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"results": [
{
"id": "jvasp-31888",
"created_at": "2022-09-04T14:37:12.485101Z",
"updated_at": "2022-09-04T14:37:12.485119Z",
"structure_string": "Mo2 Se4 Cl24\n1.0\n8.064573 0.020631 -2.719102\n-1.733330 7.876124 -2.719102\n-0.010549 -0.013157 12.106578\nMo Se Cl\n2 4 24\ndirect\n0.123354 0.623354 0.246708 Mo\n0.873354 0.873354 0.746708 Mo\n0.935725 0.994844 0.413116 Se\n0.244844 0.685725 0.913116 Se\n0.477389 0.418271 0.413116 Se\n0.668271 0.227388 0.913116 Se\n0.594802 0.756730 0.593577 Cl\n0.239200 0.422701 0.907201 Cl\n0.067066 0.246046 0.567125 Cl\n0.758595 0.912367 0.907364 Cl\n0.086847 0.748775 0.093577 Cl\n0.148767 0.994996 0.907364 Cl\n0.496046 0.817066 0.067125 Cl\n0.908433 0.080706 0.253795 Cl\n0.399839 0.585846 0.247418 Cl\n0.734500 0.418000 0.407201 Cl\n0.847578 0.661571 0.247418 Cl\n0.345361 0.173088 0.253795 Cl\n0.571079 0.250059 0.067125 Cl\n0.668000 0.484500 0.907201 Cl\n0.672701 0.989200 0.407201 Cl\n0.330706 0.658433 0.753795 Cl\n0.998774 0.836846 0.593578 Cl\n0.500059 0.321078 0.567125 Cl\n0.835846 0.149839 0.747418 Cl\n0.162367 0.508596 0.407364 Cl\n0.244996 0.898767 0.407364 Cl\n0.006730 0.344802 0.093577 Cl\n0.423088 0.095361 0.753795 Cl\n0.911571 0.597578 0.747418 Cl\n",
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{
"id": "jvasp-26823",
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"structure_string": "Ba6 Ni2 Ir4 O18\n1.0\n2.892361 -5.009717 0.000000\n2.892361 5.009717 0.000000\n0.000000 -0.000000 14.329685\nBa Ni Ir O\n6 2 4 18\ndirect\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.085277 Ba\n0.666667 0.333333 0.585278 Ba\n0.666667 0.333333 0.914723 Ba\n0.333333 0.666667 0.414723 Ba\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666667 0.656429 Ir\n0.666667 0.333333 0.156429 Ir\n0.666667 0.333333 0.343571 Ir\n0.333333 0.666667 0.843571 Ir\n0.664217 0.832108 0.918226 O\n0.335783 0.167892 0.418225 O\n0.832108 0.167892 0.081775 O\n0.832108 0.664217 0.418225 O\n0.832108 0.167892 0.418225 O\n0.167892 0.335783 0.581775 O\n0.664217 0.832108 0.581775 O\n0.335783 0.167892 0.081775 O\n0.975777 0.487889 0.250000 O\n0.167892 0.832108 0.581775 O\n0.512111 0.487889 0.250000 O\n0.487889 0.975777 0.750000 O\n0.024222 0.512111 0.750000 O\n0.167892 0.832108 0.918226 O\n0.512111 0.024222 0.250000 O\n0.487889 0.512111 0.750000 O\n0.832108 0.664217 0.081775 O\n0.167892 0.335783 0.918226 O\n",
"nsites": 30,
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"formula_full": "Ba6 Ni2 Ir4 O18",
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{
"id": "jvasp-23297",
"created_at": "2022-09-04T14:37:52.381948Z",
"updated_at": "2022-09-04T14:37:52.381961Z",
"structure_string": "Sr4 Co2 Se6 O18\n1.0\n7.145161 -0.043212 -0.003347\n-0.765716 7.728670 0.039019\n-2.258560 -2.215930 8.031710\nSr Co Se O\n4 2 6 18\ndirect\n0.620974 0.486426 0.806958 Sr\n0.379026 0.513574 0.193042 Sr\n0.759963 0.912182 0.604884 Sr\n0.240036 0.087818 0.395115 Sr\n0.090939 0.340725 0.751131 Co\n0.909061 0.659275 0.248869 Co\n0.781627 0.365307 0.410168 Se\n0.102229 0.796030 0.966870 Se\n0.629608 0.923183 0.198232 Se\n0.897770 0.203970 0.033130 Se\n0.218372 0.634694 0.589831 Se\n0.370391 0.076817 0.801768 Se\n0.815567 0.408182 0.072716 O\n0.336695 0.296930 0.887907 O\n0.849668 0.000309 0.352558 O\n0.518187 0.128554 0.683431 O\n0.481812 0.871446 0.316569 O\n0.127694 0.243993 0.169520 O\n0.872305 0.756007 0.830480 O\n0.184432 0.591818 0.927284 O\n0.229005 0.406815 0.599783 O\n0.059479 0.806353 0.158192 O\n0.533272 0.290493 0.351578 O\n0.466728 0.709507 0.648422 O\n0.770994 0.593185 0.400217 O\n0.663305 0.703070 0.112093 O\n0.839193 0.381226 0.622702 O\n0.160807 0.618774 0.377298 O\n0.940520 0.193647 0.841807 O\n0.150332 -0.000309 0.647441 O\n",
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{
"id": "jvasp-117195",
"created_at": "2022-09-04T14:38:49.354834Z",
"updated_at": "2022-09-04T14:38:49.354856Z",
"structure_string": "Sr4 Pr2 Fe6 O18\n1.0\n5.414683 -0.001073 0.034149\n2.712013 4.686553 0.034149\n-0.042284 -0.024379 13.272983\nSr Pr Fe O\n4 2 6 18\ndirect\n0.833082 0.833083 0.082001 Sr\n0.166273 0.166273 0.418163 Sr\n0.166918 0.166917 0.917999 Sr\n0.833727 0.833727 0.581837 Sr\n0.502095 0.502095 0.750060 Pr\n0.497905 0.497905 0.249940 Pr\n0.165937 0.165937 0.665874 Fe\n0.834063 0.834063 0.334126 Fe\n0.499999 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.167346 0.167346 0.165898 Fe\n0.832654 0.832654 0.834102 Fe\n0.670922 0.179967 0.909159 O\n0.327917 0.327917 0.077712 O\n0.343856 0.343856 0.595071 O\n0.009016 0.009015 0.257788 O\n0.672083 0.672083 0.922288 O\n0.342901 0.836136 0.582082 O\n0.012532 0.509124 0.246058 O\n0.490876 0.987468 0.753941 O\n0.987468 0.490876 0.753941 O\n0.820032 0.329078 0.090840 O\n0.836136 0.342901 0.582082 O\n0.509124 0.012532 0.246058 O\n0.179968 0.670921 0.909159 O\n0.656144 0.656144 0.404929 O\n0.657099 0.163864 0.417917 O\n0.329078 0.820033 0.090840 O\n0.163864 0.657099 0.417917 O\n0.990984 0.990985 0.742212 O\n",
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"volume": 336.8654990398473,
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},
{
"id": "jvasp-117015",
"created_at": "2022-09-04T14:38:49.190248Z",
"updated_at": "2022-09-04T14:38:49.190281Z",
"structure_string": "Na6 B4 P2 O10 F8\n1.0\n6.940446 0.000893 0.000000\n-3.695055 5.875063 0.000000\n-0.000000 -0.000000 9.012267\nNa B P O F\n6 4 2 10 8\ndirect\n0.185701 0.814298 -0.000000 Na\n0.185701 0.814298 0.500000 Na\n0.806593 0.193407 -0.000000 Na\n0.806593 0.193407 0.500000 Na\n0.485444 0.514555 -0.000000 Na\n0.485444 0.514555 0.500000 Na\n0.832423 0.619055 0.750000 B\n0.380945 0.167576 0.250000 B\n0.945520 0.917725 0.250000 B\n0.082274 0.054480 0.750000 B\n0.615143 0.856285 0.750000 P\n0.143714 0.384856 0.250000 P\n0.508082 0.860185 0.894403 O\n0.139814 0.491917 0.394403 O\n0.508082 0.860185 0.605597 O\n0.139814 0.491917 0.105597 O\n0.628467 0.632967 0.750000 O\n0.874986 0.065449 0.750000 O\n0.934550 0.125014 0.250000 O\n0.042326 0.830764 0.750000 O\n0.169234 0.957673 0.250000 O\n0.367032 0.371532 0.250000 O\n0.513686 0.184411 0.379049 F\n0.823352 0.786573 0.119942 F\n0.213426 0.176648 0.880058 F\n0.823352 0.786573 0.380058 F\n0.213426 0.176648 0.619943 F\n0.513686 0.184411 0.120951 F\n0.815588 0.486314 0.879049 F\n0.815588 0.486314 0.620951 F\n",
"nsites": 30,
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"density_atomic": 0.08163044317942092,
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"formula_full": "Na6 B4 P2 O10 F8",
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{
"id": "jvasp-96598",
"created_at": "2022-09-04T14:36:03.477371Z",
"updated_at": "2022-09-04T14:36:03.477390Z",
"structure_string": "Rb6 Mg6 Cl18\n1.0\n7.072239 -0.000000 -0.000000\n-3.536119 6.124739 0.000000\n0.000000 0.000000 17.574925\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.587339 Rb\n0.666667 0.333333 0.912661 Rb\n0.333333 0.666667 0.412661 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.087339 Rb\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.160697 Mg\n0.333333 0.666667 0.839302 Mg\n0.666667 0.333333 0.339302 Mg\n0.333333 0.666667 0.660697 Mg\n0.000000 0.000000 0.500000 Mg\n0.834000 0.667999 0.081876 Cl\n0.987592 0.493795 0.250000 Cl\n0.834000 0.667999 0.418124 Cl\n0.493795 0.987592 0.750000 Cl\n0.667999 0.834000 0.581876 Cl\n0.166000 0.834000 0.918124 Cl\n0.166000 0.332001 0.918124 Cl\n0.166000 0.834000 0.581876 Cl\n0.332001 0.166000 0.418124 Cl\n0.332001 0.166000 0.081876 Cl\n0.834000 0.166000 0.081876 Cl\n0.667999 0.834000 0.918124 Cl\n0.506205 0.493795 0.250000 Cl\n0.493795 0.506205 0.750000 Cl\n0.506205 0.012409 0.250000 Cl\n0.834000 0.166000 0.418124 Cl\n0.166000 0.332001 0.581876 Cl\n0.012409 0.506205 0.750000 Cl\n",
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"elements": [
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"volume": 761.2687380410624,
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{
"id": "jvasp-116876",
"created_at": "2022-09-04T14:38:50.962137Z",
"updated_at": "2022-09-04T14:38:50.962164Z",
"structure_string": "Li12 Mn2 Fe4 O12\n1.0\n2.851319 0.001441 -0.803193\n-0.860198 14.754638 2.437168\n0.294776 0.399800 6.508845\nLi Mn Fe O\n12 2 4 12\ndirect\n0.019523 0.310190 0.728821 Li\n0.960095 0.824324 0.095970 Li\n0.670438 0.288586 0.052250 Li\n0.610994 0.802840 0.419151 Li\n0.964562 0.152033 0.777043 Li\n0.964625 0.657499 0.271741 Li\n0.665880 0.455518 0.876191 Li\n0.665748 0.960975 0.370527 Li\n0.315059 0.140834 0.489298 Li\n0.315770 0.632752 -0.001155 Li\n0.314691 0.480331 0.149004 Li\n0.315169 0.972260 0.658090 Li\n0.279521 0.791922 0.767217 Mn\n0.350938 0.321194 0.380685 Mn\n0.011962 0.995747 0.028157 Fe\n0.009422 0.496059 0.522738 Fe\n0.618282 0.117195 0.119349 Fe\n0.621099 0.617000 0.625201 Fe\n0.441677 0.067669 0.815652 O\n0.518869 0.390832 0.646830 O\n0.519114 0.893284 0.145006 O\n0.111215 0.219687 0.002715 O\n0.111606 0.722223 0.501033 O\n0.864335 0.230011 0.498668 O\n0.840249 0.719097 0.961469 O\n0.790185 0.393962 0.186374 O\n0.766018 0.883062 0.649017 O\n0.188619 0.045337 0.331908 O\n0.186557 0.540938 0.832136 O\n0.443954 0.572113 0.315784 O\n",
"nsites": 30,
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"formula_full": "Li12 Mn2 Fe4 O12",
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{
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"created_at": "2022-09-04T14:38:07.622715Z",
"updated_at": "2022-09-04T14:38:07.622746Z",
"structure_string": "Ni6 P24\n1.0\n4.840958 0.000000 0.009935\n0.000000 14.156597 0.000000\n-1.448458 0.000000 6.926654\nNi P\n6 24\ndirect\n-0.000000 0.500000 0.500000 Ni\n0.144155 0.329725 0.878050 Ni\n0.000000 0.000000 0.000000 Ni\n0.144156 0.170275 0.378051 Ni\n0.855844 0.829726 0.621949 Ni\n0.855845 0.670275 0.121950 Ni\n0.504580 0.283613 0.452639 P\n0.640761 0.892664 0.864342 P\n0.747210 0.115424 0.791312 P\n0.495420 0.783613 0.047361 P\n0.789270 0.448643 0.746229 P\n0.640762 0.607336 0.364342 P\n0.623003 0.554585 0.927758 P\n0.747210 0.384576 0.291312 P\n0.789270 0.051357 0.246229 P\n0.623003 0.945415 0.427758 P\n0.376997 0.445415 0.072242 P\n0.252790 0.884576 0.208688 P\n0.359239 0.107336 0.135658 P\n0.925329 0.227647 0.622915 P\n0.504580 0.216387 0.952639 P\n0.376997 0.054585 0.572242 P\n0.359238 0.392664 0.635658 P\n0.210730 0.551357 0.253771 P\n0.252790 0.615425 0.708688 P\n0.210730 0.948643 0.753771 P\n0.074671 0.772353 0.377085 P\n0.074671 0.727647 0.877085 P\n0.495420 0.716387 0.547361 P\n0.925329 0.272353 0.122915 P\n",
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{
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"created_at": "2022-09-04T14:36:18.900652Z",
"updated_at": "2022-09-04T14:36:18.900679Z",
"structure_string": "Yb6 Mn6 O18\n1.0\n5.946328 -0.000000 -0.000000\n-2.973164 5.149672 -0.000000\n-0.000000 -0.000000 11.537877\nYb Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.275383 Yb\n0.333333 0.666667 0.232911 Yb\n0.666667 0.333333 0.732911 Yb\n0.333333 0.666667 0.732911 Yb\n0.666667 0.333333 0.232911 Yb\n0.000000 0.000000 0.775384 Yb\n0.333330 0.000000 0.000303 Mn\n0.333330 0.333330 0.500303 Mn\n0.000000 0.666670 0.500303 Mn\n0.000000 0.333330 0.000303 Mn\n0.666671 0.666670 0.000303 Mn\n0.666670 0.000000 0.500303 Mn\n0.698236 0.000000 0.654415 O\n0.698236 0.698236 0.154415 O\n0.000000 0.301764 0.154415 O\n0.666667 0.333333 0.015917 O\n0.301764 0.000000 0.154415 O\n0.636204 0.000000 0.346563 O\n0.636204 0.636204 0.846564 O\n0.000000 0.363796 0.846564 O\n0.000000 0.636204 0.346563 O\n0.363796 0.363796 0.346563 O\n0.363796 0.000000 0.846564 O\n0.000000 0.000000 0.479116 O\n0.000000 0.000000 0.979116 O\n0.333333 0.666667 0.015917 O\n0.666667 0.333333 0.515917 O\n0.333333 0.666667 0.515917 O\n0.301764 0.301764 0.654415 O\n0.000000 0.698236 0.654415 O\n",
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{
"id": "jvasp-95674",
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