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{
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{
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"formula_full": "V6 H12 O20",
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"spacegroup": 1
},
{
"id": "mp-1146",
"created_at": "2022-09-04T14:45:28.107371Z",
"structure_string": "Th4 S8\n1.0\n4.299544 0.000000 0.000000\n0.000000 7.277974 0.000000\n0.000000 0.000000 8.650010\nTh S\n4 8\ndirect\n0.750000 0.249712 0.382752 Th\n0.250000 0.750288 0.617248 Th\n0.750000 0.749712 0.117248 Th\n0.250000 0.250288 0.882752 Th\n0.750000 0.639433 0.429221 S\n0.250000 0.360567 0.570779 S\n0.750000 0.139433 0.070779 S\n0.250000 0.860567 0.929221 S\n0.750000 0.527573 0.835017 S\n0.250000 0.472427 0.164983 S\n0.750000 0.027573 0.664983 S\n0.250000 0.972427 0.335017 S\n",
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"formula_full": "Th4 S8",
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{
"id": "mp-1217381",
"created_at": "2022-09-04T14:45:27.887795Z",
"structure_string": "Ti10 Cu1 Sn6\n1.0\n4.079972 -7.066719 0.000000\n4.079972 7.066719 0.000000\n0.000000 0.000000 5.503245\nTi Cu Sn\n10 1 6\ndirect\n0.666667 0.333333 0.500000 Ti\n0.333333 0.666667 0.500000 Ti\n0.333333 0.666667 0.000000 Ti\n0.666667 0.333333 0.000000 Ti\n0.737700 0.737700 0.240489 Ti\n0.262300 0.000000 0.240489 Ti\n0.000000 0.262300 0.240489 Ti\n0.262300 0.262300 0.759511 Ti\n0.737700 0.000000 0.759511 Ti\n0.000000 0.737700 0.759511 Ti\n0.000000 0.000000 0.500000 Cu\n0.385581 0.385581 0.254740 Sn\n0.614419 0.000000 0.254740 Sn\n0.000000 0.614419 0.254740 Sn\n0.614419 0.614419 0.745260 Sn\n0.385581 0.000000 0.745260 Sn\n0.000000 0.385581 0.745260 Sn\n",
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"density_atomic": 0.05357042267102711,
"volume": 317.3392919521286,
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"formula_full": "Ti10 Cu1 Sn6",
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"updated_at": "2021-11-28T01:36:58.990000Z",
"spacegroup": 162
},
{
"id": "mp-1097336",
"created_at": "2022-09-04T14:45:27.889433Z",
"structure_string": "V1 Cr2 Re1\n1.0\n-5.072761 5.840876 8.388215\n5.072761 -5.840876 8.388215\n5.072761 5.840876 -8.388215\nV Cr Re\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.275233 0.275233 Cr\n0.000000 0.724767 0.724767 Cr\n0.000000 0.500000 0.500000 Re\n",
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"density_atomic": 0.004023537551131776,
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"formula_full": "V1 Cr2 Re1",
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},
{
"id": "mp-685632",
"created_at": "2022-09-04T14:45:27.898740Z",
"structure_string": "Ba7 U7 O24\n1.0\n-6.221296 0.000000 0.000000\n-0.002187 -10.679973 0.000000\n0.021316 3.479062 10.156573\nBa U O\n7 7 24\ndirect\n0.009851 0.631587 0.400871 Ba\n0.005061 0.097766 0.860700 Ba\n0.476824 0.645488 0.863740 Ba\n0.524417 0.854940 0.632345 Ba\n0.509116 0.377481 0.113772 Ba\n0.988341 0.863055 0.103567 Ba\n0.993277 0.395085 0.632506 Ba\n0.499518 0.755799 0.253521 U\n0.497972 0.011440 0.016432 U\n0.499711 0.245514 0.744913 U\n0.501047 0.485854 0.489769 U\n0.999790 0.499353 0.002758 U\n0.001204 0.245188 0.251294 U\n0.001948 0.002036 0.493644 U\n0.991869 0.913366 0.629322 O\n0.994702 0.414122 0.156746 O\n0.261074 0.885733 0.923355 O\n0.248323 0.650875 0.108998 O\n0.227327 0.149792 0.626732 O\n0.223805 0.365460 0.392553 O\n0.286751 0.622514 0.593669 O\n0.256952 0.847748 0.399389 O\n0.248476 0.160910 0.106190 O\n0.263363 0.361993 0.894134 O\n0.505730 0.910615 0.170238 O\n0.506642 0.404337 0.661343 O\n0.494853 0.588773 0.329917 O\n0.494550 0.095520 0.842544 O\n0.734579 0.643524 0.101365 O\n0.715607 0.876995 0.912690 O\n0.754306 0.140195 0.619520 O\n0.757504 0.355362 0.381514 O\n0.758088 0.842677 0.390957 O\n0.735445 0.613565 0.583699 O\n0.755712 0.352331 0.887322 O\n0.766456 0.150416 0.099840 O\n0.009178 0.583244 0.863591 O\n0.004832 0.081697 0.336890 O\n",
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],
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"formula_full": "Ba7 U7 O24",
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{
"id": "mp-8851",
"created_at": "2022-09-04T14:45:27.906361Z",
"structure_string": "Ba2 Cu2 P4 O14\n1.0\n5.277065 0.000000 0.000000\n-0.721795 7.633480 0.000000\n-0.224066 -1.835921 7.454655\nBa Cu P O\n2 2 4 14\ndirect\n0.193221 0.776876 0.928914 Ba\n0.806779 0.223124 0.071086 Ba\n0.819691 0.356019 0.596966 Cu\n0.180309 0.643981 0.403034 Cu\n0.713164 0.808141 0.600358 P\n0.286836 0.191859 0.399642 P\n0.688995 0.733809 0.219531 P\n0.311005 0.266191 0.780469 P\n0.907298 0.664156 0.584250 O\n0.092702 0.335844 0.415750 O\n0.786996 0.967633 0.754824 O\n0.213004 0.032367 0.245176 O\n0.436727 0.722461 0.604454 O\n0.563273 0.277539 0.395546 O\n0.728427 0.875726 0.414344 O\n0.271573 0.124274 0.585656 O\n0.574013 0.375642 0.788350 O\n0.425987 0.624358 0.211650 O\n0.298726 0.157789 0.922823 O\n0.701274 0.842211 0.077177 O\n0.090297 0.388721 0.795058 O\n0.909703 0.611279 0.204942 O\n",
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{
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"structure_string": "Li30 Cr6 Si24 O72\n1.0\n7.233386 -10.529963 0.000000\n7.233386 10.529963 0.000000\n-8.095551 0.000000 9.882513\nLi Cr Si O\n30 6 24 72\ndirect\n0.816745 0.019233 0.829550 Li\n0.980767 0.183255 0.170450 Li\n0.665432 0.180917 0.232639 Li\n0.819083 0.334568 0.767361 Li\n0.579494 0.184223 0.723361 Li\n0.815777 0.420506 0.276639 Li\n0.638549 0.470843 0.627935 Li\n0.529157 0.361451 0.372065 Li\n0.420506 0.276639 0.815777 Li\n0.723361 0.579494 0.184223 Li\n0.766181 0.766181 0.766181 Li\n0.000000 0.000000 0.000000 Li\n0.233819 0.233819 0.233819 Li\n0.183255 0.170450 0.980767 Li\n0.829550 0.816745 0.019233 Li\n0.361451 0.372065 0.529157 Li\n0.627935 0.638549 0.470843 Li\n0.767361 0.819083 0.334568 Li\n0.180917 0.232639 0.665432 Li\n0.372065 0.529157 0.361451 Li\n0.470843 0.627935 0.638549 Li\n0.705446 0.000000 0.294554 Li\n0.000000 0.294554 0.705446 Li\n0.294554 0.705446 0.000000 Li\n0.334568 0.767361 0.819083 Li\n0.232639 0.665432 0.180917 Li\n0.184223 0.723361 0.579494 Li\n0.276639 0.815777 0.420506 Li\n0.019233 0.829550 0.816745 Li\n0.170450 0.980767 0.183255 Li\n0.757944 0.242056 0.000000 Cr\n0.745389 0.254611 0.500000 Cr\n0.242056 0.000000 0.757944 Cr\n0.500000 0.745389 0.254611 Cr\n0.254611 0.500000 0.745389 Cr\n0.000000 0.757944 0.242056 Cr\n0.755968 0.022888 0.565309 Si\n0.977112 0.244032 0.434691 Si\n0.466563 0.193941 0.478530 Si\n0.806059 0.533437 0.521470 Si\n0.972897 0.700380 0.961662 Si\n0.299620 0.027103 0.038338 Si\n0.749126 0.479963 0.939021 Si\n0.520037 0.250874 0.060979 Si\n0.939021 0.749126 0.479963 Si\n0.250874 0.060979 0.520037 Si\n0.478530 0.466563 0.193941 Si\n0.533437 0.521470 0.806059 Si\n0.961662 0.972897 0.700380 Si\n0.027103 0.038338 0.299620 Si\n0.244032 0.434691 0.977112 Si\n0.565309 0.755968 0.022888 Si\n0.038338 0.299620 0.027103 Si\n0.700380 0.961662 0.972897 Si\n0.521470 0.806059 0.533437 Si\n0.193941 0.478530 0.466563 Si\n0.060979 0.520037 0.250874 Si\n0.479963 0.939021 0.749126 Si\n0.022888 0.565309 0.755968 Si\n0.434691 0.977112 0.244032 Si\n0.910854 0.064000 0.660174 O\n0.936000 0.089146 0.339826 O\n0.874843 0.218373 0.935385 O\n0.781627 0.125157 0.064615 O\n0.833923 0.221553 0.401180 O\n0.778447 0.166077 0.598820 O\n0.592552 0.085195 0.310775 O\n0.914805 0.407448 0.689225 O\n0.905489 0.412046 0.185762 O\n0.587954 0.094511 0.814238 O\n0.657951 0.256578 0.100983 O\n0.743422 0.342049 0.899017 O\n0.630630 0.271592 0.574020 O\n0.728408 0.369370 0.425980 O\n0.954058 0.616996 0.667128 O\n0.383004 0.045942 0.332872 O\n0.449630 0.170379 0.118356 O\n0.829621 0.550370 0.881644 O\n0.412716 0.152449 0.568835 O\n0.847551 0.587284 0.431165 O\n0.412046 0.185762 0.905489 O\n0.814238 0.587954 0.094511 O\n0.899017 0.743422 0.342049 O\n0.256578 0.100983 0.657951 O\n0.568835 0.412716 0.152449 O\n0.587284 0.431165 0.847551 O\n0.932169 0.788706 0.913469 O\n0.211294 0.067831 0.086531 O\n0.431118 0.291152 0.444631 O\n0.708848 0.568882 0.555369 O\n0.170379 0.118356 0.449630 O\n0.881644 0.829621 0.550370 O\n0.125157 0.064615 0.781627 O\n0.935385 0.874843 0.218373 O\n0.444631 0.431118 0.291152 O\n0.568882 0.555369 0.708848 O\n0.913469 0.932169 0.788706 O\n0.067831 0.086531 0.211294 O\n0.574020 0.630630 0.271592 O\n0.369370 0.425980 0.728408 O\n0.616996 0.667128 0.954058 O\n0.332872 0.383004 0.045942 O\n0.086531 0.211294 0.067831 O\n0.788706 0.913469 0.932169 O\n0.555369 0.708848 0.568882 O\n0.291152 0.444631 0.431118 O\n0.221553 0.401180 0.833923 O\n0.598820 0.778447 0.166077 O\n0.689225 0.914805 0.407448 O\n0.085195 0.310775 0.592552 O\n0.089146 0.339826 0.936000 O\n0.660174 0.910854 0.064000 O\n0.407448 0.689225 0.914805 O\n0.310775 0.592552 0.085195 O\n0.667128 0.954058 0.616996 O\n0.045942 0.332872 0.383004 O\n0.425980 0.728408 0.369370 O\n0.271592 0.574020 0.630630 O\n0.118356 0.449630 0.170379 O\n0.550370 0.881644 0.829621 O\n0.431165 0.847551 0.587284 O\n0.152449 0.568835 0.412716 O\n0.166077 0.598820 0.778447 O\n0.401180 0.833923 0.221553 O\n0.342049 0.899017 0.743422 O\n0.100983 0.657951 0.256578 O\n0.064000 0.660174 0.910854 O\n0.339826 0.936000 0.089146 O\n0.064615 0.781627 0.125157 O\n0.218373 0.935385 0.874843 O\n0.094511 0.814238 0.587954 O\n0.185762 0.905489 0.412046 O\n",
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