ndirect\n0.534105 0.250000 0.618912 Ga\n0.445802 0.250000 0.129764 Ga\n0.554198 0.750000 0.870236 Ga\n0.465895 0.750000 0.381088 Ga\n0.945802 0.250000 0.370236 Ga\n0.965895 0.750000 0.118912 Ga\n0.034105 0.250000 0.881088 Ga\n0.054198 0.750000 0.629764 Ga\n0.927209 0.392633 0.546587 S\n0.300768 0.008382 0.479492 S\n0.981544 0.601795 0.322019 S\n0.295788 0.530452 0.771948 S\n0.089010 0.604504 0.868824 S\n0.704212 0.469548 0.228052 S\n0.199232 0.991618 0.979492 S\n0.981544 0.898205 0.322019 S\n0.589010 0.604504 0.631176 S\n0.481544 0.898205 0.177981 S\n0.572791 0.892633 0.046587 S\n0.018456 0.398205 0.677981 S\n0.427209 0.392633 0.953413 S\n0.300768 0.491618 0.479492 S\n0.589010 0.895496 0.631176 S\n0.795788 0.969548 0.728052 S\n0.204212 0.469548 0.271948 S\n0.072791 0.607367 0.453413 S\n0.800768 0.491618 0.020508 S\n0.199232 0.508382 0.979492 S\n0.072791 0.892633 0.453413 S\n0.910990 0.104504 0.131176 S\n0.481544 0.601795 0.177981 S\n0.295788 0.969548 0.771948 S\n0.795788 0.530452 0.728052 S\n0.518456 0.398205 0.822019 S\n0.927209 0.107367 0.546587 S\n0.699232 0.508382 0.520508 S\n0.800768 0.008382 0.020508 S\n0.572791 0.607367 0.046587 S\n0.410990 0.104504 0.368824 S\n0.089010 0.895496 0.868824 S\n0.204212 0.030452 0.271948 S\n0.699232 0.991618 0.520508 S\n0.410990 0.395496 0.368824 S\n0.910990 0.395496 0.131176 S\n0.518456 0.101795 0.822019 S\n0.018456 0.101795 0.677981 S\n0.427209 0.107367 0.953413 S\n0.704212 0.030452 0.228052 S\n0.687894 0.567238 0.681649 N\n0.313653 0.466242 0.936059 N\n0.812106 0.432762 0.181649 N\n0.485929 0.872488 0.106336 N\n0.812106 0.067238 0.181649 N\n0.606614 0.572889 0.561030 N\n0.410925 0.465457 0.794626 N\n0.187894 0.567238 0.818351 N\n0.187894 0.932762 0.818351 N\n0.393386 0.072889 0.438970 N\n0.186347 0.966242 0.436059 N\n0.014071 0.372488 0.606336 N\n0.813653 0.466242 0.563941 N\n0.910925 0.465457 0.705374 N\n0.687894 0.932762 0.681649 N\n0.089075 0.534543 0.294626 N\n0.985929 0.627512 0.393664 N\n0.106614 0.927111 0.938970 N\n0.014071 0.127512 0.606336 N\n0.893386 0.072889 0.061030 N\n0.312106 0.067238 0.318351 N\n0.686347 0.533758 0.063941 N\n0.589075 0.965457 0.205374 N\n0.985929 0.872488 0.393664 N\n0.514071 0.127512 0.893664 N\n0.485929 0.627512 0.106336 N\n0.589075 0.534543 0.205374 N\n0.106614 0.572889 0.938970 N\n0.312106 0.432762 0.318351 N\n0.089075 0.965457 0.294626 N\n0.606614 0.927111 0.561030 N\n0.893386 0.427111 0.061030 N\n0.410925 0.034543 0.794626 N\n0.813653 0.033758 0.563941 N\n0.910925 0.034543 0.705374 N\n0.514071 0.372488 0.893664 N\n0.313653 0.033758 0.936059 N\n0.393386 0.427111 0.438970 N\n0.186347 0.533758 0.436059 N\n0.686347 0.966242 0.063941 N\n0.127579 0.250000 0.974541 Cl\n0.589497 0.875984 0.369601 Cl\n0.121536 0.250000 0.433399 Cl\n0.627579 0.250000 0.525459 Cl\n0.589497 0.624016 0.369601 Cl\n0.983771 0.750000 0.727090 Cl\n0.325708 0.376762 0.111944 Cl\n0.372421 0.750000 0.474541 Cl\n0.674292 0.623238 0.888056 Cl\n0.197247 0.250000 0.810735 Cl\n0.302753 0.750000 0.310735 Cl\n0.802753 0.750000 0.189265 Cl\n0.878464 0.750000 0.566601 Cl\n0.516229 0.250000 0.227090 Cl\n0.089497 0.624016 0.130399 Cl\n0.825708 0.123238 0.388056 Cl\n0.674292 0.876762 0.888056 Cl\n0.174292 0.623238 0.611944 Cl\n0.483771 0.750000 0.772910 Cl\n0.872421 0.750000 0.025459 Cl\n0.174292 0.876762 0.611944 Cl\n0.089497 0.875984 0.130399 Cl\n0.325708 0.123238 0.111944 Cl\n0.697247 0.250000 0.689265 Cl\n0.016229 0.250000 0.272910 Cl\n0.825708 0.376762 0.388056 Cl\n0.621536 0.250000 0.066601 Cl\n0.910503 0.124016 0.869601 Cl\n0.410503 0.375984 0.630399 Cl\n0.410503 0.124016 0.630399 Cl\n0.910503 0.375984 0.869601 Cl\n0.378464 0.750000 0.933399 Cl\n",
"nsites": 120,
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"elements": [
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],
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"volume": 3067.338093093047,
"volume_molar": 15.393284795930263,
"formula_full": "Ga8 S40 N40 Cl32",
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