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{
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"results": [
{
"id": "mp-1193000",
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"structure_string": "Ni1 C4 S4 N2 O12\n1.0\n9.839377 -0.299748 1.130949\n3.103454 6.935435 2.669378\n-0.215170 0.553321 7.550313\nNi C S N O\n1 4 4 2 12\ndirect\n0.500000 0.000000 0.500000 Ni\n0.106419 0.372702 0.858319 C\n0.893581 0.627298 0.141681 C\n0.901472 0.142727 0.786202 C\n0.098528 0.857273 0.213798 C\n0.317337 0.580762 0.720656 S\n0.682663 0.419238 0.279344 S\n0.560342 0.164822 0.827265 S\n0.439658 0.835178 0.172735 S\n0.444170 0.372441 0.793242 N\n0.555830 0.627559 0.206758 N\n0.272153 0.657862 0.873776 O\n0.727847 0.342138 0.126224 O\n0.165235 0.270849 0.007119 O\n0.834765 0.729151 0.992881 O\n0.924979 0.184772 0.628280 O\n0.075021 0.815228 0.371720 O\n0.578610 0.107790 0.655853 O\n0.421390 0.892210 0.344147 O\n0.290195 0.092510 0.579739 O\n0.709805 0.907490 0.420261 O\n0.311593 0.226246 0.427410 O\n0.688407 0.773754 0.572590 O\n",
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{
"id": "mp-1220126",
"created_at": "2022-09-04T14:39:07.593796Z",
"structure_string": "Os1 Cl1 F8\n1.0\n5.649436 0.164263 0.043038\n0.167947 5.674351 -0.080364\n0.039451 -0.087501 6.154141\nOs Cl F\n1 1 8\ndirect\n0.500381 0.501088 0.495802 Os\n0.000115 0.999685 0.935720 Cl\n0.708898 0.232405 0.488883 F\n0.291840 0.770196 0.506274 F\n0.748571 0.181204 0.992789 F\n0.249268 0.816152 0.979773 F\n0.684919 0.626743 0.716258 F\n0.315139 0.370921 0.278908 F\n0.679929 0.645500 0.284871 F\n0.320338 0.359204 0.708921 F\n",
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"formula_full": "Os1 Cl1 F8",
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"updated_at": "2021-11-28T01:34:30.660000Z",
"spacegroup": 1
},
{
"id": "mp-1209135",
"created_at": "2022-09-04T14:39:07.624954Z",
"structure_string": "S12 N8 O16\n1.0\n-5.991077 0.000000 2.040468\n-0.005866 0.000000 -7.229641\n0.000000 -13.888478 0.000000\nS N O\n12 8 16\ndirect\n0.900992 0.859226 0.851979 S\n0.099008 0.140774 0.148021 S\n0.099008 0.640774 0.351979 S\n0.900992 0.359226 0.648021 S\n0.715169 0.943309 0.391532 S\n0.284831 0.056691 0.608468 S\n0.284831 0.556691 0.891532 S\n0.715169 0.443309 0.108468 S\n0.508895 0.748914 0.577874 S\n0.491105 0.251086 0.422126 S\n0.491105 0.751086 0.077874 S\n0.508895 0.248914 0.922126 S\n0.639919 0.805975 0.481187 N\n0.360081 0.194025 0.518813 N\n0.360081 0.694025 0.981187 N\n0.639919 0.305975 0.018813 N\n0.370726 0.877417 0.615471 N\n0.629274 0.122583 0.384529 N\n0.629274 0.622583 0.115471 N\n0.370726 0.377417 0.884529 N\n0.860312 0.526925 0.595587 O\n0.139688 0.473075 0.404413 O\n0.139688 0.973075 0.095587 O\n0.860312 0.026925 0.904413 O\n0.840187 0.682959 0.913266 O\n0.159813 0.317041 0.086734 O\n0.159813 0.817041 0.413266 O\n0.840187 0.182959 0.586734 O\n0.731952 0.831084 0.772415 O\n0.268048 0.168916 0.227585 O\n0.268048 0.668916 0.272415 O\n0.731952 0.331084 0.727585 O\n0.870305 0.588397 0.315573 O\n0.129695 0.411603 0.684427 O\n0.129695 0.911603 0.815573 O\n0.870305 0.088397 0.184427 O\n",
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"formula_full": "S12 N8 O16",
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"updated_at": "2021-11-28T01:34:31.642000Z",
"spacegroup": 14
},
{
"id": "mp-1030286",
"created_at": "2022-09-04T14:39:07.635817Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n1.679316 -2.908660 0.000000\n1.679316 2.908660 0.000000\n0.000000 0.000000 38.289262\nTe Mo W S\n4 2 2 4\ndirect\n0.000000 0.000000 0.707183 Te\n0.333333 0.666667 0.044541 Te\n0.333333 0.666667 0.143319 Te\n0.000000 0.000000 0.607893 Te\n0.000000 0.000000 0.093904 Mo\n0.333333 0.666667 0.281799 Mo\n0.000000 0.000000 0.469655 W\n0.333333 0.666667 0.657566 W\n0.000000 0.000000 0.321294 S\n0.333333 0.666667 0.429984 S\n0.333333 0.666667 0.509312 S\n0.000000 0.000000 0.242297 S\n",
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"elements": [
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"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
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"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy": -85.58294946000001,
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"spacegroup": 156
},
{
"id": "mp-34291",
"created_at": "2022-09-04T14:39:07.677936Z",
"structure_string": "Zr6 In2 F30\n1.0\n5.180309 -6.159093 0.000000\n5.180309 6.159093 0.000000\n-2.142504 0.000000 7.757558\nZr In F\n6 2 30\ndirect\n0.680643 0.819357 0.250000 Zr\n0.750000 0.319357 0.180643 Zr\n0.819357 0.250000 0.680643 Zr\n0.180643 0.750000 0.319357 Zr\n0.250000 0.680643 0.819357 Zr\n0.319357 0.180643 0.750000 Zr\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n0.962364 0.537636 0.250000 F\n0.283634 0.519860 0.278736 F\n0.150364 0.675606 0.048199 F\n0.750000 0.037636 0.462364 F\n0.778736 0.019860 0.783634 F\n0.548199 0.175606 0.650364 F\n0.980140 0.216366 0.221264 F\n0.216366 0.221264 0.980140 F\n0.675606 0.048199 0.150364 F\n0.824394 0.349636 0.451801 F\n0.537636 0.250000 0.962364 F\n0.048199 0.150364 0.675606 F\n0.349636 0.451801 0.824394 F\n0.519860 0.278736 0.283634 F\n0.278736 0.283634 0.519860 F\n0.721264 0.716366 0.480140 F\n0.480140 0.721264 0.716366 F\n0.650364 0.548199 0.175606 F\n0.951801 0.849636 0.324394 F\n0.462364 0.750000 0.037636 F\n0.175606 0.650364 0.548199 F\n0.324394 0.951801 0.849636 F\n0.783634 0.778736 0.019860 F\n0.019860 0.783634 0.778736 F\n0.451801 0.824394 0.349636 F\n0.221264 0.980140 0.216366 F\n0.250000 0.962364 0.537636 F\n0.849636 0.324394 0.951801 F\n0.716366 0.480140 0.721264 F\n0.037636 0.462364 0.750000 F\n",
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],
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"volume": 495.025367115988,
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"formula_full": "Zr6 In2 F30",
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"energy": -256.9613223,
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},
{
"id": "mp-1244979",
"created_at": "2022-09-04T14:39:07.724361Z",
"structure_string": "Zn50 S50\n1.0\n12.934545 -0.668571 0.360232\n-0.634592 13.567367 0.190640\n0.352831 0.206638 13.523871\nZn S\n50 50\ndirect\n0.042096 0.156667 0.685894 Zn\n0.340588 0.571414 0.547719 Zn\n0.733340 0.082604 0.945421 Zn\n0.709237 0.452170 0.446832 Zn\n0.077658 0.831071 0.650901 Zn\n0.435015 0.030874 0.462479 Zn\n0.935991 0.553116 0.290010 Zn\n0.360046 0.960446 0.198502 Zn\n0.573310 0.524196 0.986524 Zn\n0.649474 0.888138 0.137141 Zn\n0.914220 0.314008 0.547543 Zn\n0.480583 0.956806 0.935282 Zn\n0.101862 0.923472 0.230215 Zn\n0.931041 0.295339 0.739933 Zn\n0.527500 0.885887 0.524531 Zn\n0.433623 0.720121 0.053368 Zn\n0.001264 0.806682 0.817499 Zn\n0.045062 0.062946 0.478030 Zn\n0.296321 0.177419 0.082877 Zn\n0.400061 0.571495 0.219512 Zn\n0.112389 0.264811 0.819953 Zn\n0.174545 0.032029 0.946054 Zn\n0.594981 0.216516 0.551615 Zn\n0.463858 0.821820 0.699534 Zn\n0.549303 0.569803 0.640435 Zn\n0.949184 0.567085 0.891690 Zn\n0.475478 0.111927 0.757695 Zn\n0.634948 0.515966 0.214258 Zn\n0.743896 0.184406 0.408202 Zn\n0.434533 0.268011 0.976700 Zn\n0.000203 0.800334 0.438497 Zn\n0.634323 0.932313 0.674628 Zn\n0.983344 0.139466 0.107264 Zn\n0.482601 0.204230 0.157144 Zn\n0.655977 0.292188 0.867015 Zn\n0.306336 0.700294 0.874209 Zn\n0.811169 0.931484 0.303426 Zn\n0.228229 0.332559 0.554206 Zn\n0.254693 0.562889 0.765569 Zn\n0.845936 0.344258 0.245632 Zn\n0.749062 0.621535 0.825817 Zn\n0.583861 0.980193 0.347770 Zn\n0.475435 0.426500 0.423436 Zn\n0.130895 0.710546 0.508404 Zn\n0.225921 0.501848 0.287217 Zn\n0.048401 0.433812 0.115134 Zn\n0.943229 0.974248 0.049456 Zn\n0.830991 0.401809 0.023597 Zn\n0.041862 0.441061 0.626875 Zn\n0.811996 0.994500 0.630386 Zn\n0.477391 0.889947 0.088479 S\n0.488705 0.272372 0.815760 S\n0.251498 0.948694 0.441032 S\n0.637827 0.200244 0.043934 S\n0.327008 0.313529 0.410807 S\n0.220542 0.017654 0.119166 S\n0.005197 0.814793 0.132858 S\n0.714382 0.454823 0.911942 S\n0.796907 0.209301 0.828985 S\n0.957139 0.563602 0.708366 S\n0.027244 0.955502 0.894415 S\n0.504937 0.740652 0.850858 S\n0.168913 0.204097 0.964129 S\n0.575798 0.643001 0.106446 S\n0.879285 0.702904 0.346721 S\n0.786202 0.245103 0.100734 S\n0.604115 0.021279 0.823175 S\n0.003422 0.427468 0.950753 S\n0.432785 0.440666 0.595945 S\n0.428875 0.422112 0.052100 S\n0.598337 0.555172 0.374900 S\n0.820474 0.603315 0.652692 S\n0.254558 0.857481 0.566077 S\n0.866065 0.783785 0.213405 S\n0.453711 0.080344 0.284258 S\n-0.005127 0.995856 0.634209 S\n0.175712 0.551307 0.493841 S\n0.772559 0.183827 0.572658 S\n0.808230 0.497471 0.171233 S\n0.872437 0.705862 0.913678 S\n0.567176 0.609539 0.819128 S\n0.188756 0.400117 0.711955 S\n0.332424 -0.004200 0.853329 S\n0.001999 0.283812 0.197307 S\n0.072272 0.226518 0.515706 S\n0.224527 0.330660 0.300717 S\n0.467812 0.701760 0.571340 S\n0.646176 0.834166 0.298504 S\n0.704296 0.487119 0.625080 S\n0.301993 0.858107 0.783987 S\n0.497118 0.380665 0.183300 S\n0.245814 0.858244 0.317132 S\n0.093317 0.567130 0.205936 S\n0.268746 0.671370 0.035572 S\n0.738888 0.079058 0.288594 S\n-0.015107 0.957238 0.361458 S\n0.614723 0.299777 0.401418 S\n0.877400 0.415089 0.405817 S\n0.436101 0.139786 0.593940 S\n0.767072 0.933885 0.012453 S\n",
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"formula_full": "Zn50 S50",
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},
{
"id": "mp-1220913",
"created_at": "2022-09-04T14:39:07.730825Z",
"structure_string": "Na1 V2 Bi3 O10\n1.0\n5.643958 0.000000 0.000000\n-0.796302 7.176219 0.000000\n-2.794478 -2.449887 6.216594\nNa V Bi O\n1 2 3 10\ndirect\n0.696821 0.623833 0.808821 Na\n0.650958 0.156855 0.853837 V\n0.345366 0.842888 0.139900 V\n0.913425 0.246818 0.479767 Bi\n0.090739 0.756180 0.533783 Bi\n0.306627 0.384127 0.212518 Bi\n0.742462 0.498115 0.456341 O\n0.249182 0.490252 0.518888 O\n0.842009 0.307412 0.783382 O\n0.165976 0.687497 0.218752 O\n0.434170 0.104756 0.298567 O\n0.550687 0.902780 0.692962 O\n0.869983 0.195977 0.124436 O\n0.144350 0.799425 0.872728 O\n0.628295 0.769902 0.168918 O\n0.368949 0.233182 0.836401 O\n",
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{
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"structure_string": "Na1 Nb6 Te8\n1.0\n5.373513 -9.307197 0.000000\n5.373513 9.307197 0.000000\n0.000000 0.000000 3.706173\nNa Nb Te\n1 6 8\ndirect\n0.000000 0.000000 0.500000 Na\n0.510603 0.898685 0.250936 Nb\n0.388082 0.489397 0.250936 Nb\n0.101315 0.611918 0.250936 Nb\n0.489397 0.101315 0.749064 Nb\n0.611918 0.510603 0.749064 Nb\n0.898685 0.388082 0.749064 Nb\n0.667255 0.728717 0.248196 Te\n0.061462 0.332745 0.248196 Te\n0.271283 0.938538 0.248196 Te\n0.332745 0.271283 0.751804 Te\n0.938538 0.667255 0.751804 Te\n0.728717 0.061462 0.751804 Te\n0.666667 0.333333 0.249673 Te\n0.333333 0.666667 0.750327 Te\n",
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{
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{
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{
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}