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{
"id": "jvasp-111725",
"created_at": "2022-09-04T14:38:41.646876Z",
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"structure_string": "V2 Fe2 Pb1 O8 F2\n1.0\n5.061869 0.031769 1.841515\n1.559366 4.815798 1.841515\n-0.153261 -0.112206 7.778642\nV Fe Pb O F\n2 2 1 8 2\ndirect\n0.559879 0.559878 0.250672 V\n0.440123 0.440122 0.749328 V\n0.500000 -0.000000 0.500000 Fe\n0.000001 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Pb\n0.670409 0.670408 0.405128 O\n0.329592 0.329592 0.594872 O\n0.302058 0.302057 0.965881 O\n0.697943 0.697943 0.034119 O\n0.682979 0.198124 0.281007 O\n0.317023 0.801876 0.718993 O\n0.801877 0.317021 0.718993 O\n0.198124 0.682978 0.281007 O\n0.832311 0.832311 0.591619 F\n0.167690 0.167689 0.408381 F\n",
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{
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"structure_string": "Nd2 Pd4 O8\n1.0\n5.289096 -0.000000 -2.629637\n-1.307404 5.124962 -2.629637\n-0.014056 -0.018092 6.605635\nNd Pd O\n2 4 8\ndirect\n0.875001 0.625000 0.750000 Nd\n0.125000 0.375000 0.250000 Nd\n0.500000 0.000000 -0.000000 Pd\n-0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500001 0.500000 -0.000000 Pd\n0.826299 0.625970 0.351754 O\n0.725784 0.326298 0.851754 O\n0.125969 0.025456 0.851755 O\n0.525456 0.225783 0.351754 O\n0.173702 0.374030 0.648246 O\n0.274217 0.673702 0.148246 O\n0.474544 0.774216 0.648246 O\n0.874031 0.974544 0.148245 O\n",
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{
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"updated_at": "2022-09-04T14:37:53.816368Z",
"structure_string": "Al1 Cr1 W2 O8\n1.0\n-4.886746 -0.040198 0.037358\n1.759949 5.384812 0.024822\n-0.435832 -2.578112 -5.846496\nAl Cr W O\n1 1 2 8\ndirect\n0.459509 0.091448 0.596866 Al\n0.974293 0.094711 0.213939 Cr\n0.716537 0.600544 0.401098 W\n0.239518 0.594854 0.060681 W\n0.640353 0.887703 0.646069 O\n0.732467 0.321089 0.490468 O\n0.631021 0.793371 0.200774 O\n0.857989 0.390768 0.094937 O\n0.162051 0.839216 0.980616 O\n0.318756 0.336247 0.800096 O\n0.329474 0.404403 0.279266 O\n0.138130 0.841739 0.413691 O\n",
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"spacegroup": 1
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{
"id": "jvasp-10699",
"created_at": "2022-09-04T14:36:46.074286Z",
"updated_at": "2022-09-04T14:36:46.074311Z",
"structure_string": "Li4 Pr4 O8\n1.0\n0.000000 5.818037 -0.011051\n6.159660 0.000000 0.000000\n0.000000 -1.242818 -5.691321\nLi Pr O\n4 4 8\ndirect\n0.337615 0.358440 0.314963 Li\n0.662385 0.641560 0.685037 Li\n0.337614 0.141560 0.814963 Li\n0.662386 0.858440 0.185037 Li\n0.200675 0.569762 0.801880 Pr\n0.799325 0.069762 0.698119 Pr\n0.799326 0.430238 0.198119 Pr\n0.200675 0.930238 0.301880 Pr\n0.908111 0.738187 0.484439 O\n0.908110 0.761813 0.984439 O\n0.091890 0.238187 0.015561 O\n0.091890 0.261813 0.515561 O\n0.426732 0.870052 0.706063 O\n0.573268 0.370052 0.793937 O\n0.573268 0.129948 0.293937 O\n0.426732 0.629948 0.206063 O\n",
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{
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"created_at": "2022-09-04T14:36:41.367916Z",
"updated_at": "2022-09-04T14:36:41.367943Z",
"structure_string": "Y1 U1 O4\n1.0\n3.776589 -0.000000 0.000000\n-0.000000 3.776589 -0.000000\n0.000000 0.000000 5.364770\nY U O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.239152 O\n0.500000 0.000000 0.760848 O\n0.000000 0.500000 0.760848 O\n0.500000 0.000000 0.239152 O\n",
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{
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"created_at": "2022-09-04T14:35:41.340058Z",
"updated_at": "2022-09-04T14:35:41.340071Z",
"structure_string": "K2 Pt1 O6\n1.0\n4.731912 -0.465316 1.159991\n0.797837 4.687319 1.159991\n-0.609445 -0.465316 4.833751\nK Pt O\n2 1 6\ndirect\n0.649764 0.649764 0.649765 K\n0.350235 0.350235 0.350235 K\n0.000000 0.000000 0.000000 Pt\n0.919490 0.097843 0.594024 O\n0.594024 0.919490 0.097845 O\n0.097844 0.594023 0.919490 O\n0.080510 0.902155 0.405976 O\n0.405975 0.080509 0.902155 O\n0.902155 0.405975 0.080510 O\n",
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"formula_full": "K2 Pt1 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 148
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{
"id": "jvasp-112643",
"created_at": "2022-09-04T14:38:41.584226Z",
"updated_at": "2022-09-04T14:38:41.584255Z",
"structure_string": "Sr6 Zr2 Ti4 O18\n1.0\n5.523316 -0.017177 1.254556\n-0.355629 5.511882 1.254556\n-0.001124 -0.001195 12.567586\nSr Zr Ti O\n6 2 4 18\ndirect\n0.419419 0.920587 0.160613 Sr\n0.079413 0.580582 0.839387 Sr\n0.751601 0.248400 0.500000 Sr\n0.580582 0.079413 0.839387 Sr\n0.248401 0.751600 0.500000 Sr\n0.920588 0.419418 0.160613 Sr\n0.334388 0.334387 0.333661 Zr\n0.665613 0.665613 0.666340 Zr\n0.000000 0.000000 0.000000 Ti\n0.165307 0.165307 0.671127 Ti\n0.834694 0.834693 0.328873 Ti\n0.500000 0.500000 0.000000 Ti\n0.750382 0.249618 0.000000 O\n0.921625 0.406907 0.668686 O\n0.593093 0.078376 0.331315 O\n0.249619 0.750381 0.000000 O\n0.063092 0.063092 0.359056 O\n0.392748 0.392748 0.698308 O\n0.739053 0.739052 0.022877 O\n0.607253 0.607252 0.301693 O\n0.955541 0.955540 0.163457 O\n0.260948 0.260948 0.977124 O\n0.709886 0.709886 0.494006 O\n0.044460 0.044460 0.836544 O\n0.381486 0.381485 0.160053 O\n0.078376 0.593093 0.331315 O\n0.290115 0.290114 0.505995 O\n0.618515 0.618515 0.839947 O\n0.936909 0.936908 0.640944 O\n0.406908 0.921624 0.668686 O\n",
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"formula_full": "Sr6 Zr2 Ti4 O18",
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{
"id": "jvasp-27170",
"created_at": "2022-09-04T14:38:04.676690Z",
"updated_at": "2022-09-04T14:38:04.676722Z",
"structure_string": "Mn1 H4 Cl2 O2\n1.0\n3.659156 0.105066 -0.420452\n-0.778825 5.528735 -0.843088\n0.126970 -0.053920 5.644931\nMn H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.837174 0.601526 0.229129 H\n0.162825 0.770871 0.398473 H\n0.162826 0.398474 0.770871 H\n0.837175 0.229129 0.601526 H\n0.444996 0.753993 0.753993 Cl\n0.555003 0.246007 0.246006 Cl\n-0.000001 0.753960 0.246039 O\n-0.000000 0.246039 0.753960 O\n",
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],
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"volume": 114.76161600324426,
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"formula_full": "Mn1 H4 Cl2 O2",
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{
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"structure_string": "Sc2 Mn1 C1\n1.0\n2.943435 2.943435 -0.000000\n2.943435 -0.000000 -2.943435\n0.000000 2.943435 -2.943435\nSc Mn C\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.750001 0.750001 Sc\n0.500001 0.500001 0.500001 Mn\n0.250000 0.250000 0.250000 C\n",
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{
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"updated_at": "2022-09-04T14:36:13.182810Z",
"structure_string": "Li2 Be1 Co1\n1.0\n2.793802 -0.000000 0.000000\n0.000000 2.793802 0.000000\n0.000000 0.000000 6.534218\nLi Be Co\n2 1 1\ndirect\n0.000000 0.000000 0.942551 Li\n0.500000 0.500000 0.303949 Li\n0.000000 0.000000 0.567858 Be\n0.500000 0.500000 0.685641 Co\n",
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{
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"structure_string": "K2 Pt1 O6\n1.0\n4.731113 -0.466612 1.161232\n0.798093 4.686598 1.161232\n-0.611375 -0.466612 4.833022\nK Pt O\n2 1 6\ndirect\n0.649765 0.649767 0.649766 K\n0.350233 0.350234 0.350233 K\n0.000000 0.000000 0.000000 Pt\n0.919500 0.097881 0.594027 O\n0.594026 0.919502 0.097880 O\n0.097879 0.594028 0.919500 O\n0.080498 0.902120 0.405972 O\n0.405971 0.080500 0.902119 O\n0.902119 0.405973 0.080498 O\n",
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{
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"updated_at": "2022-09-04T14:38:55.016531Z",
"structure_string": "Sm2 Mn2 Fe15\n1.0\n6.233756 0.027801 0.800117\n0.707495 6.193540 0.800117\n0.031019 0.027801 6.284817\nSm Mn Fe\n2 2 15\ndirect\n0.654465 0.654464 0.654465 Sm\n0.345537 0.345536 0.345536 Sm\n0.909197 0.909195 0.909196 Mn\n0.090805 0.090805 0.090805 Mn\n0.663927 0.663926 0.152894 Fe\n0.336075 0.847106 0.336075 Fe\n0.847108 0.336074 0.336075 Fe\n0.336075 0.336074 0.847107 Fe\n0.291958 0.708043 0.000000 Fe\n0.708043 -0.000000 0.291958 Fe\n0.291958 -0.000000 0.708043 Fe\n0.152894 0.663926 0.663926 Fe\n0.000001 0.708043 0.291958 Fe\n0.708043 0.291957 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.000000 0.291957 0.708043 Fe\n0.663927 0.152893 0.663926 Fe\n",
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]
}