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{
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"structure_string": "Sr4 Y2 Ni4 O14\n1.0\n-2.692370 2.704106 11.682554\n2.692370 -2.704106 11.682554\n2.692370 2.704106 -11.682554\nSr Y Ni O\n4 2 4 14\ndirect\n0.840861 0.795857 0.976215 Sr\n0.180358 0.204143 0.045004 Sr\n0.680358 0.635355 0.976215 Sr\n0.340861 0.364645 0.045004 Sr\n0.516753 0.500000 0.016753 Y\n0.016753 0.000000 0.016753 Y\n0.432712 0.925052 0.523571 Ni\n0.598519 0.074948 0.507660 Ni\n0.098519 0.590860 0.523571 Ni\n0.932712 0.409140 0.507660 Ni\n0.013664 0.510153 0.023817 O\n0.513664 0.489847 0.503510 O\n0.197323 0.202835 0.515383 O\n0.312548 0.797165 0.994488 O\n0.812548 0.818060 0.515383 O\n0.697323 0.181940 0.994488 O\n0.711631 0.676519 0.516687 O\n0.840168 0.323481 0.035112 O\n0.340168 0.305056 0.516687 O\n0.211631 0.694944 0.035112 O\n0.854613 0.304404 0.480021 O\n0.175617 0.695596 0.550209 O\n0.675617 0.125408 0.480021 O\n0.354613 0.874592 0.550209 O\n",
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{
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"structure_string": "Na8 Ge4 O40\n1.0\n-5.438875 -1.335557 0.000000\n2.090934 9.599735 0.000000\n0.000000 0.000000 -16.776322\nNa Ge O\n8 4 40\ndirect\n0.647121 0.295146 0.217724 Na\n0.352879 0.204854 0.717724 Na\n0.352879 0.704854 0.782276 Na\n0.647121 0.795146 0.282276 Na\n0.881975 0.410629 0.395114 Na\n0.118025 0.089371 0.895114 Na\n0.118025 0.589371 0.604886 Na\n0.881975 0.910629 0.104886 Na\n0.774545 0.387915 0.915080 Ge\n0.225455 0.112085 0.415080 Ge\n0.225455 0.612085 0.084920 Ge\n0.774545 0.887915 0.584920 Ge\n0.081466 0.357630 0.888230 O\n0.918534 0.142370 0.388230 O\n0.918534 0.642370 0.111770 O\n0.081466 0.857630 0.611770 O\n0.518764 0.263308 0.861294 O\n0.481236 0.236692 0.361294 O\n0.481236 0.736692 0.138706 O\n0.518764 0.763308 0.638706 O\n0.826899 0.584876 0.909428 O\n0.173101 0.915124 0.409428 O\n0.173101 0.415124 0.090572 O\n0.826899 0.084876 0.590572 O\n0.752003 0.363362 0.027341 O\n0.247997 0.136638 0.527341 O\n0.247997 0.636638 0.972659 O\n0.752003 0.863362 0.472659 O\n0.686447 0.002976 0.787318 O\n0.313553 0.497024 0.287318 O\n0.313553 0.997024 0.212682 O\n0.686447 0.502976 0.712682 O\n0.189764 0.431529 0.820594 O\n0.810236 0.068471 0.320594 O\n0.810236 0.568471 0.179406 O\n0.189764 0.931529 0.679406 O\n0.926892 0.616907 0.725978 O\n0.073108 0.883093 0.225978 O\n0.073108 0.383093 0.274022 O\n0.926892 0.116907 0.774022 O\n0.605166 0.992916 0.000197 O\n0.394834 0.507084 0.500197 O\n0.394834 0.007084 0.999803 O\n0.605166 0.492916 0.499803 O\n0.317630 0.591099 0.349267 O\n0.682370 0.908901 0.849267 O\n0.682370 0.408901 0.650733 O\n0.317630 0.091099 0.150733 O\n0.094784 0.703756 0.937280 O\n0.905216 0.796244 0.437280 O\n0.905216 0.296244 0.062720 O\n0.094784 0.203756 0.562720 O\n",
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"elements": [
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"volume": 829.0723645021974,
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"formula_full": "Na8 Ge4 O40",
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"spacegroup": 14
},
{
"id": "mp-1233159",
"created_at": "2022-09-04T14:44:59.607997Z",
"structure_string": "Mg1 V8 O8 F8\n1.0\n-4.962881 0.120291 0.038779\n-0.042986 4.736359 -9.309131\n0.154147 -4.748276 -3.108096\nMg V O F\n1 8 8 8\ndirect\n0.506410 0.373906 0.363866 Mg\n0.493714 0.250193 0.802948 V\n0.510872 0.997042 0.503403 V\n0.524142 0.740973 0.238637 V\n0.522003 0.524682 0.941391 V\n0.990663 0.225875 0.278409 V\n0.034346 0.773909 0.717560 V\n0.014793 0.506068 0.484845 V\n0.006848 0.995019 0.004588 V\n0.817449 0.069350 0.294140 O\n0.697814 0.822724 0.511997 O\n0.661588 0.554567 0.270442 O\n0.676266 0.326864 0.069004 O\n0.366578 0.425150 0.681841 O\n0.334523 0.685835 0.944178 O\n0.341427 0.195012 0.475289 O\n0.201057 0.935814 0.703511 O\n0.855038 0.585506 0.769646 F\n0.835517 0.315736 0.564532 F\n0.828654 0.812588 0.023930 F\n0.671827 0.074165 0.802597 F\n0.341163 0.923818 0.208289 F\n0.200060 0.687977 0.437761 F\n0.177089 0.179752 0.979869 F\n0.167935 0.423724 0.189231 F\n",
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"elements": [
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],
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"formula_full": "Mg1 V8 O8 F8",
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"updated_at": "2021-11-28T01:36:47.585000Z",
"spacegroup": 1
},
{
"id": "mp-1079783",
"created_at": "2022-09-04T14:45:01.576785Z",
"structure_string": "Eu2 Al2\n1.0\n2.082017 -6.310331 0.000000\n2.082017 6.310331 0.000000\n0.000000 0.000000 4.670498\nEu Al\n2 2\ndirect\n0.348513 0.651487 0.750000 Eu\n0.651487 0.348513 0.250000 Eu\n0.060386 0.939614 0.750000 Al\n0.939614 0.060386 0.250000 Al\n",
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"formula_full": "Eu2 Al2",
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},
{
"id": "mp-1023632",
"created_at": "2022-09-04T14:44:57.863731Z",
"structure_string": "Mg15 Fe1\n1.0\n3.152430 -5.460169 0.000000\n3.152430 5.460169 0.000000\n0.000000 0.000000 9.939620\nMg Fe\n15 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.994852 0.497426 0.500000 Mg\n0.003544 0.501772 0.000000 Mg\n0.502574 0.497426 0.500000 Mg\n0.498228 0.501772 0.000000 Mg\n0.502574 0.005148 0.500000 Mg\n0.498228 0.996456 0.000000 Mg\n0.159292 0.318584 0.265849 Mg\n0.159292 0.318584 0.734151 Mg\n0.159292 0.840708 0.265849 Mg\n0.159292 0.840708 0.734151 Mg\n0.681416 0.840708 0.265849 Mg\n0.681416 0.840708 0.734151 Mg\n0.666667 0.333333 0.247196 Mg\n0.666667 0.333333 0.752804 Mg\n0.000000 0.000000 0.500000 Fe\n",
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"elements": [
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],
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"formula_full": "Mg15 Fe1",
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},
{
"id": "mp-805888",
"created_at": "2022-09-04T14:45:01.634876Z",
"structure_string": "Li6 Cr2 H24 C12 O36\n1.0\n9.427547 0.000000 0.000000\n-0.422987 12.018120 0.000000\n-2.703896 -2.131782 7.356785\nLi Cr H C O\n6 2 24 12 36\ndirect\n0.111929 0.984959 0.069615 Li\n0.403944 0.037121 0.104184 Li\n0.073939 0.429772 0.209743 Li\n0.926061 0.570228 0.790257 Li\n0.596056 0.962879 0.895816 Li\n0.888071 0.015041 0.930385 Li\n0.712255 0.701844 0.332554 Cr\n0.287745 0.298156 0.667446 Cr\n0.882048 0.349483 0.037002 H\n0.509289 0.868978 0.216105 H\n0.213848 0.707919 0.177630 H\n0.261477 0.536602 0.122300 H\n0.866642 0.277319 0.172036 H\n0.985150 0.701446 0.334976 H\n0.388065 0.836725 0.427195 H\n0.441818 0.695429 0.461061 H\n0.081317 0.700502 0.456110 H\n0.833374 0.403502 0.404872 H\n0.505007 0.045607 0.343969 H\n0.740697 0.233918 0.401052 H\n0.259303 0.766082 0.598948 H\n0.494993 0.954393 0.656031 H\n0.166626 0.596498 0.595128 H\n0.918683 0.299498 0.543890 H\n0.558182 0.304571 0.538939 H\n0.611935 0.163275 0.572805 H\n0.014850 0.298554 0.665024 H\n0.133358 0.722681 0.827964 H\n0.738523 0.463398 0.877700 H\n0.786152 0.292081 0.822370 H\n0.490711 0.131022 0.783895 H\n0.117952 0.650517 0.962998 H\n0.737628 0.869781 0.116641 C\n0.861057 0.865288 0.166406 C\n0.598232 0.342187 0.158343 C\n0.513596 0.409256 0.270157 C\n0.189415 0.247012 0.377380 C\n0.224408 0.071521 0.364077 C\n0.775592 0.928479 0.635923 C\n0.810585 0.752988 0.622620 C\n0.486404 0.590744 0.729843 C\n0.401768 0.657813 0.841657 C\n0.138943 0.134712 0.833594 C\n0.262372 0.130219 0.883359 C\n0.726059 0.934695 0.016972 O\n0.941303 0.919141 0.099599 O\n0.655813 0.802402 0.183980 O\n0.191153 0.574892 0.120516 O\n0.203011 0.944815 0.238781 O\n0.454479 0.936677 0.261812 O\n0.916848 0.288182 0.092932 O\n0.567775 0.182124 0.068828 O\n0.694445 0.461573 0.167523 O\n0.868542 0.802755 0.274855 O\n0.420287 0.301592 0.269504 O\n0.549798 0.579825 0.356713 O\n0.032169 0.628726 0.358145 O\n0.140296 0.257206 0.263522 O\n0.726917 0.928533 0.512174 O\n0.818182 0.270582 0.369984 O\n0.394475 0.779508 0.503171 O\n0.786512 0.630130 0.488454 O\n0.213488 0.369870 0.511546 O\n0.605525 0.220492 0.496829 O\n0.181818 0.729418 0.630016 O\n0.273083 0.071467 0.487826 O\n0.859704 0.742794 0.736478 O\n0.967831 0.371274 0.641855 O\n0.450202 0.420175 0.643287 O\n0.579713 0.698408 0.730496 O\n0.131458 0.197245 0.725145 O\n0.305555 0.538427 0.832477 O\n0.432225 0.817876 0.931172 O\n0.083152 0.711818 0.907068 O\n0.545521 0.063323 0.738188 O\n0.796989 0.055185 0.761219 O\n0.808847 0.425108 0.879484 O\n0.344187 0.197598 0.816020 O\n0.058697 0.080859 0.900401 O\n0.273941 0.065305 0.983028 O\n",
"nsites": 80,
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],
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"volume": 833.5339749035179,
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"formula_full": "Li6 Cr2 H24 C12 O36",
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"energy": -400.71000666,
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},
{
"id": "mp-768289",
"created_at": "2022-09-04T14:44:59.551311Z",
"structure_string": "Li4 Fe2 B2 O8\n1.0\n5.118627 0.000000 0.000000\n0.000000 4.818813 0.000000\n0.000000 4.792440 6.196944\nLi Fe B O\n4 2 2 8\ndirect\n0.347495 0.257296 0.248530 Li\n0.186405 0.506880 0.495728 Li\n0.652505 0.257296 0.748530 Li\n0.813595 0.506880 0.995728 Li\n0.177555 0.998752 0.001727 Fe\n0.822445 0.998752 0.501727 Fe\n0.679284 0.747100 0.248296 B\n0.320716 0.747100 0.748296 B\n0.819635 0.045922 0.049013 O\n0.399531 0.847942 0.240170 O\n0.693449 0.430722 0.255227 O\n0.807078 0.658622 0.449598 O\n0.180365 0.045922 0.549013 O\n0.600469 0.847942 0.740170 O\n0.306551 0.430722 0.755227 O\n0.192922 0.658622 0.949598 O\n",
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{
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"created_at": "2022-09-04T14:44:59.553047Z",
"structure_string": "Zn4 Cr8 O16\n1.0\n5.113989 0.000000 0.000000\n0.000000 5.929206 0.000000\n0.000000 0.000000 10.268017\nZn Cr O\n4 8 16\ndirect\n0.365414 0.000000 0.500000 Zn\n0.634586 0.500000 0.000000 Zn\n0.041857 0.000000 0.000000 Zn\n0.958143 0.500000 0.500000 Zn\n0.009616 0.500000 0.237191 Cr\n0.009616 0.500000 0.762809 Cr\n0.990384 0.000000 0.262809 Cr\n0.990384 0.000000 0.737191 Cr\n0.500000 0.250000 0.250000 Cr\n0.500000 0.750000 0.750000 Cr\n0.500000 0.750000 0.250000 Cr\n0.500000 0.250000 0.750000 Cr\n0.356233 0.500000 0.144329 O\n0.356233 0.500000 0.855671 O\n0.643767 0.000000 0.355671 O\n0.643767 0.000000 0.644329 O\n0.689949 0.500000 0.348026 O\n0.689949 0.500000 0.651974 O\n0.310051 0.000000 0.151974 O\n0.310051 0.000000 0.848026 O\n0.165886 0.251826 0.359144 O\n0.165886 0.748174 0.640856 O\n0.834114 0.751826 0.140856 O\n0.834114 0.248174 0.859144 O\n0.834114 0.248174 0.140856 O\n0.834114 0.751826 0.859144 O\n0.165886 0.748174 0.359144 O\n0.165886 0.251826 0.640856 O\n",
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{
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{
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{
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}