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{
"id": "mp-23632",
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{
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"structure_string": "K1 In1 Mo6 Se6\n1.0\n4.798756 -8.311689 0.000000\n4.798756 8.311689 0.000000\n0.000000 0.000000 4.522234\nK In Mo Se\n1 1 6 6\ndirect\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.000000 In\n0.490415 0.830587 0.500000 Mo\n0.169413 0.659827 0.500000 Mo\n0.340173 0.509585 0.500000 Mo\n0.177543 0.502753 0.000000 Mo\n0.497247 0.674790 0.000000 Mo\n0.325210 0.822457 0.000000 Mo\n0.656329 0.676569 0.500000 Se\n0.323431 0.979760 0.500000 Se\n0.020240 0.343671 0.500000 Se\n0.007607 0.650769 0.000000 Se\n0.349231 0.356839 0.000000 Se\n0.643161 0.992393 0.000000 Se\n",
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{
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"structure_string": "V8 O12\n1.0\n-0.899840 0.000000 3.668485\n4.646770 -0.000003 2.906353\n-0.000005 12.036362 -0.000002\nV O\n8 12\ndirect\n0.612175 0.327156 0.341024 V\n0.612174 0.827153 0.158977 V\n0.840060 0.288559 0.049753 V\n0.840056 0.788560 0.450248 V\n0.387868 0.172881 0.841025 V\n0.387868 0.672878 0.658973 V\n0.159891 0.211416 0.549818 V\n0.159886 0.711424 0.950181 V\n0.930300 0.086023 0.891683 O\n0.069658 0.413999 0.391735 O\n0.930301 0.586024 0.608317 O\n0.069659 0.914001 0.108265 O\n0.319390 0.041426 0.693780 O\n0.680683 0.458575 0.193764 O\n0.319393 0.541427 0.806221 O\n0.680683 0.958574 0.306236 O\n0.325711 0.318504 0.004900 O\n0.674265 0.181458 0.504972 O\n0.325710 0.818503 0.495100 O\n0.674271 0.681460 0.995030 O\n",
"nsites": 20,
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"elements": [
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{
"id": "mp-865878",
"created_at": "2022-09-04T14:46:30.398078Z",
"structure_string": "Ti2 Tc1 Ni1\n1.0\n0.000000 3.049142 3.049142\n3.049142 0.000000 3.049142\n3.049142 3.049142 0.000000\nTi Tc Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ni\n",
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"density": 7.393033012387509,
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{
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"created_at": "2022-09-04T14:46:30.400977Z",
"structure_string": "Sr8 Dy4 Nb4 O24\n1.0\n8.379340 0.000000 0.000000\n0.000000 8.379340 0.000000\n0.000000 0.000000 8.379340\nSr Dy Nb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Dy\n0.750000 0.250000 0.250000 Dy\n0.250000 0.750000 0.250000 Dy\n0.250000 0.250000 0.750000 Dy\n0.250000 0.250000 0.250000 Nb\n0.250000 0.750000 0.750000 Nb\n0.750000 0.250000 0.750000 Nb\n0.750000 0.750000 0.250000 Nb\n0.217525 0.289565 0.486451 O\n0.217525 0.710435 0.513549 O\n0.782475 0.289565 0.513549 O\n0.782475 0.710435 0.486451 O\n0.289565 0.486451 0.217525 O\n0.710435 0.513549 0.217525 O\n0.289565 0.513549 0.782475 O\n0.710435 0.486451 0.782475 O\n0.486451 0.217525 0.289565 O\n0.513549 0.217525 0.710435 O\n0.513549 0.782475 0.289565 O\n0.486451 0.782475 0.710435 O\n0.282475 0.210435 0.013549 O\n0.282475 0.789565 0.986451 O\n0.717525 0.210435 0.986451 O\n0.717525 0.789565 0.013549 O\n0.210435 0.013549 0.282475 O\n0.789565 0.986451 0.282475 O\n0.210435 0.986451 0.717525 O\n0.789565 0.013549 0.717525 O\n0.013549 0.282475 0.210435 O\n0.986451 0.282475 0.789565 O\n0.986451 0.717525 0.210435 O\n0.013549 0.717525 0.789565 O\n",
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{
"id": "mp-641497",
"created_at": "2022-09-04T14:46:30.401641Z",
"structure_string": "K4 Fe4 Co12 P12 O48\n1.0\n6.229669 0.000000 0.000000\n0.000000 9.791016 0.000000\n0.000000 0.000000 16.820795\nK Fe Co P O\n4 4 12 12 48\ndirect\n0.500000 0.204755 0.535013 K\n0.000000 0.295245 0.035013 K\n0.500000 0.795245 0.464987 K\n0.000000 0.704755 0.964987 K\n0.000000 0.012343 0.639220 Fe\n0.000000 0.987657 0.360780 Fe\n0.500000 0.487657 0.139220 Fe\n0.500000 0.512343 0.860780 Fe\n0.500000 0.034284 0.090795 Co\n0.250961 0.748935 0.702122 Co\n0.250961 0.251065 0.297878 Co\n0.750961 0.248935 0.797878 Co\n0.249039 0.751065 0.202122 Co\n0.500000 0.965716 0.909205 Co\n0.000000 0.534284 0.409205 Co\n0.749039 0.251065 0.297878 Co\n0.000000 0.465716 0.590795 Co\n0.750961 0.751065 0.202122 Co\n0.249039 0.248935 0.797878 Co\n0.749039 0.748935 0.702122 Co\n0.000000 0.210783 0.463233 P\n0.000000 0.456749 0.217461 P\n0.000000 0.957601 0.834548 P\n0.500000 0.542399 0.334548 P\n0.000000 0.543251 0.782539 P\n0.500000 0.457601 0.665452 P\n0.500000 0.710783 0.036767 P\n0.500000 0.043251 0.717461 P\n0.000000 0.042399 0.165452 P\n0.500000 0.289217 0.963233 P\n0.000000 0.789217 0.536767 P\n0.500000 0.956749 0.282539 P\n0.697897 0.333764 0.911489 O\n0.201956 0.087071 0.120683 O\n0.794817 0.401394 0.178205 O\n0.802103 0.166236 0.411489 O\n0.500000 0.359006 0.043717 O\n0.500000 0.616760 0.677328 O\n0.500000 0.891768 0.195735 O\n0.000000 0.859006 0.456283 O\n0.697897 0.666236 0.088511 O\n0.302103 0.333764 0.911489 O\n0.000000 0.384055 0.775713 O\n0.294817 0.901394 0.321795 O\n0.000000 0.615945 0.224287 O\n0.298044 0.587071 0.379317 O\n0.302103 0.666236 0.088511 O\n0.500000 0.115945 0.275713 O\n0.000000 0.368116 0.478558 O\n0.500000 0.385416 0.751224 O\n0.500000 0.868116 0.021442 O\n0.705183 0.901394 0.321795 O\n0.294817 0.098606 0.678205 O\n0.500000 0.640994 0.956283 O\n0.197897 0.833764 0.588511 O\n0.701956 0.587071 0.379317 O\n0.802103 0.833764 0.588511 O\n0.000000 0.883240 0.177328 O\n0.000000 0.885416 0.748776 O\n0.500000 0.884055 0.724287 O\n0.205183 0.598606 0.821795 O\n0.794817 0.598606 0.821795 O\n0.000000 0.116760 0.822672 O\n0.701956 0.412929 0.620683 O\n0.500000 0.383240 0.322672 O\n0.201956 0.912929 0.879317 O\n0.298044 0.412929 0.620683 O\n0.798044 0.087071 0.120683 O\n0.500000 0.614584 0.248776 O\n0.000000 0.114584 0.251224 O\n0.000000 0.140994 0.543717 O\n0.000000 0.391768 0.304265 O\n0.000000 0.631884 0.521442 O\n0.197897 0.166236 0.411489 O\n0.205183 0.401394 0.178205 O\n0.500000 0.131884 0.978558 O\n0.500000 0.108232 0.804265 O\n0.000000 0.608232 0.695735 O\n0.798044 0.912929 0.879317 O\n0.705183 0.098606 0.678205 O\n",
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{
"id": "mp-557955",
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"structure_string": "Ca12 Al16 Zn4 O40\n1.0\n5.188656 0.000000 0.000000\n0.000000 10.813945 0.000000\n0.000000 0.000000 16.929606\nCa Al Zn O\n12 16 4 40\ndirect\n0.296171 0.077539 0.393473 Ca\n0.703829 0.077539 0.893473 Ca\n0.704046 0.930134 0.609539 Ca\n0.727610 0.739794 0.790673 Ca\n0.295954 0.930134 0.109539 Ca\n0.296171 0.577539 0.106527 Ca\n0.295954 0.430134 0.390461 Ca\n0.727610 0.239794 0.709327 Ca\n0.703829 0.577539 0.606527 Ca\n0.272390 0.739794 0.290673 Ca\n0.272390 0.239794 0.209327 Ca\n0.704046 0.430134 0.890461 Ca\n0.801678 0.000308 0.251355 Al\n0.368925 0.752584 0.469581 Al\n0.801678 0.500308 0.248645 Al\n0.631075 0.252584 0.530419 Al\n0.258520 0.250847 0.835691 Al\n0.368925 0.252584 0.030419 Al\n0.198322 0.000308 0.751355 Al\n0.258520 0.750847 0.664309 Al\n0.198322 0.500308 0.748645 Al\n0.128842 0.898542 0.923181 Al\n0.871158 0.898542 0.423181 Al\n0.741480 0.750847 0.164309 Al\n0.871158 0.398542 0.076819 Al\n0.631075 0.752584 0.969581 Al\n0.128842 0.398542 0.576819 Al\n0.741480 0.250847 0.335691 Al\n0.856969 0.100468 0.078970 Zn\n0.856969 0.600468 0.421030 Zn\n0.143031 0.600468 0.921030 Zn\n0.143031 0.100468 0.578970 Zn\n0.468300 0.883517 0.926681 O\n0.405235 0.120245 0.787671 O\n0.598896 0.380629 0.286549 O\n0.991322 0.001959 0.493657 O\n0.008678 0.501959 0.506343 O\n0.401104 0.880629 0.713451 O\n0.996396 0.941382 0.329352 O\n0.531700 0.883517 0.426681 O\n0.594765 0.620245 0.212329 O\n0.996396 0.441382 0.170648 O\n0.531700 0.383517 0.073319 O\n0.510698 0.122303 0.582060 O\n0.003604 0.441382 0.670648 O\n0.573899 0.751362 0.071756 O\n0.021420 0.558292 0.319218 O\n0.978580 0.058292 0.680782 O\n0.489302 0.622303 0.417940 O\n0.077599 0.249591 0.334458 O\n0.510698 0.622303 0.917940 O\n0.489302 0.122303 0.082060 O\n0.957715 0.759504 0.939533 O\n0.426101 0.251362 0.928244 O\n0.978580 0.558292 0.819218 O\n0.991322 0.501959 0.006343 O\n0.426101 0.751362 0.571756 O\n0.003604 0.941382 0.829352 O\n0.957715 0.259504 0.560467 O\n0.468300 0.383517 0.573319 O\n0.573899 0.251362 0.428244 O\n0.401104 0.380629 0.786549 O\n0.922401 0.749591 0.665542 O\n0.042285 0.259504 0.060467 O\n0.922401 0.249591 0.834458 O\n0.598896 0.880629 0.213451 O\n0.405235 0.620245 0.712329 O\n0.021420 0.058292 0.180782 O\n0.042285 0.759504 0.439533 O\n0.008678 0.001959 0.993657 O\n0.594765 0.120245 0.287671 O\n0.077599 0.749591 0.165542 O\n",
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{
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"structure_string": "Ge5 Te4 Se1\n1.0\n-2.101538 2.101538 15.104812\n2.101538 -2.101538 15.104812\n2.101538 2.101538 -15.104812\nGe Te Se\n5 4 1\ndirect\n0.800004 0.800004 0.000000 Ge\n0.199996 0.199996 0.000000 Ge\n0.598845 0.598845 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.401155 0.401155 0.000000 Ge\n0.900161 0.900161 0.000000 Te\n0.300146 0.300146 0.000000 Te\n0.699854 0.699854 0.000000 Te\n0.099839 0.099839 0.000000 Te\n0.500000 0.500000 0.000000 Se\n",
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{
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{
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