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{
"id": "mp-12194",
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"structure_string": "K8 Zn8 Mo12 O48\n1.0\n9.252589 0.000000 0.000000\n0.000000 7.043212 0.000000\n0.000000 0.353177 19.617232\nK Zn Mo O\n8 8 12 48\ndirect\n0.390133 0.815433 0.790804 K\n0.890133 0.684567 0.709196 K\n0.609867 0.184567 0.209196 K\n0.109867 0.315433 0.290804 K\n0.482712 0.298856 0.901314 K\n0.982712 0.201144 0.598686 K\n0.517288 0.701144 0.098686 K\n0.017288 0.798856 0.401314 K\n0.899457 0.876023 0.065411 Zn\n0.399457 0.623977 0.434589 Zn\n0.100543 0.123977 0.934589 Zn\n0.600543 0.376023 0.565411 Zn\n0.367728 0.094563 0.635934 Zn\n0.867728 0.405437 0.864066 Zn\n0.632272 0.905437 0.364066 Zn\n0.132272 0.594563 0.135934 Zn\n0.170091 0.618193 0.964297 Mo\n0.670091 0.881807 0.535703 Mo\n0.829909 0.381807 0.035703 Mo\n0.329909 0.118193 0.464297 Mo\n0.285393 0.600238 0.600242 Mo\n0.785393 0.899762 0.899758 Mo\n0.714607 0.399762 0.399758 Mo\n0.214607 0.100238 0.100242 Mo\n0.184990 0.280252 0.775193 Mo\n0.684990 0.219748 0.724807 Mo\n0.815010 0.719748 0.224807 Mo\n0.315010 0.780252 0.275193 Mo\n0.225086 0.132313 0.850106 O\n0.725086 0.367687 0.649894 O\n0.774914 0.867687 0.149894 O\n0.274914 0.632313 0.350106 O\n0.256741 0.650471 0.510645 O\n0.756741 0.849529 0.989355 O\n0.743259 0.349529 0.489355 O\n0.243259 0.150471 0.010645 O\n0.074584 0.840556 0.956222 O\n0.574584 0.659444 0.543778 O\n0.925416 0.159444 0.043778 O\n0.425416 0.340556 0.456222 O\n0.318761 0.627987 0.909237 O\n0.818761 0.872013 0.590763 O\n0.681239 0.372013 0.090763 O\n0.181239 0.127987 0.409237 O\n0.319517 0.454698 0.770379 O\n0.819517 0.045302 0.729621 O\n0.349840 0.803864 0.644711 O\n0.680483 0.545302 0.229621 O\n0.056254 0.417874 0.937543 O\n0.556254 0.082126 0.562457 O\n0.943746 0.582126 0.062457 O\n0.443746 0.917874 0.437543 O\n0.114835 0.539667 0.633567 O\n0.614835 0.960333 0.866433 O\n0.885165 0.460333 0.366433 O\n0.385165 0.039667 0.133567 O\n0.988877 0.608980 0.215199 O\n0.488877 0.891020 0.284801 O\n0.011123 0.391020 0.784801 O\n0.511123 0.108980 0.715199 O\n0.096597 0.893126 0.112382 O\n0.596597 0.606874 0.387618 O\n0.903403 0.106874 0.887618 O\n0.403403 0.393126 0.612382 O\n0.250312 0.592264 0.047370 O\n0.750312 0.907736 0.452630 O\n0.749688 0.407736 0.952630 O\n0.249688 0.092264 0.547370 O\n0.305679 0.637035 0.199783 O\n0.805679 0.862965 0.300217 O\n0.694321 0.362965 0.800217 O\n0.194321 0.137035 0.699783 O\n0.150160 0.303864 0.144711 O\n0.650160 0.196136 0.355289 O\n0.849840 0.696136 0.855289 O\n0.180483 0.954698 0.270379 O\n",
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"formula_full": "K8 Zn8 Mo12 O48",
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"spacegroup": 14
},
{
"id": "mp-1035982",
"created_at": "2022-09-04T14:46:41.270408Z",
"structure_string": "Y1 Mg14 V1 O16\n1.0\n4.383219 0.000000 0.000000\n0.000000 8.696192 0.000000\n0.000000 0.000000 8.728084\nY Mg V O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.261938 Mg\n0.500000 0.000000 0.738062 Mg\n0.500000 0.500000 0.252946 Mg\n0.500000 0.500000 0.747054 Mg\n0.500000 0.262473 0.000000 Mg\n0.500000 0.252493 0.500000 Mg\n0.500000 0.737527 0.000000 Mg\n0.500000 0.747507 0.500000 Mg\n0.000000 0.257354 0.257344 Mg\n0.000000 0.257354 0.742656 Mg\n0.000000 0.742646 0.257344 Mg\n0.000000 0.742646 0.742656 Mg\n0.000000 0.000000 0.500000 V\n0.000000 0.260562 0.000000 O\n0.000000 0.255724 0.500000 O\n0.000000 0.739438 0.000000 O\n0.000000 0.744276 0.500000 O\n0.500000 0.249678 0.250277 O\n0.500000 0.249678 0.749723 O\n0.500000 0.750322 0.250277 O\n0.500000 0.750322 0.749723 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.256480 O\n0.000000 0.000000 0.743520 O\n0.000000 0.500000 0.251522 O\n0.000000 0.500000 0.748478 O\n",
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{
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"created_at": "2022-09-04T14:46:58.580100Z",
"structure_string": "Ba6 Ca2 Ti2 W2 O18\n1.0\n2.999501 -5.195288 0.000000\n2.999501 5.195288 0.000000\n0.000000 0.000000 14.998639\nBa Ca Ti W O\n6 2 2 2 18\ndirect\n0.000000 0.000000 0.746184 Ba\n0.000000 0.000000 0.246184 Ba\n0.666667 0.333333 0.398529 Ba\n0.333333 0.666667 0.604833 Ba\n0.333333 0.666667 0.898529 Ba\n0.666667 0.333333 0.104833 Ba\n0.000000 0.000000 0.501636 Ca\n0.000000 0.000000 0.001636 Ca\n0.666667 0.333333 0.646210 Ti\n0.333333 0.666667 0.146210 Ti\n0.333333 0.666667 0.338990 W\n0.666667 0.333333 0.838990 W\n0.517536 0.035072 0.754379 O\n0.517536 0.482464 0.754379 O\n0.964928 0.482464 0.754379 O\n0.482464 0.964928 0.254379 O\n0.482464 0.517536 0.254379 O\n0.035072 0.517536 0.254379 O\n0.822692 0.645384 0.907342 O\n0.822692 0.177308 0.907342 O\n0.354616 0.177308 0.907342 O\n0.174826 0.349653 0.092819 O\n0.174826 0.825174 0.092819 O\n0.650347 0.825174 0.092819 O\n0.177308 0.354616 0.407342 O\n0.177308 0.822692 0.407342 O\n0.645384 0.822692 0.407342 O\n0.825174 0.650347 0.592819 O\n0.825174 0.174826 0.592819 O\n0.349653 0.174826 0.592819 O\n",
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"formula_full": "Ba6 Ca2 Ti2 W2 O18",
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{
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"created_at": "2022-09-04T14:46:56.189792Z",
"structure_string": "Fe2 F8\n1.0\n-2.725604 2.725604 5.052721\n2.725604 -2.725604 5.052721\n2.725604 2.725604 -5.052721\nFe F\n2 8\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.953632 0.453632 0.166821 F\n0.713189 0.213189 0.166821 F\n0.046368 0.546368 0.833179 F\n0.546368 0.713189 0.500000 F\n0.286811 0.786811 0.833179 F\n0.786811 0.953632 0.500000 F\n0.453632 0.286811 0.500000 F\n0.213189 0.046368 0.500000 F\n",
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{
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"structure_string": "U2 P1 N2\n1.0\n1.898626 -3.288517 0.000000\n1.898626 3.288517 0.000000\n0.000000 0.000000 6.537674\nU P N\n2 1 2\ndirect\n0.666667 0.333333 0.719318 U\n0.333333 0.666667 0.280682 U\n0.000000 0.000000 0.000000 P\n0.333333 0.666667 0.628809 N\n0.666667 0.333333 0.371191 N\n",
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{
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"structure_string": "Li4 Mn2 C4 O12\n1.0\n-1.822259 -0.000237 -4.906612\n7.188490 0.000006 -0.297559\n-0.000020 -7.770455 -0.000364\nLi Mn C O\n4 2 4 12\ndirect\n0.886511 0.287588 0.597447 Li\n0.613483 0.212345 0.097379 Li\n0.387020 0.787943 0.902468 Li\n0.112980 0.712054 0.402590 Li\n0.000558 0.000100 0.000295 Mn\n0.499319 0.499839 0.500048 Mn\n0.330735 0.160825 0.743492 C\n0.169230 0.339168 0.243534 C\n0.830747 0.660775 0.756472 C\n0.669240 0.839251 0.256454 C\n0.415646 0.093660 0.881992 O\n0.494475 0.230461 0.618542 O\n0.079746 0.151973 0.738229 O\n0.420285 0.347998 0.238224 O\n0.005469 0.269477 0.118754 O\n0.915314 0.593369 0.617954 O\n0.084539 0.406485 0.382064 O\n0.994746 0.730772 0.881158 O\n0.579671 0.651721 0.761953 O\n0.920309 0.848195 0.261968 O\n0.505147 0.769268 0.381083 O\n0.584838 0.906737 0.117905 O\n",
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{
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{
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{
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}