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{
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"results": [
{
"id": "mp-760103",
"created_at": "2022-09-04T14:44:07.381089Z",
"structure_string": "Sr15 Pd5 O24\n1.0\n4.898772 4.885758 0.000000\n-4.898772 4.885758 0.000000\n0.000000 0.062782 13.824617\nSr Pd O\n15 5 24\ndirect\n0.249397 0.379732 0.816286 Sr\n0.250441 0.392277 0.320083 Sr\n0.380264 0.249293 0.066856 Sr\n0.380646 0.250686 0.563682 Sr\n0.121881 0.882260 0.744581 Sr\n0.117740 0.878119 0.255419 Sr\n0.750797 0.250532 0.750241 Sr\n0.249346 0.750654 0.000000 Sr\n0.749468 0.249203 0.249759 Sr\n0.890860 0.109140 0.500000 Sr\n0.881682 0.118318 0.000000 Sr\n0.620268 0.750603 0.183714 Sr\n0.607723 0.749559 0.679917 Sr\n0.750707 0.619736 0.933144 Sr\n0.749314 0.619354 0.436318 Sr\n0.000682 0.501094 0.624045 Pd\n0.498906 0.999318 0.375955 Pd\n0.500180 0.999870 0.874518 Pd\n0.251160 0.748840 0.500000 Pd\n0.000130 0.499820 0.125482 Pd\n0.074055 0.441887 0.981803 O\n0.077753 0.451750 0.482712 O\n0.058691 0.216203 0.661070 O\n0.058166 0.213607 0.161936 O\n0.213595 0.058600 0.910913 O\n0.215830 0.048131 0.415136 O\n0.714218 0.427701 0.095604 O\n0.572299 0.285782 0.904396 O\n0.573764 0.284308 0.403901 O\n0.715692 0.426236 0.596099 O\n0.442672 0.075454 0.731978 O\n0.440793 0.070790 0.232745 O\n0.558113 0.925945 0.018197 O\n0.548250 0.922247 0.517288 O\n0.420596 0.716569 0.353766 O\n0.426095 0.712822 0.843843 O\n0.287178 0.573905 0.156157 O\n0.283431 0.579404 0.646234 O\n0.786393 0.941834 0.838064 O\n0.783797 0.941309 0.338930 O\n0.951869 0.784170 0.584864 O\n0.941400 0.786405 0.089087 O\n0.924546 0.557328 0.268022 O\n0.929210 0.559207 0.767255 O\n",
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"formula_full": "Sr15 Pd5 O24",
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"spacegroup": 5
},
{
"id": "mp-30325",
"created_at": "2022-09-04T14:44:07.386793Z",
"structure_string": "In8 Se24 O60\n1.0\n13.591511 0.000000 0.000000\n0.000000 10.063381 0.000000\n0.000000 3.051385 11.100559\nIn Se O\n8 24 60\ndirect\n0.707398 0.577355 0.861153 In\n0.292602 0.077355 0.861153 In\n0.953567 0.536420 0.329031 In\n0.046433 0.036420 0.329031 In\n0.455186 0.516656 0.333170 In\n0.544814 0.016656 0.333170 In\n0.795670 0.087022 0.844494 In\n0.204330 0.587022 0.844494 In\n0.534122 0.688848 0.543449 Se\n0.465878 0.188848 0.543449 Se\n0.489692 0.342341 0.120413 Se\n0.510308 0.842341 0.120413 Se\n0.985595 0.355329 0.108679 Se\n0.014405 0.855329 0.108679 Se\n0.739006 0.776591 0.078019 Se\n0.260994 0.276591 0.078019 Se\n0.956063 0.184016 0.539360 Se\n0.043937 0.684016 0.539360 Se\n0.533806 0.186251 0.819622 Se\n0.466194 0.686251 0.819622 Se\n0.234680 0.747396 0.062787 Se\n0.765320 0.247396 0.062787 Se\n0.044872 0.182429 0.801871 Se\n0.955128 0.682429 0.801871 Se\n0.772489 0.421327 0.639442 Se\n0.227511 0.921327 0.639442 Se\n0.796000 0.916889 0.382952 Se\n0.204000 0.416889 0.382952 Se\n0.713336 0.418991 0.362523 Se\n0.286664 0.918991 0.362523 Se\n0.700630 0.914959 0.645063 Se\n0.299370 0.414959 0.645063 Se\n0.392136 0.295007 0.027429 O\n0.607864 0.795007 0.027429 O\n0.555123 0.152522 0.668784 O\n0.444877 0.652522 0.668784 O\n0.862131 0.283649 0.162197 O\n0.137869 0.783649 0.162197 O\n0.018185 0.271098 0.644953 O\n0.981815 0.771098 0.644953 O\n0.683688 0.445016 0.512163 O\n0.316312 0.945016 0.512163 O\n0.771544 0.834842 0.543112 O\n0.228456 0.334842 0.543112 O\n0.651717 0.762682 0.727836 O\n0.348283 0.262682 0.727836 O\n0.684547 0.446377 0.737053 O\n0.315453 0.946377 0.737053 O\n0.452220 0.059986 0.886453 O\n0.547780 0.559986 0.886453 O\n0.142703 0.080160 0.789980 O\n0.857297 0.580160 0.789980 O\n0.293701 0.901105 0.019268 O\n0.706299 0.401105 0.019268 O\n0.894013 0.019399 0.391990 O\n0.775019 0.689312 0.978105 O\n0.912283 0.331962 0.443497 O\n0.087717 0.831962 0.443497 O\n0.981959 0.503545 0.152641 O\n0.018041 0.003545 0.152641 O\n0.059949 0.141607 0.473962 O\n0.940051 0.641607 0.473962 O\n0.054526 0.251852 0.218588 O\n0.945474 0.751852 0.218588 O\n0.212975 0.746615 0.674738 O\n0.787025 0.246615 0.674738 O\n0.834564 0.240612 0.940507 O\n0.165436 0.740612 0.940507 O\n0.360903 0.610320 0.883350 O\n0.639097 0.110320 0.883350 O\n0.205550 0.440000 0.735262 O\n0.794450 0.940000 0.735262 O\n0.211059 0.436473 0.020693 O\n0.788941 0.936473 0.020693 O\n0.044807 0.558955 0.832529 O\n0.955193 0.058955 0.832529 O\n0.547840 0.166457 0.438640 O\n0.452160 0.666457 0.438640 O\n0.458313 0.364852 0.508281 O\n0.541687 0.864852 0.508281 O\n0.452312 0.687709 0.170889 O\n0.547688 0.187709 0.170889 O\n0.389859 0.995335 0.291278 O\n0.610141 0.495335 0.291278 O\n0.582997 0.863738 0.236321 O\n0.417003 0.363738 0.236321 O\n0.293709 0.538488 0.347057 O\n0.706291 0.038488 0.347057 O\n0.205225 0.049605 0.307937 O\n0.794775 0.549605 0.307937 O\n0.105987 0.519399 0.391990 O\n0.224981 0.189312 0.978105 O\n",
"nsites": 92,
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"elements": [
"In",
"Se",
"O"
],
"chemical_system": "In-O-Se",
"density": 4.127076036270727,
"density_atomic": 0.060594237041997095,
"volume": 1518.2962025949096,
"volume_molar": 9.938471138478285,
"formula_full": "In8 Se24 O60",
"formula_reduced": "In2(Se2O5)3",
"formula_anonymous": "A2B6C15",
"energy": -530.84572008,
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"updated_at": "2021-11-28T01:36:31.688000Z",
"spacegroup": 7
},
{
"id": "mp-1193241",
"created_at": "2022-09-04T14:44:07.388972Z",
"structure_string": "Hf6 Al16 Pd7\n1.0\n0.000000 6.201358 6.201358\n6.201358 0.000000 6.201358\n6.201358 6.201358 0.000000\nHf Al Pd\n6 16 7\ndirect\n0.681833 0.681833 0.318167 Hf\n0.318167 0.681833 0.318167 Hf\n0.681833 0.318167 0.318167 Hf\n0.318167 0.318167 0.681833 Hf\n0.681833 0.318167 0.681833 Hf\n0.318167 0.681833 0.681833 Hf\n0.879696 0.879696 0.360913 Al\n0.879696 0.360913 0.879696 Al\n0.360913 0.879696 0.879696 Al\n0.879696 0.879696 0.879696 Al\n0.120304 0.120304 0.639087 Al\n0.120304 0.639087 0.120304 Al\n0.639087 0.120304 0.120304 Al\n0.120304 0.120304 0.120304 Al\n0.665085 0.665085 0.004746 Al\n0.665085 0.004746 0.665085 Al\n0.004746 0.665085 0.665085 Al\n0.665085 0.665085 0.665085 Al\n0.334915 0.334915 0.995254 Al\n0.334915 0.995254 0.334915 Al\n0.995254 0.334915 0.334915 Al\n0.334915 0.334915 0.334915 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 29,
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"elements": [
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"Al",
"Pd"
],
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"density": 7.824826959071109,
"density_atomic": 0.06080056170104786,
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"formula_full": "Hf6 Al16 Pd7",
"formula_reduced": "Hf6Al16Pd7",
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"energy": -176.48782571,
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"spacegroup": 225
},
{
"id": "mp-1196110",
"created_at": "2022-09-04T14:44:07.390425Z",
"structure_string": "Sr4 Cu4 Te8 O28\n1.0\n5.517772 0.000000 0.000000\n0.000000 7.235011 0.000000\n0.000000 0.000000 15.489982\nSr Cu Te O\n4 4 8 28\ndirect\n0.750000 0.773765 0.457921 Sr\n0.250000 0.226235 0.542079 Sr\n0.250000 0.773765 0.042079 Sr\n0.750000 0.226235 0.957921 Sr\n0.250000 0.738909 0.613664 Cu\n0.750000 0.261091 0.386336 Cu\n0.750000 0.738909 0.886336 Cu\n0.250000 0.261091 0.113664 Cu\n0.750000 0.991924 0.671281 Te\n0.250000 0.008076 0.328719 Te\n0.250000 0.991924 0.828719 Te\n0.750000 0.008076 0.171281 Te\n0.750000 0.486448 0.674789 Te\n0.250000 0.513552 0.325211 Te\n0.250000 0.486448 0.825211 Te\n0.750000 0.513552 0.174789 Te\n0.750000 0.232547 0.611485 O\n0.250000 0.767453 0.388515 O\n0.250000 0.232547 0.888515 O\n0.750000 0.767453 0.111485 O\n0.009526 0.540290 0.598557 O\n0.509526 0.459710 0.401443 O\n0.990474 0.540290 0.901443 O\n0.490474 0.459710 0.098557 O\n0.990474 0.459710 0.401443 O\n0.490474 0.540290 0.598557 O\n0.009526 0.459710 0.098557 O\n0.509526 0.540290 0.901443 O\n0.750000 0.756995 0.730467 O\n0.250000 0.243005 0.269533 O\n0.250000 0.756995 0.769533 O\n0.750000 0.243005 0.230467 O\n0.999959 0.923597 0.589448 O\n0.499959 0.076403 0.410552 O\n0.000041 0.923597 0.910552 O\n0.500041 0.076403 0.089448 O\n0.000041 0.076403 0.410552 O\n0.500041 0.923597 0.589448 O\n0.999959 0.076403 0.089448 O\n0.499959 0.923597 0.910552 O\n0.500000 0.105183 0.750000 O\n0.000000 0.894817 0.250000 O\n0.500000 0.894817 0.250000 O\n0.000000 0.105183 0.750000 O\n",
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"spacegroup": 57
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{
"id": "mp-1224459",
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"structure_string": "Hf3 Ta1 Co8\n1.0\n8.029374 -2.418851 0.000000\n8.029374 2.418851 0.000000\n7.300695 0.000000 4.125718\nHf Ta Co\n3 1 8\ndirect\n0.625100 0.625100 0.625100 Hf\n0.001305 0.001305 0.001305 Hf\n0.498805 0.498805 0.498805 Hf\n0.124693 0.124693 0.124693 Ta\n0.562490 0.065455 0.562490 Co\n0.062110 0.560302 0.062110 Co\n0.065455 0.562490 0.562490 Co\n0.560302 0.062110 0.062110 Co\n0.812625 0.812625 0.812625 Co\n0.312516 0.312516 0.312516 Co\n0.562490 0.562490 0.065455 Co\n0.062110 0.062110 0.560302 Co\n",
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"formula_full": "Hf3 Ta1 Co8",
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{
"id": "mp-540689",
"created_at": "2022-09-04T14:44:07.380425Z",
"structure_string": "Ba16 Sn8 S32\n1.0\n7.518161 0.000000 0.000000\n0.000000 12.821339 0.000000\n0.000000 0.000000 18.074726\nBa Sn S\n16 8 32\ndirect\n0.717498 0.001483 0.626209 Ba\n0.282502 0.501483 0.373791 Ba\n0.782502 0.001483 0.126209 Ba\n0.217498 0.501483 0.873791 Ba\n0.698229 0.878371 0.874899 Ba\n0.301771 0.378371 0.125101 Ba\n0.801771 0.878371 0.374899 Ba\n0.198229 0.378371 0.625101 Ba\n0.698921 0.614761 0.688284 Ba\n0.301079 0.114761 0.311716 Ba\n0.801079 0.614761 0.188284 Ba\n0.198921 0.114761 0.811716 Ba\n0.725426 0.261315 0.944591 Ba\n0.274574 0.761315 0.055409 Ba\n0.774574 0.261315 0.444591 Ba\n0.225426 0.761315 0.555409 Ba\n0.771076 0.608123 0.975856 Sn\n0.228924 0.108123 0.024144 Sn\n0.728924 0.608123 0.475856 Sn\n0.271076 0.108123 0.524144 Sn\n0.715157 0.272698 0.733541 Sn\n0.284843 0.772698 0.266459 Sn\n0.784843 0.272698 0.233541 Sn\n0.215157 0.772698 0.766459 Sn\n0.999969 0.909369 0.751423 S\n0.000031 0.409369 0.248577 S\n0.500031 0.909369 0.251423 S\n0.499969 0.409369 0.748577 S\n0.960210 0.483177 0.492542 S\n0.039790 0.983177 0.507458 S\n0.539790 0.483177 0.992542 S\n0.460210 0.983177 0.007458 S\n0.981992 0.325125 0.800809 S\n0.018008 0.825125 0.199191 S\n0.518008 0.325125 0.300809 S\n0.481992 0.825125 0.699191 S\n0.960685 0.044907 0.963152 S\n0.039315 0.544907 0.036848 S\n0.539315 0.044907 0.463152 S\n0.460685 0.544907 0.536848 S\n0.854399 0.647695 0.851480 S\n0.145601 0.147695 0.148520 S\n0.645601 0.647695 0.351480 S\n0.354399 0.147695 0.648520 S\n0.840703 0.236385 0.614817 S\n0.159297 0.736385 0.385183 S\n0.659297 0.236385 0.114817 S\n0.340703 0.736385 0.885183 S\n0.797189 0.767264 0.542546 S\n0.202811 0.267264 0.457454 S\n0.702811 0.767264 0.042546 S\n0.297189 0.267264 0.957454 S\n0.633624 0.115126 0.801290 S\n0.366376 0.615126 0.198710 S\n0.866376 0.115126 0.301290 S\n0.133624 0.615126 0.698710 S\n",
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"elements": [
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{
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