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{
"id": "jvasp-9616",
"created_at": "2022-09-04T14:38:28.424747Z",
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"structure_string": "Ta2 B2 O8\n1.0\n5.007557 0.004765 -1.464953\n-2.810880 4.144224 -1.464953\n-0.002522 -0.004765 5.217443\nTa B O\n2 2 8\ndirect\n0.125000 0.874999 0.250000 Ta\n0.875001 0.125000 0.750000 Ta\n0.625001 0.375000 0.250001 B\n0.375000 0.624999 0.750000 B\n0.799711 0.371147 0.071438 O\n0.728273 0.799709 0.928563 O\n0.271727 0.200290 0.071437 O\n0.200290 0.628852 0.928563 O\n0.200290 0.271726 0.571436 O\n0.628854 0.200290 0.428564 O\n0.799710 0.728273 0.428564 O\n0.371146 0.799709 0.571437 O\n",
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{
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{
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"structure_string": "H1 C1 Cl1\n1.0\n3.776787 0.000000 -0.000000\n-1.888394 3.270794 0.000000\n-0.000000 0.000000 2.921024\nH C Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 H\n0.000000 0.000000 0.000000 C\n0.333333 0.666665 0.000000 Cl\n",
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{
"id": "jvasp-69276",
"created_at": "2022-09-04T14:36:18.904799Z",
"updated_at": "2022-09-04T14:36:18.904820Z",
"structure_string": "Ba1 Zr4 Ge1\n1.0\n0.000000 4.252394 4.252394\n4.252394 -0.000000 4.252394\n4.252394 4.252394 0.000000\nBa Zr Ge\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.127904 0.624031 0.624031 Zr\n0.624031 0.624031 0.624031 Zr\n0.624031 0.127904 0.624031 Zr\n0.624031 0.624031 0.127904 Zr\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:37:31.520672Z",
"updated_at": "2022-09-04T14:37:31.520692Z",
"structure_string": "Cr1 Fe2 Sb1\n1.0\n2.977608 2.977608 -0.000000\n2.977608 0.000000 -2.977608\n-0.000000 2.977608 -2.977608\nCr Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "jvasp-116159",
"created_at": "2022-09-04T14:38:41.470196Z",
"updated_at": "2022-09-04T14:38:41.470229Z",
"structure_string": "Hf2 Cl1\n1.0\n4.173855 0.000000 0.000000\n0.000000 2.966768 0.000000\n0.000000 0.000000 5.907161\nHf Cl\n2 1\ndirect\n-0.033334 0.000000 0.747587 Hf\n-0.033334 0.000000 0.252414 Hf\n0.466668 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:22.263177Z",
"updated_at": "2022-09-04T14:36:22.263203Z",
"structure_string": "Cr3 Fe2 Sb3 O16\n1.0\n6.039143 0.002512 0.035755\n3.007203 5.237127 0.036471\n0.083581 0.047275 8.825163\nCr Fe Sb O\n3 2 3 16\ndirect\n0.669569 0.167405 0.213185 Cr\n0.167438 0.669537 0.213188 Cr\n0.827389 0.827384 0.699410 Cr\n0.340020 0.339998 0.482717 Fe\n0.679636 0.679607 0.002570 Fe\n0.168912 0.168880 0.211334 Sb\n0.826393 0.332726 0.707646 Sb\n0.332713 0.826400 0.707661 Sb\n0.829564 0.339340 0.104605 O\n0.665479 0.665511 0.583026 O\n0.525042 0.951389 0.831059 O\n0.951398 0.525031 0.831055 O\n0.166501 0.166501 0.592736 O\n0.837828 0.837797 0.116282 O\n0.057597 0.479699 0.350603 O\n0.998059 0.998038 0.321091 O\n0.165832 0.658021 0.596499 O\n0.990622 0.990633 0.816943 O\n0.514342 0.514327 0.841576 O\n0.339026 0.339006 0.099355 O\n0.469705 0.469652 0.341461 O\n0.658029 0.165819 0.596500 O\n0.479721 0.057565 0.350605 O\n0.339380 0.829524 0.104612 O\n",
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"formula_full": "Cr3 Fe2 Sb3 O16",
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{
"id": "jvasp-34417",
"created_at": "2022-09-04T14:38:16.511390Z",
"updated_at": "2022-09-04T14:38:16.511409Z",
"structure_string": "Ba3 Si6 N4 O9\n1.0\n3.654241 -6.329331 0.000000\n3.654241 6.329331 -0.000000\n0.000000 -0.000000 6.838524\nBa Si N O\n3 6 4 9\ndirect\n0.333333 0.666667 0.690989 Ba\n0.000000 0.000000 0.557118 Ba\n0.666667 0.333333 0.748311 Ba\n0.926992 0.378098 0.256657 Si\n0.213534 0.253143 0.043941 Si\n0.746857 0.960391 0.043941 Si\n0.039609 0.786466 0.043941 Si\n0.451106 0.073008 0.256657 Si\n0.621902 0.548894 0.256657 Si\n0.868854 0.575194 0.192895 N\n0.706339 0.131146 0.192895 N\n0.424806 0.293661 0.192895 N\n0.000000 0.000000 0.094666 N\n0.118718 0.411432 0.102669 O\n0.292714 0.881282 0.102669 O\n0.280068 0.287498 0.815846 O\n0.712501 0.992570 0.815846 O\n0.390838 0.013827 0.483586 O\n0.007430 0.719931 0.815846 O\n0.986173 0.377012 0.483586 O\n0.622987 0.609161 0.483586 O\n0.588568 0.707286 0.102669 O\n",
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"formula_full": "Ba3 Si6 N4 O9",
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{
"id": "jvasp-17161",
"created_at": "2022-09-04T14:37:38.797708Z",
"updated_at": "2022-09-04T14:37:38.797737Z",
"structure_string": "Mn2 Co1 Sb1\n1.0\n3.667532 -0.000000 2.117451\n1.222511 3.457783 2.117451\n-0.000000 -0.000000 4.234901\nMn Co Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.750000 Mn\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-43120",
"created_at": "2022-09-04T14:35:41.405565Z",
"updated_at": "2022-09-04T14:35:41.405594Z",
"structure_string": "Mn2 Nb2 P4 O16\n1.0\n0.000000 4.945833 0.010461\n6.054829 0.000000 0.000000\n0.000000 -0.350583 -9.963006\nMn Nb P O\n2 2 4 16\ndirect\n0.907164 0.250000 0.282026 Mn\n0.092836 0.750000 0.717975 Mn\n0.410457 0.750000 0.218331 Nb\n0.589542 0.250000 0.781669 Nb\n0.384685 0.250000 0.084565 P\n0.850473 0.750000 0.410663 P\n0.149527 0.250000 0.589338 P\n0.615315 0.750000 0.915435 P\n0.748629 0.954248 0.844141 O\n0.748629 0.545753 0.844141 O\n0.303321 0.447496 0.662996 O\n0.303321 0.052504 0.662996 O\n0.850424 0.250000 0.626364 O\n0.824993 0.750000 0.560679 O\n0.175007 0.250000 0.439321 O\n0.251371 0.454247 0.155859 O\n0.696679 0.552505 0.337004 O\n0.696679 0.947496 0.337004 O\n0.311085 0.750000 0.893311 O\n0.251371 0.045753 0.155859 O\n0.688915 0.250000 0.106690 O\n0.694342 0.750000 0.066156 O\n0.149576 0.750000 0.373636 O\n0.305658 0.250000 0.933844 O\n",
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"structure_string": "Nb2 Cr1 Se4\n1.0\n3.420777 -0.000000 -0.877977\n-0.676918 5.755483 -2.637415\n-0.005180 -0.026252 7.082826\nNb Cr Se\n2 1 4\ndirect\n0.257208 0.321047 0.514416 Nb\n0.742793 0.678953 0.485585 Nb\n0.000000 0.000000 0.000000 Cr\n0.900427 0.556037 0.800853 Se\n0.365037 0.024536 0.730074 Se\n0.099574 0.443963 0.199148 Se\n0.634963 0.975464 0.269927 Se\n",
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