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{
"id": "jvasp-105378",
"created_at": "2022-09-04T14:36:54.657072Z",
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"structure_string": "Ti4 Al2 C1 N1\n1.0\n3.036361 0.000000 0.000000\n-1.518180 2.629565 0.000000\n0.000000 -0.000000 13.606276\nTi Al C N\n4 2 1 1\ndirect\n0.666667 0.333334 0.415865 Ti\n0.333334 0.666668 0.584136 Ti\n0.333334 0.666668 0.914687 Ti\n0.666667 0.333334 0.085313 Ti\n0.666667 0.333334 0.748139 Al\n0.333334 0.666668 0.251861 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 N\n",
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{
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{
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"structure_string": "Tb6 B2 W2 O18\n1.0\n4.261998 -7.381996 0.000000\n4.261998 7.381996 -0.000000\n0.000000 0.000000 5.386606\nTb B W O\n6 2 2 18\ndirect\n0.358166 0.083741 0.701768 Tb\n0.725575 0.641834 0.701768 Tb\n0.641834 0.916260 0.201768 Tb\n0.916260 0.274425 0.701768 Tb\n0.083741 0.725575 0.201768 Tb\n0.274425 0.358166 0.201768 Tb\n0.000000 0.000000 0.865564 B\n0.000000 0.000000 0.365563 B\n0.666667 0.333333 0.245059 W\n0.333333 0.666667 0.745060 W\n0.486110 0.618702 0.979841 O\n0.197235 0.465149 0.536454 O\n0.732087 0.197235 0.036454 O\n0.867409 0.486110 0.479841 O\n0.053341 0.872067 0.856133 O\n0.818727 0.946660 0.856133 O\n0.127933 0.181274 0.856133 O\n0.267913 0.802765 0.536454 O\n0.132592 0.513890 0.979841 O\n0.872067 0.818727 0.356133 O\n0.381298 0.867409 0.979841 O\n0.181274 0.053341 0.356133 O\n0.802765 0.534852 0.036454 O\n0.946660 0.127933 0.356133 O\n0.534852 0.732087 0.536454 O\n0.465149 0.267913 0.036454 O\n0.618702 0.132592 0.479841 O\n0.513890 0.381298 0.479841 O\n",
"nsites": 28,
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"formula_full": "Tb6 B2 W2 O18",
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{
"id": "jvasp-106846",
"created_at": "2022-09-04T14:36:45.906602Z",
"updated_at": "2022-09-04T14:36:45.906622Z",
"structure_string": "Ba1 Ga2 Si1 S6\n1.0\n5.993393 0.022882 -1.400718\n-1.176347 6.048658 -1.052870\n-0.049526 0.041928 6.385950\nBa Ga Si S\n1 2 1 6\ndirect\n0.469521 0.457671 0.443441 Ba\n0.998026 0.845686 0.265994 Ga\n0.263455 0.984416 0.858410 Ga\n0.844882 0.274512 0.995552 Si\n0.036739 0.711036 0.581899 S\n0.591320 0.049761 0.734940 S\n0.711954 0.575882 0.017470 S\n0.896590 0.190434 0.313701 S\n0.345240 0.899780 0.198530 S\n0.158311 0.326867 0.906104 S\n",
"nsites": 10,
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{
"id": "jvasp-49671",
"created_at": "2022-09-04T14:37:04.126194Z",
"updated_at": "2022-09-04T14:37:04.126219Z",
"structure_string": "Zn4 Co2 Sb2 O12\n1.0\n0.000000 5.143325 -0.017472\n7.631298 0.000000 0.000000\n0.000000 0.001578 -5.205582\nZn Co Sb O\n4 2 2 12\ndirect\n0.486298 0.250000 0.555879 Zn\n0.513703 0.750000 0.444120 Zn\n0.988163 0.250000 0.024460 Zn\n0.011838 0.750000 0.975539 Zn\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.326434 0.434158 0.314779 O\n0.614332 0.250000 0.925621 O\n0.673568 0.934158 0.685220 O\n0.128385 0.750000 0.574999 O\n0.183185 0.067059 0.822174 O\n0.816816 0.932941 0.177825 O\n0.183185 0.432941 0.822174 O\n0.326434 0.065842 0.314779 O\n0.871616 0.250000 0.425001 O\n0.673568 0.565842 0.685220 O\n0.816816 0.567060 0.177825 O\n0.385669 0.750000 0.074378 O\n",
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"formula_full": "Zn4 Co2 Sb2 O12",
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{
"id": "jvasp-106903",
"created_at": "2022-09-04T14:36:46.639658Z",
"updated_at": "2022-09-04T14:36:46.639681Z",
"structure_string": "K2 Rb1 Al1 Cl6\n1.0\n6.513856 -0.000000 3.760777\n2.171285 6.141323 3.760777\n-0.000000 -0.000000 7.521554\nK Rb Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.781258 0.218742 0.218742 Cl\n0.218743 0.218742 0.781258 Cl\n0.218743 0.781257 0.781258 Cl\n0.218743 0.781257 0.218742 Cl\n0.781258 0.218742 0.781258 Cl\n0.781259 0.781257 0.218742 Cl\n",
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"elements": [
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"formula_full": "K2 Rb1 Al1 Cl6",
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{
"id": "jvasp-52907",
"created_at": "2022-09-04T14:36:54.565408Z",
"updated_at": "2022-09-04T14:36:54.565429Z",
"structure_string": "Mg2 H12 N4 Cl4\n1.0\n-4.060868 4.048053 3.746728\n4.060868 -4.048053 3.746728\n4.060868 4.048053 -3.746728\nMg H N Cl\n2 12 4 4\ndirect\n0.750000 0.745123 0.995122 Mg\n0.250000 0.254878 0.004878 Mg\n0.670116 0.437927 0.390543 H\n0.952617 0.562074 0.232189 H\n0.170117 0.779573 0.232190 H\n0.329884 0.562074 0.609457 H\n0.047383 0.437927 0.767811 H\n0.452617 0.220428 0.390543 H\n0.547383 0.779573 0.609457 H\n0.073243 0.847118 0.420360 H\n0.573242 0.152883 0.226124 H\n0.926757 0.152883 0.579640 H\n0.426758 0.847118 0.773875 H\n0.829883 0.220428 0.767810 H\n0.483880 0.734005 0.717884 N\n0.983880 0.265997 0.749875 N\n0.516119 0.265997 0.282116 N\n0.016120 0.734005 0.250125 N\n0.991615 0.207698 0.216082 Cl\n0.491615 0.275533 0.783917 Cl\n0.508385 0.724467 0.216083 Cl\n0.008385 0.792302 0.783917 Cl\n",
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{
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"created_at": "2022-09-04T14:36:54.562446Z",
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"structure_string": "Ba2 Cu1 S2 Cl2\n1.0\n4.643403 0.038970 -7.086702\n-0.381116 4.627900 -7.086702\n-0.035591 -0.038970 8.472383\nBa Cu S Cl\n2 1 2 2\ndirect\n0.354755 0.354756 -0.000000 Ba\n0.645244 0.645245 -0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.157407 0.157407 -0.000000 S\n0.842592 0.842593 -0.000001 S\n0.500000 -0.000000 0.500000 Cl\n-0.000000 0.500000 0.500000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:45.961761Z",
"updated_at": "2022-09-04T14:36:45.961784Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n-0.000000 -7.937245 -2.782584\n-5.139959 -0.000000 -2.782584\n-0.000000 -0.000000 -5.565170\nLi Ni C O\n4 2 4 12\ndirect\n0.656339 0.911100 0.537644 Li\n0.156339 0.588900 0.698745 Li\n0.843662 0.411100 0.443984 Li\n0.343661 0.088900 0.105085 Li\n0.500000 0.500000 0.268215 Ni\n-0.000000 -0.000000 0.018216 Ni\n0.701033 0.943914 0.967284 C\n0.201033 0.556086 0.161200 C\n0.798968 0.443914 0.918317 C\n0.298967 0.056086 0.612233 C\n0.455844 0.137602 0.468575 O\n0.955844 0.362398 0.856177 O\n0.732261 0.428094 0.173979 O\n0.720187 0.535454 0.733741 O\n0.279814 0.464546 0.989382 O\n0.779814 0.035454 0.703929 O\n0.044156 0.637602 0.174419 O\n0.544156 0.862398 0.062020 O\n0.767740 0.928094 0.156239 O\n0.232261 0.071906 0.852074 O\n0.267740 0.571906 0.334333 O\n0.220187 -0.035454 0.519196 O\n",
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{
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"structure_string": "Tb1 Si2 Ir1 Rh1\n1.0\n3.815231 -0.002402 -4.321527\n-0.547674 3.775718 -4.321527\n0.002080 0.002402 5.764684\nTb Si Ir Rh\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621356 0.621356 0.000000 Si\n0.378645 0.378645 0.000000 Si\n0.250001 0.750000 0.500000 Ir\n0.750000 0.250000 0.499999 Rh\n",
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{
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"structure_string": "Sm1 Zn1 Ag1 P2\n1.0\n4.152227 0.000000 0.000000\n-2.076113 3.595934 0.000000\n0.000000 0.000000 6.752482\nSm Zn Ag P\n1 1 1 2\ndirect\n0.333334 0.666666 0.013775 Sm\n0.000000 0.000000 0.626671 Zn\n0.666667 0.333333 0.364028 Ag\n0.666667 0.333333 0.753028 P\n0.000000 0.000000 0.242496 P\n",
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}
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}