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{
"id": "jvasp-25626",
"created_at": "2022-09-04T14:37:48.605375Z",
"updated_at": "2022-09-04T14:37:48.605407Z",
"structure_string": "Ba1 Si6 N8 O1\n1.0\n4.553892 -0.000000 1.744923\n1.871893 6.278793 1.929564\n-0.005854 0.012309 6.830101\nBa Si N O\n1 6 8 1\ndirect\n0.495713 0.500000 0.499999 Ba\n0.180036 0.644561 0.037605 Si\n0.686059 0.838905 0.838904 Si\n0.180037 0.037606 0.644561 Si\n0.363869 0.161095 0.161095 Si\n0.862204 0.962394 0.355438 Si\n0.862204 0.355439 0.962394 Si\n0.051388 0.726099 0.273900 N\n0.904317 0.953294 0.602890 N\n0.051388 0.273901 0.726099 N\n0.987888 0.187187 0.187187 N\n0.904317 0.602891 0.953293 N\n0.362262 0.812812 0.812812 N\n0.460502 0.397109 0.046706 N\n0.460502 0.046706 0.397109 N\n0.610815 0.000000 -0.000000 O\n",
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"structure_string": "Ba2 Nd4 Fe2 S10\n1.0\n7.042703 -0.000000 -3.508857\n-1.748203 6.822275 -3.508857\n-0.041046 -0.052891 8.739824\nBa Nd Fe S\n2 4 2 10\ndirect\n0.250000 0.250000 0.499999 Ba\n0.750000 0.749999 0.499999 Ba\n0.338851 0.161148 -0.000000 Nd\n0.161149 0.661148 -0.000000 Nd\n0.661148 0.838851 -0.000001 Nd\n0.838851 0.338851 -0.000001 Nd\n0.250000 0.749999 0.499999 Fe\n0.750000 0.250000 0.499999 Fe\n0.500000 0.500000 -0.000001 S\n0.487324 0.987324 0.272314 S\n0.987324 0.784990 0.272314 S\n0.284991 0.487324 0.272315 S\n0.012675 0.215009 0.727684 S\n0.715009 0.512675 0.727684 S\n0.512675 0.012676 0.727684 S\n0.215009 0.715009 0.727684 S\n0.784991 0.284991 0.272315 S\n0.000000 0.000000 0.000000 S\n",
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{
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"structure_string": "Ho1 Bi2 Cl1 O4\n1.0\n3.881436 0.000000 0.000000\n0.000000 3.881436 0.000000\n0.000000 0.000000 8.955496\nHo Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500001 0.720063 Bi\n0.500001 0.500001 0.279938 Bi\n0.000000 0.000000 0.500000 Cl\n0.500001 0.000000 0.847238 O\n0.500001 0.000000 0.152763 O\n0.000000 0.500001 0.152763 O\n0.000000 0.500001 0.847238 O\n",
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{
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"updated_at": "2022-09-04T14:37:48.571004Z",
"structure_string": "Dy2 Zn2 P2 O2\n1.0\n3.831422 0.004430 9.655819\n1.849322 3.355565 9.655819\n0.007490 0.004430 10.388194\nDy Zn P O\n2 2 2 2\ndirect\n0.379623 0.379623 0.379624 Dy\n0.620376 0.620376 0.620377 Dy\n0.196529 0.196529 0.196529 Zn\n0.803470 0.803470 0.803472 Zn\n0.111317 0.111317 0.111317 P\n0.888683 0.888682 0.888684 P\n0.305471 0.305471 0.305471 O\n0.694529 0.694528 0.694530 O\n",
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{
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"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
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],
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"formula_full": "Ba4 Ga2 Ge2 N2",
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{
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"created_at": "2022-09-04T14:37:40.735780Z",
"updated_at": "2022-09-04T14:37:40.735800Z",
"structure_string": "Sr2 Bi2 I2 O4\n1.0\n0.000000 5.925234 0.000001\n5.817488 0.000000 0.000000\n0.000000 -2.962543 -6.769170\nSr Bi I O\n2 2 2 4\ndirect\n0.594047 0.750000 0.188095 Sr\n0.405953 0.250000 0.811905 Sr\n0.924552 0.750000 0.849105 Bi\n0.075448 0.250000 0.150895 Bi\n0.255031 0.750000 0.510062 I\n0.744969 0.250000 0.489938 I\n0.233281 0.499999 0.000001 O\n0.233281 0.000001 0.000001 O\n0.766719 -0.000001 -0.000001 O\n0.766719 0.500001 -0.000001 O\n",
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"volume": 233.33312166009694,
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"formula_full": "Sr2 Bi2 I2 O4",
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{
"id": "jvasp-25797",
"created_at": "2022-09-04T14:37:39.326258Z",
"updated_at": "2022-09-04T14:37:39.326284Z",
"structure_string": "K2 Na2 Th2 F12\n1.0\n3.160307 -5.473812 -0.000000\n3.160307 5.473812 0.000000\n-0.000000 0.000000 7.862687\nK Na Th F\n2 2 2 12\ndirect\n0.333334 0.666667 0.390371 K\n0.666667 0.333334 0.609629 K\n0.000000 0.000000 0.236524 Na\n0.000000 0.000000 0.763477 Na\n0.666667 0.333334 0.123900 Th\n0.333334 0.666667 0.876100 Th\n0.612683 0.690293 0.098680 F\n0.724147 0.104799 0.326860 F\n0.690293 0.077611 0.901320 F\n0.387318 0.309708 0.901320 F\n0.619349 0.724148 0.673140 F\n0.077611 0.387318 0.098680 F\n0.922390 0.612683 0.901320 F\n0.895202 0.619350 0.326860 F\n0.309708 0.922390 0.098680 F\n0.380652 0.275853 0.326860 F\n0.275854 0.895202 0.673140 F\n0.104799 0.380651 0.673140 F\n",
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{
"id": "jvasp-23535",
"created_at": "2022-09-04T14:37:39.330345Z",
"updated_at": "2022-09-04T14:37:39.330369Z",
"structure_string": "Ce3 Ni2 B2 N3\n1.0\n3.526872 0.000000 -0.613309\n-0.106652 3.525259 -0.613309\n-0.006854 -0.007065 10.407994\nCe Ni B N\n3 2 2 3\ndirect\n0.626516 0.626515 0.253031 Ce\n0.373485 0.373484 0.746968 Ce\n0.000000 0.000000 0.000000 Ce\n0.250001 0.750000 0.500000 Ni\n0.750000 0.249999 0.500000 Ni\n0.808549 0.808548 0.617096 B\n0.191452 0.191451 0.382904 B\n0.880971 0.880969 0.761940 N\n0.500000 0.500000 -0.000000 N\n0.119030 0.119030 0.238060 N\n",
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{
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"structure_string": "Li1 Mg1 Sb1 Pt1\n1.0\n4.003363 0.000000 2.311343\n1.334454 3.774407 2.311343\n0.000000 0.000000 4.622686\nLi Mg Sb Pt\n1 1 1 1\ndirect\n0.749998 0.750001 0.750000 Li\n0.499999 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.249999 0.250000 0.250000 Pt\n",
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{
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"structure_string": "Lu1 Bi2 Cl1 O4\n1.0\n3.847767 0.000000 -0.000000\n-0.000000 3.847767 0.000000\n-0.000000 0.000000 8.926199\nLu Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.721762 Bi\n0.500000 0.500000 0.278238 Bi\n0.000000 0.000000 0.500000 Cl\n0.000000 0.500000 0.148918 O\n0.500000 0.000000 0.148918 O\n0.000000 0.500000 0.851082 O\n0.500000 0.000000 0.851082 O\n",
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"structure_string": "Dy4 Se4 Cl4 O12\n1.0\n6.965149 0.000000 0.000000\n-0.000000 7.124381 0.000000\n0.000000 0.000000 8.871151\nDy Se Cl O\n4 4 4 12\ndirect\n0.750000 0.395641 0.039319 Dy\n0.750000 0.895641 0.460681 Dy\n0.250000 0.604358 0.960681 Dy\n0.250000 0.104359 0.539319 Dy\n0.750000 0.300334 0.632176 Se\n0.250000 0.699666 0.367824 Se\n0.750000 0.800334 0.867824 Se\n0.250000 0.199666 0.132176 Se\n0.250000 0.949828 0.820321 Cl\n0.750000 0.550172 0.320321 Cl\n0.250000 0.449828 0.679679 Cl\n0.750000 0.050172 0.179679 Cl\n0.750000 0.249438 0.819208 O\n0.927742 0.647731 0.935055 O\n0.572258 0.647731 0.935055 O\n0.750000 0.749438 0.680792 O\n0.072258 0.352269 0.064945 O\n0.072258 0.852269 0.435055 O\n0.250000 0.750562 0.180792 O\n0.927742 0.147731 0.564945 O\n0.250000 0.250562 0.319208 O\n0.427742 0.352269 0.064945 O\n0.572258 0.147731 0.564945 O\n0.427742 0.852269 0.435055 O\n",
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{
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"structure_string": "Na2 Pr2 Se4 O16\n1.0\n-6.663530 -0.042739 -0.033413\n-0.073578 -7.176486 0.049755\n0.941813 1.133498 7.219169\nNa Pr Se O\n2 2 4 16\ndirect\n0.075977 0.686634 0.278959 Na\n0.924024 0.313366 0.721042 Na\n0.643190 0.806869 0.801602 Pr\n0.356811 0.193132 0.198399 Pr\n0.133292 0.815280 0.783536 Se\n0.422988 0.288697 0.711371 Se\n0.577013 0.711304 0.288630 Se\n0.866709 0.184720 0.216465 Se\n0.257787 0.743594 0.604797 O\n0.267407 0.305990 0.517045 O\n0.278575 0.287123 0.879667 O\n0.558855 0.094180 0.678146 O\n0.994811 0.647064 0.843638 O\n0.324504 0.887922 0.953334 O\n0.589344 0.466234 0.764831 O\n0.410657 0.533767 0.235170 O\n0.037448 0.013766 0.240715 O\n0.675497 0.112079 0.046667 O\n0.721426 0.712878 0.120334 O\n0.962553 0.986234 0.759286 O\n0.742214 0.256407 0.395204 O\n0.441146 0.905821 0.321855 O\n0.005190 0.352937 0.156363 O\n0.732594 0.694011 0.482956 O\n",
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]
}