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{
"id": "jvasp-95007",
"created_at": "2022-09-04T14:36:21.041689Z",
"updated_at": "2022-09-04T14:36:21.041715Z",
"structure_string": "Cr2 H1 O4\n1.0\n2.449397 0.000000 4.086068\n-0.112973 2.952580 9.228862\n-0.112973 0.000000 9.228862\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000001 0.500000 -0.000000 Cr\n0.500002 0.500000 0.499999 H\n0.578966 0.000000 0.611943 O\n0.415781 0.500000 0.407438 O\n0.584223 0.500000 0.592561 O\n0.421037 0.000000 0.388056 O\n",
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{
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"structure_string": "K3 Cr1 F3\n1.0\n5.376961 0.602419 3.061823\n2.339625 4.890927 3.024719\n-0.015403 0.016440 6.080502\nK Cr F\n3 1 3\ndirect\n0.226228 0.275379 0.258082 K\n0.479741 0.530292 0.544885 K\n0.734680 0.783771 0.749538 K\n-0.019522 0.029504 0.041099 Cr\n0.194661 0.244057 0.828706 F\n0.978353 0.031624 0.680213 F\n0.765863 0.815376 0.257475 F\n",
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"created_at": "2022-09-04T14:35:44.836559Z",
"updated_at": "2022-09-04T14:35:44.836577Z",
"structure_string": "Li1 Fe2 Cl2 O2\n1.0\n3.892975 -0.000008 -0.000000\n-0.000017 8.052413 0.000034\n0.000000 0.000013 3.429971\nLi Fe Cl O\n1 2 2 2\ndirect\n0.500005 0.463752 0.000009 Li\n0.000000 0.062009 0.499995 Fe\n0.499999 0.902210 -0.000002 Fe\n0.000002 0.303783 -0.000004 Cl\n0.499995 0.659608 0.500004 Cl\n-0.000002 0.918250 0.999997 O\n0.500001 0.050382 0.499996 O\n",
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"density_atomic": 0.06510284022001103,
"volume": 107.5221906808356,
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"formula_full": "Li1 Fe2 Cl2 O2",
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{
"id": "jvasp-9501",
"created_at": "2022-09-04T14:37:09.545926Z",
"updated_at": "2022-09-04T14:37:09.545942Z",
"structure_string": "Zn2 Cr2 Si2 O10\n1.0\n5.163559 -0.063407 -0.041709\n-1.225568 5.275725 -0.007075\n-1.835678 -2.374026 6.310064\nZn Cr Si O\n2 2 2 10\ndirect\n0.306311 0.174367 0.794119 Zn\n0.702183 0.815493 0.234959 Zn\n0.004252 0.494918 0.514559 Cr\n0.004248 0.494925 0.014562 Cr\n0.690238 0.831573 0.752487 Si\n0.318267 0.158276 0.276623 Si\n0.742140 0.689270 0.933102 O\n0.947965 0.842619 0.652534 O\n0.266349 0.300582 0.096010 O\n0.060551 0.147213 0.376591 O\n0.629111 0.304879 0.466906 O\n0.323092 0.846224 0.165067 O\n0.379402 0.684940 0.562202 O\n0.685390 0.143623 0.864030 O\n0.896677 0.543878 0.254174 O\n0.111804 0.445963 0.774944 O\n",
"nsites": 16,
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"density": 4.384629399906571,
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"volume": 170.79252756999372,
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"formula_full": "Zn2 Cr2 Si2 O10",
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{
"id": "jvasp-95013",
"created_at": "2022-09-04T14:35:46.833605Z",
"updated_at": "2022-09-04T14:35:46.833628Z",
"structure_string": "Yb1 Fe2 O4\n1.0\n-1.730728 -2.997709 0.000000\n1.730728 -2.997709 0.000000\n-0.000000 -1.998473 8.150391\nYb Fe O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.214719 0.214719 0.355843 Fe\n0.785281 0.785281 0.644157 Fe\n0.131071 0.131071 0.606788 O\n0.868929 0.868929 0.393212 O\n0.287220 0.287220 0.138340 O\n0.712779 0.712779 0.861660 O\n",
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"volume": 84.5720252922591,
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{
"id": "jvasp-95014",
"created_at": "2022-09-04T14:35:49.230943Z",
"updated_at": "2022-09-04T14:35:49.230967Z",
"structure_string": "Ga2 Ni1 S4\n1.0\n-1.816250 -3.145760 -0.000071\n-1.816146 3.145701 -0.000027\n-0.000328 -0.000086 -12.048910\nGa Ni S\n2 1 4\ndirect\n0.333337 0.666667 0.217459 Ga\n0.666666 0.333334 0.782541 Ga\n0.000001 -0.000000 0.500000 Ni\n0.333337 0.666668 0.869945 S\n0.666666 0.333333 0.130055 S\n0.333310 0.666654 0.402958 S\n0.666693 0.333347 0.597042 S\n",
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"volume": 137.67733849526087,
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"formula_full": "Ga2 Ni1 S4",
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},
{
"id": "jvasp-9502",
"created_at": "2022-09-04T14:37:08.175188Z",
"updated_at": "2022-09-04T14:37:08.175217Z",
"structure_string": "Zn2 Sn2 F8\n1.0\n-5.084812 -0.011071 -0.025164\n-0.023848 -5.490643 -0.010583\n2.315529 2.012220 5.927319\nZn Sn F\n2 2 8\ndirect\n0.251792 0.249129 0.502167 Zn\n0.751801 0.749132 0.502166 Zn\n0.006654 0.511388 0.037151 Sn\n0.496950 0.986797 0.967185 Sn\n0.436514 0.709249 0.187371 F\n0.067065 0.789012 0.816961 F\n0.618010 0.089290 0.629979 F\n0.493164 0.601837 0.632347 F\n0.885628 0.409005 0.374348 F\n0.010424 0.896451 0.371973 F\n0.270963 0.222633 0.193517 F\n0.232693 0.275620 0.810845 F\n",
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"density": 5.2337089994245485,
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"volume": 165.0558543920917,
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"formula_full": "Zn2 Sn2 F8",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-95023",
"created_at": "2022-09-04T14:35:51.752237Z",
"updated_at": "2022-09-04T14:35:51.752262Z",
"structure_string": "V3 Te4\n1.0\n-0.000000 3.961116 -0.000000\n0.027165 -0.000000 6.889672\n6.208270 -1.980558 -3.283276\nV Te\n3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.743921 0.709350 0.487840 V\n0.256079 0.290649 0.512159 V\n0.635310 0.974047 0.270620 Te\n0.364690 0.025952 0.729379 Te\n0.887857 0.547801 0.775715 Te\n0.112143 0.452197 0.224285 Te\n",
"nsites": 7,
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"elements": [
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],
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"volume": 169.78188549446563,
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"formula_full": "V3 Te4",
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"spacegroup": 12
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{
"id": "jvasp-95026",
"created_at": "2022-09-04T14:35:49.508107Z",
"updated_at": "2022-09-04T14:35:49.508133Z",
"structure_string": "Zr2 Sb3 Pd1\n1.0\n3.980655 0.000000 0.000000\n0.000000 3.980655 0.000000\n0.000000 0.000000 8.640694\nZr Sb Pd\n2 3 1\ndirect\n0.500001 0.000000 0.738605 Zr\n0.000000 0.500001 0.261394 Zr\n0.500001 0.000000 0.377823 Sb\n0.000000 0.500001 0.622176 Sb\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500001 0.000000 Pd\n",
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"formula_full": "Zr2 Sb3 Pd1",
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{
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"created_at": "2022-09-04T14:35:52.031206Z",
"updated_at": "2022-09-04T14:35:52.031234Z",
"structure_string": "Rb4 S2\n1.0\n-2.761551 -4.783110 -0.000000\n-2.761551 4.783110 0.000000\n0.000000 -0.000000 -7.306339\nRb S\n4 2\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.666665 0.333334 0.250000 Rb\n0.333334 0.666665 0.750000 Rb\n0.666669 0.333331 0.750000 S\n0.333331 0.666669 0.250000 S\n",
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"volume": 193.01597336704336,
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{
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"created_at": "2022-09-04T14:37:11.441679Z",
"updated_at": "2022-09-04T14:37:11.441707Z",
"structure_string": "Mg2 Co2 P2 O10\n1.0\n5.420128 -0.237313 -0.100810\n-1.427334 4.899628 0.274326\n-1.677044 -1.599404 6.012222\nMg Co P O\n2 2 2 10\ndirect\n0.776413 0.618920 0.224355 Mg\n0.233718 0.372575 0.746546 Mg\n0.505067 0.995733 0.485440 Co\n0.505095 0.995755 0.985435 Co\n0.158783 0.283033 0.240242 P\n0.851378 0.708468 0.730655 P\n0.350481 0.325458 0.093494 O\n0.132230 -0.008130 0.305788 O\n0.659684 0.666047 0.877405 O\n0.877909 0.999621 0.665094 O\n0.750110 0.475452 0.518822 O\n0.132815 0.702026 0.867646 O\n0.260075 0.516042 0.452082 O\n0.877362 0.289504 0.103252 O\n0.435793 0.101328 0.728117 O\n0.574364 0.890198 0.242758 O\n",
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{
"id": "jvasp-95033",
"created_at": "2022-09-04T14:35:55.733087Z",
"updated_at": "2022-09-04T14:35:55.733112Z",
"structure_string": "Tm2 Sn4\n1.0\n0.000000 -0.000000 -4.325933\n-4.382198 0.000000 0.000000\n2.191099 8.131589 0.000000\nTm Sn\n2 4\ndirect\n0.749999 0.098737 0.197475 Tm\n0.250000 0.901263 0.802525 Tm\n0.749999 0.435828 0.871656 Sn\n0.250000 0.564172 0.128344 Sn\n0.749999 0.748697 0.497394 Sn\n0.250000 0.251304 0.502606 Sn\n",
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}