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{
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"results": [
{
"id": "mp-1245216",
"created_at": "2022-09-04T14:39:19.392071Z",
"structure_string": "Zn50 S50\n1.0\n11.860548 -0.095675 -0.412960\n-0.038202 13.708630 -0.121844\n-0.506687 -0.144852 14.083961\nZn S\n50 50\ndirect\n0.306597 0.801444 0.142419 Zn\n0.054352 0.942677 0.949441 Zn\n0.537823 0.011766 0.812780 Zn\n0.180484 0.255398 0.274662 Zn\n0.022213 0.729323 0.254308 Zn\n0.381251 0.413528 0.428707 Zn\n0.136049 0.213698 0.707860 Zn\n0.874934 0.835460 0.938900 Zn\n0.910963 0.560649 0.783587 Zn\n0.111863 0.296679 0.536352 Zn\n0.581675 0.141212 0.584067 Zn\n0.978899 0.977594 0.593198 Zn\n0.258770 0.333469 0.811148 Zn\n0.199428 0.538906 0.554123 Zn\n0.893364 0.503263 0.479494 Zn\n0.599819 0.223413 0.410538 Zn\n0.223162 0.150985 0.084383 Zn\n0.847732 0.090847 0.677985 Zn\n0.343257 0.906529 0.896744 Zn\n0.186017 0.364713 0.122089 Zn\n0.124283 0.715192 0.869517 Zn\n0.612241 0.903958 0.401031 Zn\n0.858899 0.334106 0.646692 Zn\n0.766156 0.028301 0.358926 Zn\n0.166726 0.123914 0.554269 Zn\n0.729974 0.023002 0.533240 Zn\n0.749564 0.845316 0.204453 Zn\n0.601765 0.742692 0.823154 Zn\n0.316903 0.963929 0.636187 Zn\n0.514155 0.086685 0.179755 Zn\n0.661417 0.478824 0.953539 Zn\n0.734340 0.580398 0.648426 Zn\n0.387215 0.210061 0.982409 Zn\n0.864742 0.019591 0.962191 Zn\n0.390196 0.057498 0.413962 Zn\n0.177360 0.207785 0.912239 Zn\n0.902739 0.427056 0.187208 Zn\n0.360926 0.602877 0.945067 Zn\n0.116354 0.508995 0.709029 Zn\n0.757440 0.734413 0.428972 Zn\n0.015447 0.394440 0.822192 Zn\n0.609878 0.457542 0.390478 Zn\n0.377552 0.307874 0.196592 Zn\n0.853593 0.652360 0.057909 Zn\n0.988389 0.126993 0.215888 Zn\n0.599717 0.397139 0.171121 Zn\n0.520910 0.785181 0.608511 Zn\n0.525496 0.860711 0.042200 Zn\n0.264227 0.621034 0.322066 Zn\n0.939596 0.661825 0.642140 Zn\n0.370239 0.109957 0.564421 S\n0.356804 0.837682 0.523552 S\n0.713875 0.015839 0.187245 S\n0.951832 0.750290 0.408382 S\n0.251941 0.607295 0.811224 S\n0.199537 0.354870 0.405014 S\n0.829046 0.091027 0.109603 S\n0.431125 0.705669 0.060295 S\n0.681381 0.789879 0.962575 S\n0.944695 0.231141 0.753888 S\n0.780722 0.439464 0.839571 S\n0.753057 0.380762 0.289799 S\n0.473647 0.017813 0.961810 S\n0.188177 0.530001 0.182115 S\n0.090115 0.768618 0.710552 S\n0.745145 0.231714 0.309173 S\n0.548599 0.351866 0.505152 S\n0.010822 0.295511 0.165549 S\n0.685882 0.848398 0.554034 S\n0.059445 0.016421 0.446902 S\n0.940796 0.113815 0.378250 S\n0.677717 0.193065 0.833056 S\n0.208804 0.773768 0.274388 S\n0.047785 0.106575 0.973254 S\n0.703162 0.412813 0.701383 S\n0.410328 0.894433 0.396072 S\n0.446032 0.168452 0.311936 S\n0.923044 0.345812 0.502746 S\n0.565360 0.647189 0.697934 S\n0.464078 0.463493 0.265933 S\n0.530576 0.243341 0.102519 S\n0.932077 0.833125 0.674874 S\n0.746979 0.052419 0.823835 S\n0.639407 0.768389 0.299251 S\n0.348064 0.578855 0.465734 S\n0.446748 0.341765 0.868922 S\n0.750083 0.515032 0.098001 S\n0.149379 0.378706 0.950729 S\n0.179329 0.090448 0.227540 S\n0.905155 0.800361 0.134474 S\n0.020187 0.633141 0.492691 S\n0.200097 0.840446 0.973716 S\n0.435193 0.875367 0.756477 S\n0.451957 0.925159 0.178536 S\n0.718969 0.576113 0.478087 S\n0.148300 0.026087 0.697954 S\n0.018054 0.567099 0.184257 S\n0.941025 0.672500 0.913741 S\n0.472356 0.457587 0.968655 S\n0.533061 0.168259 0.743300 S\n",
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"elements": [
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"S"
],
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"density": 3.538992931536629,
"density_atomic": 0.04372922746521883,
"volume": 2286.800060200871,
"volume_molar": 13.77143185250612,
"formula_full": "Zn50 S50",
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"energy": -329.37440096999995,
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"spacegroup": 1
},
{
"id": "mp-1033199",
"created_at": "2022-09-04T14:39:22.597037Z",
"structure_string": "Mg6 B1 Sb1 O8\n1.0\n8.946776 0.000000 0.000000\n0.000000 4.382997 0.000000\n0.000000 0.000000 4.382997\nMg B Sb O\n6 1 1 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.261772 0.000000 0.500000 Mg\n0.738228 0.000000 0.500000 Mg\n0.261772 0.500000 0.000000 Mg\n0.738228 0.500000 -0.000000 Mg\n-0.000000 0.000000 -0.000000 B\n-0.000000 0.500000 0.500000 Sb\n0.270021 0.000000 -0.000000 O\n0.729979 0.000000 0.000000 O\n0.264030 0.500000 0.500000 O\n0.735970 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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"elements": [
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],
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"density": 3.926357363397923,
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"volume": 171.87349600642924,
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"formula_full": "Mg6 B1 Sb1 O8",
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"formula_anonymous": "ABC6D8",
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{
"id": "mp-571341",
"created_at": "2022-09-04T14:39:09.751100Z",
"structure_string": "In4 Hg24 As16 Cl28\n1.0\n12.441442 0.000000 0.000000\n0.000000 12.441442 0.000000\n0.000000 0.000000 12.441442\nIn Hg As Cl\n4 24 16 28\ndirect\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.698706 0.953616 0.313438 Hg\n0.198706 0.546384 0.686562 Hg\n0.813438 0.698706 0.546384 Hg\n0.546384 0.813438 0.698706 Hg\n0.698706 0.546384 0.813438 Hg\n0.453616 0.313438 0.801294 Hg\n0.546384 0.686562 0.198706 Hg\n0.686562 0.198706 0.546384 Hg\n0.046384 0.813438 0.801294 Hg\n0.301294 0.453616 0.186562 Hg\n0.801294 0.453616 0.313438 Hg\n0.301294 0.046384 0.686562 Hg\n0.953616 0.313438 0.698706 Hg\n0.186562 0.198706 0.953616 Hg\n0.813438 0.801294 0.046384 Hg\n0.046384 0.686562 0.301294 Hg\n0.313438 0.698706 0.953616 Hg\n0.186562 0.301294 0.453616 Hg\n0.801294 0.046384 0.813438 Hg\n0.453616 0.186562 0.301294 Hg\n0.198706 0.953616 0.186562 Hg\n0.686562 0.301294 0.046384 Hg\n0.313438 0.801294 0.453616 Hg\n0.953616 0.186562 0.198706 Hg\n0.733600 0.733600 0.733600 As\n0.651093 0.151093 0.348907 As\n0.266400 0.266400 0.266400 As\n0.766400 0.233600 0.733600 As\n0.848907 0.848907 0.848907 As\n0.348907 0.651093 0.151093 As\n0.233600 0.766400 0.266400 As\n0.151093 0.348907 0.651093 As\n0.233600 0.733600 0.766400 As\n0.266400 0.233600 0.766400 As\n0.766400 0.266400 0.233600 As\n0.848907 0.651093 0.348907 As\n0.151093 0.151093 0.151093 As\n0.651093 0.348907 0.848907 As\n0.733600 0.766400 0.233600 As\n0.348907 0.848907 0.651093 As\n0.303618 0.540132 0.453583 Cl\n0.040132 0.453583 0.196382 Cl\n0.696382 0.040132 0.046417 Cl\n0.500000 0.000000 0.500000 Cl\n0.459868 0.953583 0.196382 Cl\n0.196382 0.459868 0.953583 Cl\n0.453583 0.196382 0.040132 Cl\n0.000000 0.000000 0.000000 Cl\n0.959868 0.953583 0.303618 Cl\n0.453583 0.303618 0.540132 Cl\n0.803618 0.540132 0.046417 Cl\n0.046417 0.696382 0.040132 Cl\n0.546417 0.696382 0.459868 Cl\n0.953583 0.303618 0.959868 Cl\n0.696382 0.459868 0.546417 Cl\n0.803618 0.959868 0.546417 Cl\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.540132 0.046417 0.803618 Cl\n0.303618 0.959868 0.953583 Cl\n0.040132 0.046417 0.696382 Cl\n0.953583 0.196382 0.459868 Cl\n0.196382 0.040132 0.453583 Cl\n0.540132 0.453583 0.303618 Cl\n0.046417 0.803618 0.540132 Cl\n0.546417 0.803618 0.959868 Cl\n0.959868 0.546417 0.803618 Cl\n0.459868 0.546417 0.696382 Cl\n",
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"elements": [
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"As",
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],
"chemical_system": "As-Cl-Hg-In",
"density": 6.436632293467907,
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"volume": 1925.804325678463,
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"formula_full": "In4 Hg24 As16 Cl28",
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"spacegroup": 205
},
{
"id": "mp-850195",
"created_at": "2022-09-04T14:39:10.974211Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n7.833638 -0.000050 0.000009\n-0.000050 7.834296 -0.000050\n0.000012 -0.000064 10.241837\nLi Mn P O\n8 4 8 28\ndirect\n0.226254 0.726247 0.273282 Li\n0.226280 0.726270 0.773292 Li\n0.273734 0.226258 0.226705 Li\n0.273739 0.226270 0.726701 Li\n0.726274 0.773738 0.226704 Li\n0.726267 0.773728 0.726702 Li\n0.773736 0.273728 0.273289 Li\n0.773746 0.273747 0.773285 Li\n0.999981 0.000031 0.500053 Mn\n0.499938 0.499999 0.000027 Mn\n0.999980 0.000003 0.999992 Mn\n0.499959 0.500046 0.500072 Mn\n0.140619 0.359386 0.444191 P\n0.140624 0.359382 0.944200 P\n0.359380 0.859395 0.055802 P\n0.359380 0.859385 0.555784 P\n0.640619 0.140608 0.055796 P\n0.640618 0.140619 0.555790 P\n0.859385 0.640611 0.444191 P\n0.859376 0.640614 0.944200 P\n0.000006 0.499995 0.402586 O\n0.000005 0.499998 0.902590 O\n0.500013 0.000004 0.097407 O\n0.499995 0.999984 0.597403 O\n0.156366 0.343645 0.090264 O\n0.156350 0.343648 0.590269 O\n0.343660 0.843641 0.409720 O\n0.343649 0.843653 0.909728 O\n0.656362 0.156354 0.409729 O\n0.656357 0.156345 0.909723 O\n0.843653 0.656355 0.090265 O\n0.843651 0.656337 0.590269 O\n0.078278 0.195871 0.373809 O\n0.078272 0.195862 0.873822 O\n0.195846 0.921738 0.126176 O\n0.195840 0.921731 0.626154 O\n0.304158 0.421732 0.373813 O\n0.304173 0.421733 0.873843 O\n0.421722 0.695886 0.126196 O\n0.421735 0.695864 0.626174 O\n0.578280 0.304109 0.126193 O\n0.578267 0.304140 0.626166 O\n0.695858 0.578258 0.373814 O\n0.695819 0.578254 0.873849 O\n0.804154 0.078263 0.126178 O\n0.804159 0.078269 0.626162 O\n0.921735 0.804139 0.373817 O\n0.921745 0.804124 0.873823 O\n",
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"formula_full": "Li8 Mn4 P8 O28",
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{
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{
"id": "mp-754122",
"created_at": "2022-09-04T14:39:27.127024Z",
"structure_string": "Li2 Ni2 P2 O8\n1.0\n2.422242 -4.195364 0.000030\n4.843994 -0.000135 -0.000024\n2.421878 1.398286 7.842710\nLi Ni P O\n2 2 2 8\ndirect\n0.005017 0.989974 0.015063 Li\n0.570528 0.858922 0.711682 Li\n0.126244 0.747435 0.379115 Ni\n0.449355 0.101409 0.347525 Ni\n0.862683 0.274673 0.588052 P\n0.712799 0.574359 0.138433 P\n0.926380 0.147207 0.779033 O\n0.649219 0.701587 0.947455 O\n0.542624 0.636445 0.519814 O\n0.754505 0.826282 0.206587 O\n0.820894 0.022942 0.519771 O\n0.032903 0.212597 0.206653 O\n0.419245 0.547876 0.206645 O\n0.156137 0.301233 0.519762 O\n",
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{
"id": "mp-1031286",
"created_at": "2022-09-04T14:39:08.761044Z",
"structure_string": "K1 Rb1 Mg6 O7\n1.0\n8.022175 0.000000 0.000000\n0.000000 4.929044 0.000000\n0.000000 0.000000 4.929044\nK Rb Mg O\n1 1 6 7\ndirect\n0.021504 -0.000000 0.000000 K\n0.442246 -0.000000 0.000000 Rb\n0.001913 0.500000 0.500000 Mg\n0.508331 0.500000 0.500000 Mg\n0.253551 0.000000 0.500000 Mg\n0.750218 -0.000000 0.500000 Mg\n0.253551 0.500000 -0.000000 Mg\n0.750218 0.500000 0.000000 Mg\n0.738231 -0.000000 0.000000 O\n0.255349 0.500000 0.500000 O\n0.755118 0.500000 0.500000 O\n0.014696 0.000000 0.500000 O\n0.495189 0.000000 0.500000 O\n0.014696 0.500000 0.000000 O\n0.495189 0.500000 0.000000 O\n",
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