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{
"id": "mp-1197114",
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"updated_at": "2021-11-28T01:34:48.993000Z",
"spacegroup": 15
},
{
"id": "mp-531419",
"created_at": "2022-09-04T14:40:06.762602Z",
"structure_string": "Mn16 V16 O52\n1.0\n7.030493 0.000000 0.000000\n-0.812341 7.817264 0.000000\n-3.437676 -1.207466 20.696349\nMn V O\n16 16 52\ndirect\n0.873580 0.640232 0.954137 Mn\n0.733453 0.754025 0.202616 Mn\n0.616728 0.877502 0.457240 Mn\n0.383272 0.122498 0.542760 Mn\n0.499047 0.014396 0.704549 Mn\n0.266547 0.245975 0.797384 Mn\n0.359602 0.128463 0.954068 Mn\n0.126420 0.359768 0.045863 Mn\n0.246962 0.267985 0.203499 Mn\n0.019403 0.504426 0.296929 Mn\n0.885017 0.610406 0.548093 Mn\n0.114983 0.389594 0.451907 Mn\n0.980597 0.495574 0.703071 Mn\n0.753038 0.732015 0.796501 Mn\n0.640398 0.871537 0.045932 Mn\n0.500953 0.985604 0.295451 Mn\n0.901176 0.189443 0.564917 V\n0.785099 0.306017 0.826123 V\n0.645301 0.454319 0.063548 V\n0.354699 0.545681 0.936452 V\n0.537333 0.559649 0.325461 V\n0.214901 0.693983 0.173877 V\n0.404606 0.680359 0.577719 V\n0.098824 0.810557 0.435083 V\n0.270453 0.831960 0.812863 V\n0.985657 0.908261 0.689448 V\n0.159731 0.933122 0.076003 V\n0.840269 0.066878 0.923997 V\n0.014343 0.091739 0.310552 V\n0.729547 0.168040 0.187137 V\n0.595394 0.319641 0.422281 V\n0.462667 0.440351 0.674539 V\n0.091263 0.194133 0.521505 O\n0.776137 0.505648 0.861670 O\n0.972398 0.307164 0.782511 O\n0.039412 0.947245 0.373879 O\n0.579819 0.645303 0.977995 O\n0.642204 0.644697 0.106975 O\n0.844346 0.442378 0.025941 O\n0.960588 0.052755 0.626121 O\n0.676175 0.099325 0.523408 O\n0.471232 0.243666 0.636547 O\n0.566136 0.212270 0.784186 O\n0.693037 0.314242 0.125867 O\n0.155654 0.557622 0.974059 O\n0.357796 0.355303 0.893026 O\n0.420181 0.354697 0.022005 O\n0.433864 0.787730 0.215814 O\n0.725198 0.563010 0.282043 O\n0.528768 0.756334 0.363453 O\n0.323825 0.900675 0.476592 O\n0.596698 0.677284 0.537111 O\n0.398736 0.875832 0.615995 O\n0.210053 0.013158 0.732057 O\n0.474400 0.816580 0.778202 O\n0.270547 0.018810 0.858608 O\n0.058838 0.162500 0.965407 O\n0.148812 0.132526 0.111487 O\n0.347475 0.935000 0.032620 O\n0.223863 0.494352 0.138330 O\n0.027602 0.692836 0.217489 O\n0.317330 0.465363 0.284515 O\n0.908737 0.805867 0.478495 O\n0.110071 0.616917 0.395359 O\n0.186621 0.583117 0.535476 O\n0.306963 0.685758 0.874133 O\n0.781087 0.931913 0.722334 O\n0.980958 0.719506 0.644147 O\n0.042933 0.731482 0.770255 O\n0.851188 0.867474 0.888513 O\n0.652525 0.065000 0.967380 O\n0.941162 0.837500 0.034593 O\n0.957067 0.268518 0.229745 O\n0.218913 0.068087 0.277666 O\n0.019042 0.280494 0.355853 O\n0.813379 0.416883 0.464524 O\n0.889929 0.383083 0.604641 O\n0.682670 0.534637 0.715485 O\n0.525600 0.183420 0.221798 O\n0.729453 0.981190 0.141392 O\n0.789947 0.986842 0.267943 O\n0.601264 0.124168 0.384005 O\n0.403302 0.322716 0.462889 O\n0.274802 0.436990 0.717957 O\n",
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"volume": 1137.455194393243,
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"formula_full": "Mn16 V16 O52",
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"energy": -733.7849503,
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{
"id": "mp-1028848",
"created_at": "2022-09-04T14:40:06.762998Z",
"structure_string": "Te2 Mo1 W3 Se6\n1.0\n1.690757 -2.928478 0.000000\n1.690757 2.928478 0.000000\n0.000000 0.000000 38.524353\nTe Mo W Se\n2 1 3 6\ndirect\n0.666667 0.333333 0.420589 Te\n0.666667 0.333333 0.518702 Te\n0.666667 0.333333 0.281805 Mo\n0.333333 0.666667 0.093928 W\n0.333333 0.666667 0.469674 W\n0.666667 0.333333 0.657557 W\n0.333333 0.666667 0.324767 Se\n0.333333 0.666667 0.700651 Se\n0.666667 0.333333 0.050808 Se\n0.666667 0.333333 0.137045 Se\n0.333333 0.666667 0.238805 Se\n0.333333 0.666667 0.614418 Se\n",
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"elements": [
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"W",
"Se"
],
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"density": 5.9911688936304275,
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"formula_full": "Te2 Mo1 W3 Se6",
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{
"id": "mp-753531",
"created_at": "2022-09-04T14:40:06.764581Z",
"structure_string": "Li4 Ti12 V4 O32\n1.0\n-3.645541 -4.197702 -2.564557\n1.695604 -8.863030 5.111589\n-7.039763 1.045660 7.652779\nLi Ti V O\n4 12 4 32\ndirect\n0.875015 0.249990 0.624978 Li\n0.625000 0.750000 0.875000 Li\n0.374986 0.250009 0.125022 Li\n0.125000 0.750000 0.375000 Li\n0.375021 0.249993 0.624956 Ti\n0.125000 0.750000 0.875000 Ti\n0.874978 0.250008 0.125045 Ti\n0.624999 0.750001 0.375000 Ti\n0.500026 0.499989 0.499955 Ti\n0.249997 0.000005 0.749983 Ti\n0.000005 0.499995 0.000017 Ti\n0.749976 0.000009 0.250045 Ti\n0.625000 0.250001 0.374999 Ti\n0.375009 0.750012 0.624971 Ti\n0.125001 0.250000 0.874999 Ti\n0.874991 0.749989 0.125029 Ti\n0.250015 0.499997 0.749979 V\n0.999983 0.000001 0.000021 V\n0.750026 0.499986 0.250000 V\n0.499973 0.000013 0.500001 V\n0.353271 0.365904 0.451109 O\n0.103279 0.865910 0.701107 O\n0.853298 0.365901 0.951137 O\n0.603303 0.865897 0.201134 O\n0.646698 0.634101 0.548867 O\n0.396701 0.134098 0.798863 O\n0.146721 0.634089 0.048894 O\n0.896731 0.134094 0.298892 O\n0.229385 0.620240 0.569633 O\n0.979412 0.120248 0.819661 O\n0.729392 0.620244 0.069638 O\n0.479374 0.120266 0.319650 O\n0.469139 0.620247 0.329912 O\n0.219083 0.120246 0.579899 O\n0.969165 0.620251 0.829919 O\n0.719133 0.120238 0.079931 O\n0.349290 0.860007 0.449768 O\n0.099286 0.359983 0.699789 O\n0.849316 0.859980 0.949770 O\n0.599279 0.360004 0.199802 O\n0.650725 0.139997 0.550200 O\n0.400684 0.640019 0.800229 O\n0.150714 0.140016 0.050211 O\n0.900710 0.639991 0.300232 O\n0.530861 0.379764 0.670071 O\n0.280840 0.879747 0.920079 O\n0.030919 0.379753 0.170100 O\n0.780859 0.879754 0.420088 O\n0.770627 0.379734 0.430351 O\n0.520608 0.879757 0.680361 O\n0.270588 0.379750 0.930342 O\n0.020613 0.879763 0.180362 O\n",
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"formula_full": "Li4 Ti12 V4 O32",
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{
"id": "mp-1186140",
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"structure_string": "Na1 In1 Pd2\n1.0\n0.000000 3.289273 3.289273\n3.289273 0.000000 3.289273\n3.289273 3.289273 0.000000\nNa In Pd\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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{
"id": "mp-1220592",
"created_at": "2022-09-04T14:40:06.755342Z",
"structure_string": "Nb12 Pd4 Se30\n1.0\n8.377423 0.000000 0.000000\n2.061004 8.121828 0.000000\n1.576373 3.360217 15.359407\nNb Pd Se\n12 4 30\ndirect\n0.028830 0.400012 0.877653 Nb\n0.359072 0.069340 0.877884 Nb\n0.693808 0.734242 0.879570 Nb\n0.306192 0.265758 0.120430 Nb\n0.640928 0.930660 0.122116 Nb\n0.971170 0.599988 0.122347 Nb\n0.182472 0.289490 0.681751 Nb\n0.514767 0.957208 0.680051 Nb\n0.850772 0.621523 0.680347 Nb\n0.149228 0.378477 0.319653 Nb\n0.485233 0.042792 0.319949 Nb\n0.817528 0.710510 0.318249 Nb\n0.000000 0.500000 0.500000 Pd\n0.332892 0.166826 0.500259 Pd\n0.667108 0.833174 0.499741 Pd\n0.500000 0.500000 0.000000 Pd\n0.139694 0.606479 0.599338 Se\n0.472386 0.273389 0.599414 Se\n0.805709 0.939273 0.599510 Se\n0.194291 0.060727 0.400490 Se\n0.527614 0.726611 0.400586 Se\n0.860306 0.393521 0.400662 Se\n0.549708 0.672812 0.631926 Se\n0.882352 0.338620 0.632186 Se\n0.215060 0.005939 0.632230 Se\n0.784940 0.994061 0.367770 Se\n0.117648 0.661380 0.367814 Se\n0.450292 0.327188 0.368074 Se\n0.320203 0.388230 0.795628 Se\n0.651925 0.054078 0.797065 Se\n0.986621 0.720027 0.797160 Se\n0.013379 0.279973 0.202840 Se\n0.348075 0.945922 0.202935 Se\n0.679797 0.611770 0.204372 Se\n0.184062 0.525247 0.990106 Se\n0.523127 0.186471 0.990051 Se\n0.851835 0.854521 0.990878 Se\n0.148165 0.145479 0.009122 Se\n0.476873 0.813529 0.009949 Se\n0.815938 0.474753 0.009894 Se\n0.061611 0.120002 0.823658 Se\n0.395118 0.790427 0.822618 Se\n0.731486 0.453719 0.822795 Se\n0.268514 0.546281 0.177205 Se\n0.604882 0.209573 0.177382 Se\n0.938389 0.879998 0.176342 Se\n",
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{
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