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{
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{
"id": "jvasp-50177",
"created_at": "2022-09-04T14:37:10.862981Z",
"updated_at": "2022-09-04T14:37:10.862993Z",
"structure_string": "Li2 Nb1 O1 F5\n1.0\n4.972771 -0.003652 0.013700\n-2.489548 4.312091 -0.027440\n0.012649 -0.021952 4.599575\nLi Nb O F\n2 1 1 5\ndirect\n0.319305 0.653021 0.491914 Li\n0.680700 0.333716 0.491907 Li\n-0.000002 0.974882 0.980215 Nb\n0.999999 0.685329 0.751264 O\n-0.000001 0.324373 0.257994 F\n0.326498 0.331778 0.756366 F\n0.325618 0.008620 0.256998 F\n0.674384 0.683007 0.256991 F\n0.673488 0.005276 0.756357 F\n",
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{
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"created_at": "2022-09-04T14:37:11.147630Z",
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"structure_string": "Bi2 O3\n1.0\n3.738752 0.022512 -0.472749\n-1.757392 3.410997 1.062431\n-0.956597 -0.431026 7.142686\nBi O\n2 3\ndirect\n0.006644 -0.018510 -0.013357 Bi\n0.561781 0.563324 0.505621 Bi\n0.680363 0.463565 0.843556 O\n0.897234 0.203470 0.532805 O\n0.459975 0.710150 0.157375 O\n",
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{
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"created_at": "2022-09-04T14:37:11.903276Z",
"updated_at": "2022-09-04T14:37:11.903298Z",
"structure_string": "Li1 Co5 O3 F5\n1.0\n-4.253665 4.427895 -0.178339\n4.302409 -0.128030 4.302409\n4.124070 4.299865 0.048744\nLi Co O F\n1 5 3 5\ndirect\n0.623001 0.741835 0.623002 Li\n0.600191 0.216723 0.146649 Co\n0.963254 0.045554 0.963256 Co\n0.624101 0.243275 0.624103 Co\n0.289650 0.487312 0.289651 Co\n0.146648 0.763181 0.600192 Co\n0.399770 0.228055 0.399771 O\n0.847551 0.297290 0.847554 O\n0.390339 0.757312 0.390340 O\n0.873239 0.226280 0.381386 F\n0.875727 0.760539 0.373283 F\n0.373282 0.258092 0.875729 F\n0.861860 0.740113 0.861862 F\n0.381385 0.734427 0.873240 F\n",
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"volume": 152.9624756075763,
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"formula_full": "Li1 Co5 O3 F5",
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{
"id": "jvasp-109376",
"created_at": "2022-09-04T14:38:11.766723Z",
"updated_at": "2022-09-04T14:38:11.766751Z",
"structure_string": "Nb5 N2 O2\n1.0\n4.241878 0.001923 3.389393\n1.982028 3.750346 3.389393\n-0.018947 -0.011423 6.844825\nNb N O\n5 2 2\ndirect\n0.581876 0.581877 0.621856 Nb\n0.771477 0.771477 0.821842 Nb\n0.999381 0.999382 0.979007 Nb\n0.222356 0.222356 0.139148 Nb\n0.399783 0.399784 0.451482 Nb\n0.485545 0.485545 0.040206 N\n0.696814 0.696814 0.210179 N\n0.907713 0.907713 0.384747 O\n0.135056 0.135057 0.551530 O\n",
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"elements": [
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"density": 7.976932799272825,
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"formula_full": "Nb5 N2 O2",
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{
"id": "jvasp-81499",
"created_at": "2022-09-04T14:37:12.106279Z",
"updated_at": "2022-09-04T14:37:12.106303Z",
"structure_string": "Ag1 Br1 O2\n1.0\n-0.177308 3.809130 -2.189502\n-5.155430 -0.033982 -0.020765\n-0.021054 0.008074 4.426689\nAg Br O\n1 1 2\ndirect\n0.553642 0.867275 0.656719 Ag\n0.886338 0.999712 0.320359 Br\n0.298741 0.503343 0.019071 O\n0.976598 0.470819 0.864159 O\n",
"nsites": 4,
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{
"id": "jvasp-78526",
"created_at": "2022-09-04T14:37:12.140293Z",
"updated_at": "2022-09-04T14:37:12.140302Z",
"structure_string": "Si2 O1\n1.0\n-2.304434 -2.989415 0.889980\n-1.436692 2.488423 -0.000000\n0.834756 0.481948 -4.563646\nSi O\n2 1\ndirect\n0.703510 0.351754 0.932809 Si\n0.426913 0.713455 0.214135 Si\n0.536175 0.268087 0.513057 O\n",
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"elements": [
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"volume": 43.30514015288283,
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"formula_full": "Si2 O1",
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{
"id": "jvasp-49884",
"created_at": "2022-09-04T14:37:12.559845Z",
"updated_at": "2022-09-04T14:37:12.559873Z",
"structure_string": "Hf6 N4 O6\n1.0\n-3.996384 -0.008639 0.000440\n1.986560 5.297025 0.004545\n-0.001158 -0.112820 -10.619603\nHf N O\n6 4 6\ndirect\n0.816392 0.633413 0.751208 Hf\n0.855808 0.712236 0.059367 Hf\n0.863389 0.727446 0.444174 Hf\n0.191977 0.384568 0.250631 Hf\n0.143043 0.286681 0.944119 Hf\n0.137196 0.275011 0.559959 Hf\n0.700331 0.401267 0.920680 N\n0.953718 0.908246 0.615447 N\n0.296031 0.592723 0.425275 N\n0.299448 0.599513 0.080339 N\n0.689837 0.380301 0.580120 O\n0.751474 0.503575 0.248183 O\n0.954766 0.910095 0.887507 O\n0.246470 0.493559 0.742443 O\n0.044242 0.089121 0.115241 O\n0.042549 0.085575 0.379653 O\n",
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"density": 9.040893389957214,
"density_atomic": 0.07123096768150161,
"volume": 224.6214044366427,
"volume_molar": 8.454385720164694,
"formula_full": "Hf6 N4 O6",
"formula_reduced": "Hf3N2O3",
"formula_anonymous": "A2B3C3",
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"spacegroup": 8
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{
"id": "jvasp-34255",
"created_at": "2022-09-04T14:37:13.373280Z",
"updated_at": "2022-09-04T14:37:13.373292Z",
"structure_string": "Rb4 C1 O4\n1.0\n6.521376 -0.423738 -1.228156\n-1.447212 5.644090 0.147337\n-0.744973 0.127941 5.779318\nRb C O\n4 1 4\ndirect\n0.640892 0.058811 0.575244 Rb\n0.093971 0.987795 0.429243 Rb\n0.640892 0.575244 0.058811 Rb\n0.093971 0.429242 0.987796 Rb\n0.411009 0.981659 0.981660 C\n0.324872 0.878605 0.172218 O\n0.324872 0.172217 0.878605 O\n0.655552 0.075884 0.075884 O\n0.352396 0.800302 0.800303 O\n",
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{
"id": "jvasp-10956",
"created_at": "2022-09-04T14:37:13.538107Z",
"updated_at": "2022-09-04T14:37:13.538138Z",
"structure_string": "Mg1 V4 O8\n1.0\n2.833471 0.000003 0.581204\n1.306796 7.148687 0.827506\n-0.046292 0.473820 7.422563\nMg V O\n1 4 8\ndirect\n0.334069 0.133161 0.198836 Mg\n0.625339 0.175590 0.573865 V\n0.142124 0.509705 0.206176 V\n0.836709 0.489275 0.837435 V\n0.353425 0.804201 0.489079 V\n0.855408 0.669336 0.619993 O\n0.459433 0.332711 0.748550 O\n0.530950 0.641594 0.296632 O\n0.143807 0.299844 0.412674 O\n0.170864 0.006694 0.651723 O\n0.789208 0.324771 0.096948 O\n0.839205 0.977114 0.344612 O\n0.216952 0.612113 0.954119 O\n",
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{
"id": "jvasp-10957",
"created_at": "2022-09-04T14:37:13.765153Z",
"updated_at": "2022-09-04T14:37:13.765173Z",
"structure_string": "Ca1 V4 O8\n1.0\n2.972196 -0.001414 -0.003461\n-1.482557 6.575072 0.264509\n-1.477650 -0.213052 7.154596\nCa V O\n1 4 8\ndirect\n0.496024 0.054616 0.934500 Ca\n0.198569 0.558419 0.835886 V\n0.378043 0.226014 0.527134 V\n0.659499 0.838801 0.477460 V\n0.842469 0.506439 0.175709 V\n0.470552 0.653623 0.284720 O\n0.174071 0.723415 0.622003 O\n0.869328 0.340068 0.395706 O\n0.568660 0.401176 0.733297 O\n0.842140 0.721228 0.960315 O\n0.872706 0.069144 0.673415 O\n0.194874 0.340520 0.046340 O\n0.179148 0.992817 0.362745 O\n",
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{
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"created_at": "2022-09-04T14:37:13.814283Z",
"updated_at": "2022-09-04T14:37:13.814307Z",
"structure_string": "K4 C1 O4\n1.0\n5.638897 -0.547619 -0.721712\n-1.769282 5.382084 -0.721747\n-0.220186 -0.275117 5.611274\nK C O\n4 1 4\ndirect\n0.338369 0.338368 0.255689 K\n0.789326 0.789325 0.032726 K\n0.138178 0.600216 0.698407 K\n0.600215 0.138178 0.698408 K\n0.985167 0.985166 0.539197 C\n0.129437 0.129437 0.791439 O\n0.759974 0.759973 0.547478 O\n0.148554 0.903638 0.412869 O\n0.903639 0.148553 0.412870 O\n",
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{
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"created_at": "2022-09-04T14:37:14.348006Z",
"updated_at": "2022-09-04T14:37:14.348025Z",
"structure_string": "Mn6 O11 F1\n1.0\n-4.495794 4.495794 2.883639\n-0.030707 4.464474 -2.883075\n-4.464474 0.030707 -2.883075\nMn O F\n6 11 1\ndirect\n0.830739 0.668679 0.668679 Mn\n0.332167 0.651908 0.651908 Mn\n0.667976 0.338324 0.338324 Mn\n0.161051 0.330136 0.330136 Mn\n0.512455 0.004478 0.004478 Mn\n0.987706 0.002422 0.002422 Mn\n0.667107 0.639960 0.032021 O\n0.334625 0.969027 0.360879 O\n0.000920 0.304632 0.697269 O\n0.038103 0.767963 0.767963 O\n0.370391 0.430306 0.430306 O\n0.630276 0.565112 0.565112 O\n0.960893 0.232870 0.232870 O\n0.000920 0.697269 0.304632 O\n0.334625 0.360879 0.969027 O\n0.667107 0.032021 0.639960 O\n0.701437 0.105901 0.105901 O\n0.301505 0.898099 0.898099 F\n",
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}