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{
"id": "jvasp-12153",
"created_at": "2022-09-04T14:36:13.926366Z",
"updated_at": "2022-09-04T14:36:13.926393Z",
"structure_string": "Y2 C2 Br2\n1.0\n3.440916 1.892797 -0.598883\n-3.440916 1.892797 0.598883\n0.014698 0.000000 9.960681\nY C Br\n2 2 2\ndirect\n0.589511 0.410490 0.850795 Y\n0.410490 0.589511 0.149205 Y\n0.912727 0.087274 0.961390 C\n0.087274 0.912727 0.038610 C\n0.201506 0.798496 0.660155 Br\n0.798496 0.201506 0.339845 Br\n",
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{
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"structure_string": "Na4 Fe2 O6\n1.0\n2.597710 4.505109 -0.005778\n-2.597710 4.505109 0.005778\n-1.773405 0.000000 5.284737\nNa Fe O\n4 2 6\ndirect\n0.157153 0.157154 0.500000 Na\n0.842846 0.842847 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.667248 0.667248 -0.000000 Fe\n0.332752 0.332752 0.000000 Fe\n0.309455 0.690545 0.801802 O\n0.067426 0.554152 0.197182 O\n0.445848 0.932574 0.197182 O\n0.932573 0.445849 0.802818 O\n0.554151 0.067427 0.802818 O\n0.690544 0.309456 0.198199 O\n",
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{
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"updated_at": "2022-09-04T14:36:31.166610Z",
"structure_string": "Co1 Si2 Se4\n1.0\n0.000000 3.612856 0.000000\n0.051102 0.000000 6.265064\n5.967215 -1.806428 -2.898214\nCo Si Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.723402 0.705447 0.446803 Si\n0.276597 0.294553 0.553196 Si\n0.617789 0.973270 0.235576 Se\n0.382211 0.026729 0.764422 Se\n0.886781 0.566723 0.773561 Se\n0.113218 0.433276 0.226438 Se\n",
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"density_atomic": 0.05162179315306702,
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"formula_full": "Co1 Si2 Se4",
"formula_reduced": "Co(SiSe2)2",
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"spacegroup": 12
},
{
"id": "jvasp-94877",
"created_at": "2022-09-04T14:36:14.787718Z",
"updated_at": "2022-09-04T14:36:14.787744Z",
"structure_string": "Cr1 Rh2 Se4\n1.0\n-0.000000 3.716832 -0.000000\n-0.079852 -0.000000 6.546650\n5.533950 -1.858415 -3.081855\nCr Rh Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.740933 0.725559 0.481870 Rh\n0.259065 0.274441 0.518131 Rh\n0.630156 0.966417 0.260314 Se\n0.369842 0.033582 0.739686 Se\n0.874227 0.543489 0.748455 Se\n0.125772 0.456510 0.251546 Se\n",
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"volume": 133.7418049881737,
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"formula_full": "Cr1 Rh2 Se4",
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{
"id": "jvasp-93847",
"created_at": "2022-09-04T14:36:14.845002Z",
"updated_at": "2022-09-04T14:36:14.845035Z",
"structure_string": "U2 Pb4\n1.0\n0.211451 0.560115 -5.929144\n3.555919 0.238892 -1.004371\n-0.570403 -8.312806 2.816045\nU Pb\n2 4\ndirect\n0.654383 0.703481 0.061168 U\n0.345617 0.296520 0.938833 U\n0.178175 0.013829 0.206246 Pb\n0.821825 -0.013828 0.793754 Pb\n0.704188 0.349046 0.402731 Pb\n0.295812 0.650955 0.597269 Pb\n",
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{
"id": "jvasp-92471",
"created_at": "2022-09-04T14:36:14.846581Z",
"updated_at": "2022-09-04T14:36:14.846614Z",
"structure_string": "Li2 Cr1 O2\n1.0\n1.432752 3.189173 0.372072\n-1.429523 3.190594 0.372288\n0.000727 0.703431 5.403551\nLi Cr O\n2 1 2\ndirect\n0.326562 0.326570 0.633430 Li\n0.673429 0.673437 0.366570 Li\n0.000007 -0.000007 0.000000 Cr\n0.397765 0.397765 0.262866 O\n0.602237 0.602231 0.737135 O\n",
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"formula_full": "Li2 Cr1 O2",
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{
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"updated_at": "2022-09-04T14:36:15.083810Z",
"structure_string": "Ce6 Al4 I4\n1.0\n4.140610 0.000062 0.806313\n1.490585 9.289071 3.378778\n0.027669 0.065459 10.895128\nCe Al I\n6 4 4\ndirect\n0.191383 0.040342 0.573240 Ce\n0.464988 0.373576 0.692773 Ce\n0.246360 0.316643 0.187003 Ce\n0.747912 0.684624 0.815884 Ce\n0.529843 0.626972 0.309708 Ce\n0.803322 0.961339 0.428389 Ce\n0.924229 0.614992 0.532892 Al\n0.070974 0.387040 0.467362 Al\n0.657775 0.280960 0.399873 Al\n0.337425 0.720308 0.601167 Al\n0.861658 0.330998 0.942038 I\n0.581137 0.020719 0.813345 I\n0.132478 0.669525 0.061861 I\n0.413520 0.980310 0.189030 I\n",
"nsites": 14,
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"volume": 418.0076420744397,
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{
"id": "jvasp-43063",
"created_at": "2022-09-04T14:36:15.149298Z",
"updated_at": "2022-09-04T14:36:15.149323Z",
"structure_string": "Li3 Ti1 Ni2 O6\n1.0\n15.226693 -0.112015 -0.068512\n9.301055 2.727444 -0.041324\n9.301055 1.205525 2.446910\nLi Ti Ni O\n3 1 2 6\ndirect\n0.166667 0.500000 0.500001 Li\n0.490528 0.501327 0.501327 Li\n0.842804 0.498675 0.498675 Li\n0.666666 0.000001 0.000001 Ti\n0.995773 0.003743 0.003743 Ni\n0.337559 0.996258 0.996259 Ni\n0.257739 0.249947 0.249948 O\n0.568765 0.267116 0.267116 O\n0.075594 0.750053 0.750054 O\n0.887191 0.275158 0.275158 O\n0.446140 0.724844 0.724845 O\n0.764565 0.732885 0.732886 O\n",
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],
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"formula_full": "Li3 Ti1 Ni2 O6",
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{
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"created_at": "2022-09-04T14:36:15.688729Z",
"updated_at": "2022-09-04T14:36:15.688749Z",
"structure_string": "Ir2 Cl6\n1.0\n6.015134 0.003646 -0.990845\n-3.258393 5.056156 -0.990845\n-0.001667 -0.003061 5.951171\nIr Cl\n2 6\ndirect\n0.166573 0.833429 0.000001 Ir\n0.833428 0.166573 0.000001 Ir\n0.922614 0.573222 0.231119 Cl\n0.426778 0.077387 0.768883 Cl\n0.776254 0.776255 0.767080 Cl\n0.223746 0.223746 0.232922 Cl\n0.573222 0.922615 0.231119 Cl\n0.077386 0.426779 0.768883 Cl\n",
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{
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"structure_string": "Li1 N3\n1.0\n3.122627 -0.005097 0.742363\n1.401989 2.790207 0.742363\n-0.065205 -0.040136 4.877534\nLi N\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.615497 0.615495 0.260070 N\n0.384507 0.384504 0.739928 N\n0.500002 0.499999 0.499999 N\n",
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{
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"created_at": "2022-09-04T14:36:15.839989Z",
"updated_at": "2022-09-04T14:36:15.840010Z",
"structure_string": "Re3 P4\n1.0\n2.969504 -0.000000 -0.735461\n-0.597260 5.564835 -2.411506\n-0.000457 0.013371 6.360740\nRe P\n3 4\ndirect\n0.263817 0.318756 0.527636 Re\n0.736180 0.681243 0.472363 Re\n0.000000 0.000000 0.000000 Re\n0.086312 0.436131 0.172625 P\n0.913685 0.563868 0.827374 P\n0.352023 0.024926 0.704047 P\n0.647975 0.975073 0.295952 P\n",
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{
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"created_at": "2022-09-04T14:36:17.957723Z",
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"structure_string": "Ti1 Cr2 S4\n1.0\n-0.000000 3.447916 0.000000\n-0.075138 0.000000 6.089068\n5.654041 -1.723959 -2.979297\nTi Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.741456 0.729248 0.482912 Cr\n0.258544 0.270752 0.517088 Cr\n0.632387 0.967615 0.264774 S\n0.367614 0.032385 0.735226 S\n0.872457 0.546652 0.744913 S\n0.127543 0.453348 0.255086 S\n",
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}