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{
"id": "jvasp-99058",
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"structure_string": "Na4 Nb4 O12\n1.0\n5.635018 0.000000 0.000000\n0.000000 5.549815 0.000000\n0.000000 0.000000 7.834247\nNa Nb O\n4 4 12\ndirect\n0.200109 0.755784 0.000000 Na\n0.700109 0.244215 0.000000 Na\n0.250443 0.759602 0.500000 Na\n0.750443 0.240397 0.500000 Na\n0.227661 0.255792 0.250718 Nb\n0.727661 0.744207 0.250718 Nb\n0.227661 0.255792 0.749283 Nb\n0.727661 0.744207 0.749283 Nb\n0.178374 0.325658 0.500000 O\n0.678374 0.674342 0.500000 O\n0.491735 0.043870 0.289142 O\n0.907946 0.455508 0.786986 O\n0.407946 0.544491 0.213014 O\n0.407946 0.544491 0.786986 O\n0.907946 0.455508 0.213014 O\n0.491735 0.043870 0.710858 O\n0.991735 0.956129 0.289142 O\n0.991735 0.956129 0.710858 O\n0.710393 0.822332 0.000000 O\n0.210393 0.177667 0.000000 O\n",
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{
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"structure_string": "Fe4 Bi4 O12\n1.0\n5.422999 -0.003290 0.000000\n0.003252 5.422615 0.000000\n0.000000 0.000000 7.676353\nFe Bi O\n4 4 12\ndirect\n0.000001 0.500001 0.250000 Fe\n0.499998 -0.000000 0.750000 Fe\n-0.000002 0.500000 0.750000 Fe\n0.500002 0.000000 0.250000 Fe\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.749992 0.749995 0.250000 O\n0.750008 0.750007 0.750000 O\n0.749989 0.250005 0.750000 O\n0.249989 0.750005 0.750000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.750011 0.249996 0.250000 O\n-0.000000 0.500000 0.000000 O\n0.250008 0.250006 0.750000 O\n0.250011 0.749996 0.250000 O\n0.500000 0.000000 0.000000 O\n0.249992 0.249994 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:35:44.313568Z",
"structure_string": "Li5 Ti2 Co3 O10\n1.0\n5.066612 -0.041456 -0.008574\n0.791566 4.971296 -0.022060\n2.441285 2.015106 6.868774\nLi Ti Co O\n5 2 3 10\ndirect\n0.226877 0.501377 0.591883 Li\n0.423982 0.488657 0.201527 Li\n0.501318 0.005006 0.495578 Li\n0.782663 0.510977 0.403468 Li\n0.581468 0.509051 0.796036 Li\n0.112735 0.996432 0.296065 Ti\n0.882002 0.013451 0.700272 Ti\n0.309527 0.998789 0.887981 Co\n0.696006 0.002710 0.100802 Co\n0.000574 0.499997 0.999426 Co\n0.861371 0.778848 0.542291 O\n0.024035 0.760484 0.145866 O\n0.140262 0.226893 0.455421 O\n0.355712 0.241429 0.056763 O\n0.222330 0.744240 0.761746 O\n0.441008 0.769696 0.333543 O\n0.570250 0.247477 0.647845 O\n0.773290 0.243917 0.231832 O\n0.659536 0.760979 0.951517 O\n0.943253 0.240778 0.865262 O\n",
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{
"id": "jvasp-61194",
"created_at": "2022-09-04T14:35:44.400281Z",
"updated_at": "2022-09-04T14:35:44.400299Z",
"structure_string": "Nb12 Au8\n1.0\n7.124179 -0.000000 -0.000000\n-0.000000 7.124179 -0.000000\n0.000000 0.000000 7.124179\nNb Au\n12 8\ndirect\n0.125000 0.190785 0.440785 Nb\n0.309215 0.559215 0.625000 Nb\n0.690785 0.059215 0.875000 Nb\n0.190785 0.440785 0.125000 Nb\n0.559215 0.625000 0.309215 Nb\n0.059215 0.875000 0.690785 Nb\n0.809215 0.940785 0.375000 Nb\n0.440785 0.125000 0.190785 Nb\n0.625000 0.309215 0.559215 Nb\n0.875000 0.690785 0.059215 Nb\n0.375000 0.809215 0.940785 Nb\n0.940785 0.375000 0.809215 Nb\n0.299841 0.200159 0.799842 Au\n0.049841 0.049841 0.049841 Au\n0.450159 0.950159 0.549842 Au\n0.950159 0.549842 0.450159 Au\n0.549842 0.450159 0.950159 Au\n0.799842 0.299841 0.200159 Au\n0.700159 0.700159 0.700159 Au\n0.200159 0.799842 0.299841 Au\n",
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{
"id": "jvasp-91336",
"created_at": "2022-09-04T14:35:47.417469Z",
"updated_at": "2022-09-04T14:35:47.417478Z",
"structure_string": "Ba4 Ge8 P8\n1.0\n7.714454 0.000000 0.000000\n0.000000 7.714454 0.000000\n0.000000 0.000000 8.598950\nBa Ge P\n4 8 8\ndirect\n0.000000 0.000000 0.998024 Ba\n0.500000 0.000000 0.026853 Ba\n0.000000 0.500000 0.526853 Ba\n0.000000 0.000000 0.498024 Ba\n0.500000 0.668626 0.365559 Ge\n0.668626 0.500000 0.865559 Ge\n0.331373 0.500000 0.865559 Ge\n0.500000 0.331373 0.365559 Ge\n0.500000 0.833599 0.615137 Ge\n0.166400 0.500000 0.115137 Ge\n0.833599 0.500000 0.115137 Ge\n0.500000 0.166400 0.615137 Ge\n0.247216 0.767075 0.756533 P\n0.767075 0.752783 0.256533 P\n0.232924 0.247216 0.256533 P\n0.752783 0.232924 0.756533 P\n0.767075 0.247216 0.256533 P\n0.232924 0.752783 0.256533 P\n0.752783 0.767075 0.756533 P\n0.247216 0.232924 0.756533 P\n",
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{
"id": "jvasp-42269",
"created_at": "2022-09-04T14:35:47.295460Z",
"updated_at": "2022-09-04T14:35:47.295470Z",
"structure_string": "Li4 Fe4 F12\n1.0\n5.492570 4.454295 0.074820\n-5.492570 4.454295 -0.074820\n-1.961722 0.000000 5.048208\nLi Fe F\n4 4 12\ndirect\n0.207148 0.616723 0.817609 Li\n0.383276 0.792851 0.317609 Li\n0.616723 0.207148 0.682391 Li\n0.792851 0.383276 0.182391 Li\n0.079233 0.079233 0.750000 Fe\n0.715845 0.715844 0.750000 Fe\n0.284154 0.284154 0.250000 Fe\n0.920766 0.920766 0.250000 Fe\n0.865417 0.659068 0.143207 F\n0.574695 0.287537 0.316685 F\n0.340931 0.134582 0.643207 F\n0.712462 0.425304 0.816686 F\n0.287537 0.574695 0.183315 F\n0.205289 0.981545 0.171220 F\n0.425304 0.712462 0.683315 F\n0.134582 0.340931 0.856794 F\n0.794710 0.018453 0.828781 F\n0.018454 0.794710 0.671220 F\n0.659068 0.865417 0.356793 F\n0.981546 0.205289 0.328780 F\n",
"nsites": 20,
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],
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{
"id": "jvasp-48232",
"created_at": "2022-09-04T14:35:44.608969Z",
"updated_at": "2022-09-04T14:35:44.608994Z",
"structure_string": "Li1 Mn7 O12\n1.0\n4.969881 0.019429 -0.069343\n2.486976 4.302911 0.069343\n-0.916316 1.580819 9.664281\nLi Mn O\n1 7 12\ndirect\n0.928693 0.928693 0.750000 Li\n0.072940 0.072940 0.250000 Mn\n0.254861 0.254861 0.750000 Mn\n0.418251 0.418251 0.250000 Mn\n0.579459 0.579459 0.750000 Mn\n0.520072 -0.001037 0.509680 Mn\n0.744485 0.744485 0.250000 Mn\n-0.001037 0.520073 0.990320 Mn\n0.710190 0.455791 0.143619 O\n0.625860 0.854117 0.862609 O\n0.455791 0.710190 0.356381 O\n0.776736 0.032458 0.360405 O\n0.244581 0.966230 0.636704 O\n0.032458 0.776736 0.139595 O\n0.346015 0.144183 0.139698 O\n0.299297 0.527134 0.856220 O\n0.966229 0.244581 0.863296 O\n0.144183 0.346015 0.360302 O\n0.527134 0.299297 0.643780 O\n0.854116 0.625860 0.637390 O\n",
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"volume": 205.11119438562142,
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"formula_full": "Li1 Mn7 O12",
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{
"id": "jvasp-43622",
"created_at": "2022-09-04T14:35:43.951540Z",
"updated_at": "2022-09-04T14:35:43.951551Z",
"structure_string": "Al4 Fe4 O12\n1.0\n4.857429 0.000000 0.000000\n-0.000000 5.116886 0.000000\n0.000000 0.000000 7.351298\nAl Fe O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.024807 0.945166 0.750000 Fe\n0.475193 0.445165 0.750000 Fe\n0.524808 0.554835 0.250000 Fe\n0.975193 0.054835 0.250000 Fe\n0.808904 0.804794 0.071639 O\n0.691097 0.304794 0.428361 O\n0.691097 0.304794 0.071639 O\n0.638219 0.057893 0.750000 O\n0.361781 0.942108 0.250000 O\n0.191097 0.195207 0.571640 O\n0.308904 0.695207 0.928361 O\n0.191097 0.195207 0.928361 O\n0.808904 0.804794 0.428361 O\n0.138219 0.442107 0.250000 O\n0.308904 0.695207 0.571640 O\n0.861781 0.557894 0.750000 O\n",
"nsites": 20,
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"volume": 182.71585345254994,
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"spacegroup": 62
},
{
"id": "jvasp-48320",
"created_at": "2022-09-04T14:35:45.288995Z",
"updated_at": "2022-09-04T14:35:45.289024Z",
"structure_string": "Mn6 O4 F10\n1.0\n6.314213 0.007312 -0.007919\n-0.008272 7.021848 -0.005295\n-3.143422 -3.507496 6.925786\nMn O F\n6 4 10\ndirect\n0.110403 0.109405 0.216426 Mn\n0.502025 0.000951 0.499714 Mn\n0.002035 0.000978 0.499723 Mn\n0.502073 0.500966 0.499751 Mn\n0.002064 0.500990 0.499750 Mn\n0.893680 0.892603 0.783040 Mn\n0.979337 0.200843 0.399400 O\n0.424398 0.200805 0.399363 O\n0.024751 0.801131 0.600069 O\n0.579689 0.801126 0.600101 O\n0.854916 0.554247 0.705448 F\n0.196883 0.001018 0.999698 F\n0.807198 0.001065 -0.000235 F\n0.149236 0.447743 0.294058 F\n0.854880 0.153331 0.705387 F\n0.332519 0.118636 0.660655 F\n0.671607 0.457797 0.338821 F\n0.671556 0.883285 0.338792 F\n0.332520 0.544144 0.660670 F\n0.149147 0.848627 0.294037 F\n",
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},
{
"id": "jvasp-22644",
"created_at": "2022-09-04T14:35:46.297583Z",
"updated_at": "2022-09-04T14:35:46.297608Z",
"structure_string": "Si10 C10\n1.0\n3.100305 0.000000 0.000000\n-1.550152 2.684942 -0.000000\n0.000000 -0.000000 25.369412\nSi C\n10 10\ndirect\n0.666668 0.333333 0.199868 Si\n0.333334 0.666666 0.100011 Si\n0.666668 0.333333 0.800073 Si\n0.333334 0.666666 0.899930 Si\n0.000000 0.000000 0.700029 Si\n0.333334 0.666666 0.499967 Si\n0.666668 0.333333 0.600002 Si\n0.000000 0.000000 0.299903 Si\n0.666668 0.333333 0.399936 Si\n0.000000 0.000000 0.999964 Si\n0.000000 0.000000 0.375116 C\n0.000000 0.000000 0.775238 C\n0.000000 0.000000 0.075178 C\n0.666668 0.333333 0.674949 C\n0.666668 0.333333 0.274838 C\n0.333334 0.666666 0.174987 C\n0.333334 0.666666 0.575178 C\n0.666668 0.333333 0.474884 C\n0.333334 0.666666 0.974900 C\n0.666668 0.333333 0.875048 C\n",
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"volume": 211.1785145586596,
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},
{
"id": "jvasp-48198",
"created_at": "2022-09-04T14:35:43.716772Z",
"updated_at": "2022-09-04T14:35:43.716789Z",
"structure_string": "Li4 Mn1 Sb2 W1 O12\n1.0\n-5.071118 0.001100 0.000752\n0.001141 -5.403141 -0.039549\n0.007487 0.582313 7.391134\nLi Mn Sb W O\n4 1 2 1 12\ndirect\n0.996971 0.444290 0.300323 Li\n0.499500 0.910546 0.772043 Li\n0.002088 0.565273 0.707722 Li\n0.498904 0.896710 0.309095 Li\n0.501485 0.492204 0.499035 Mn\n0.003460 0.006377 0.506325 Sb\n0.499828 0.486273 -0.001085 Sb\n-0.000801 -0.001514 0.006860 W\n0.683154 0.166922 0.929207 O\n0.816777 0.328896 0.554535 O\n0.166905 0.314434 0.066728 O\n0.630226 0.516663 0.251711 O\n0.372765 0.516528 0.746518 O\n0.132689 -0.002006 0.760455 O\n0.199714 0.691787 0.435534 O\n0.311161 0.820648 0.062049 O\n0.866435 0.005479 0.245129 O\n0.315342 0.197995 0.427195 O\n0.817075 0.690250 0.931724 O\n0.686323 0.809849 0.560083 O\n",
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"volume": 202.4000512030975,
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"formula_full": "Li4 Mn1 Sb2 W1 O12",
"formula_reduced": "Li4MnSb2WO12",
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},
{
"id": "jvasp-89300",
"created_at": "2022-09-04T14:35:41.032764Z",
"updated_at": "2022-09-04T14:35:41.032791Z",
"structure_string": "Mn2 Nb6 O12\n1.0\n5.823825 0.000000 3.072916\n1.910220 5.884311 3.434879\n-0.011095 0.007959 7.076176\nMn Nb O\n2 6 12\ndirect\n0.747997 -0.000000 0.000000 Mn\n0.252003 -0.000000 0.000000 Mn\n0.223603 0.497376 0.055417 Nb\n0.201068 0.500000 0.500001 Nb\n0.798932 0.500000 0.500001 Nb\n0.223603 0.055417 0.497377 Nb\n0.776397 0.944583 0.502625 Nb\n0.776397 0.502624 0.944584 Nb\n0.646418 0.853581 0.853582 O\n0.353582 0.146419 0.146419 O\n0.143771 0.829841 0.439014 O\n0.412626 0.560987 0.170159 O\n0.143771 0.439013 0.829842 O\n0.587374 0.829841 0.439014 O\n0.856229 0.170159 0.560987 O\n0.587374 0.439013 0.829842 O\n0.856229 0.560987 0.170159 O\n0.412626 0.170159 0.560987 O\n0.858017 0.141984 0.141984 O\n0.141983 0.858016 0.858017 O\n",
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}
]
}