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{
"id": "mp-774919",
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"structure_string": "Li12 V12 Co8 O48\n1.0\n9.186827 0.000000 0.000000\n0.000000 8.795470 0.000000\n0.000000 8.342285 12.397193\nLi V Co O\n12 12 8 48\ndirect\n0.911784 0.371910 0.698677 Li\n0.493978 0.716862 0.344725 Li\n0.223749 0.001603 0.179325 Li\n0.723749 0.998397 0.320675 Li\n0.411784 0.628090 0.801323 Li\n0.993978 0.283138 0.155275 Li\n0.006022 0.716862 0.844725 Li\n0.588216 0.371910 0.198677 Li\n0.276251 0.001603 0.679325 Li\n0.776251 0.998397 0.820675 Li\n0.506022 0.283138 0.655275 Li\n0.088216 0.628090 0.301323 Li\n0.753090 0.548346 0.491012 V\n0.620372 0.264789 0.852578 V\n0.884231 0.969670 0.143507 V\n0.120372 0.735211 0.647422 V\n0.384231 0.030330 0.356493 V\n0.253090 0.451654 0.008988 V\n0.746910 0.548346 0.991012 V\n0.615769 0.969670 0.643507 V\n0.879628 0.264789 0.352578 V\n0.115769 0.030330 0.856493 V\n0.379628 0.735211 0.147422 V\n0.246910 0.451654 0.508988 V\n0.978454 0.352054 0.894642 Co\n0.478454 0.647946 0.605358 Co\n0.029890 0.869431 0.384769 Co\n0.529890 0.130569 0.115231 Co\n0.470110 0.869431 0.884769 Co\n0.970110 0.130569 0.615231 Co\n0.521546 0.352054 0.394642 Co\n0.021546 0.647946 0.105358 Co\n0.118267 0.620608 0.439037 O\n0.109447 0.164609 0.906160 O\n0.339148 0.458278 0.607460 O\n0.421803 0.877037 0.192664 O\n0.628753 0.510325 0.592141 O\n0.811904 0.287067 0.840143 O\n0.577304 0.154340 0.987976 O\n0.014887 0.879675 0.248402 O\n0.715530 0.981653 0.191327 O\n0.828597 0.766898 0.429413 O\n0.527985 0.468664 0.776825 O\n0.027985 0.531336 0.723175 O\n0.945831 0.194793 0.052681 O\n0.445831 0.805207 0.447319 O\n0.328597 0.233102 0.070587 O\n0.215530 0.018347 0.308673 O\n0.077304 0.845660 0.512024 O\n0.514887 0.120325 0.251598 O\n0.311904 0.712933 0.659857 O\n0.128753 0.489675 0.907859 O\n0.839148 0.541722 0.892540 O\n0.609447 0.835391 0.593840 O\n0.921803 0.122963 0.307336 O\n0.618267 0.379392 0.060963 O\n0.381733 0.620608 0.939037 O\n0.078197 0.877037 0.692664 O\n0.390553 0.164609 0.406160 O\n0.160852 0.458278 0.107460 O\n0.871247 0.510325 0.092141 O\n0.688096 0.287067 0.340143 O\n0.485113 0.879675 0.748402 O\n0.922696 0.154340 0.487976 O\n0.784470 0.981653 0.691327 O\n0.671403 0.766898 0.929413 O\n0.554169 0.194793 0.552681 O\n0.054169 0.805207 0.947319 O\n0.972015 0.468664 0.276825 O\n0.472015 0.531336 0.223175 O\n0.171403 0.233102 0.570587 O\n0.284470 0.018347 0.808673 O\n0.985113 0.120325 0.751598 O\n0.422696 0.845660 0.012024 O\n0.188096 0.712933 0.159857 O\n0.371247 0.489675 0.407859 O\n0.578197 0.122963 0.807336 O\n0.660852 0.541722 0.392540 O\n0.890553 0.835391 0.093840 O\n0.881733 0.379392 0.560963 O\n",
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"spacegroup": 14
},
{
"id": "mp-1284801",
"created_at": "2022-09-04T14:40:22.353460Z",
"structure_string": "Li6 V8 O16\n1.0\n1.692294 4.841053 2.968594\n-1.693937 -4.799413 8.838159\n3.642483 -4.922436 -0.017692\nLi V O\n6 8 16\ndirect\n0.501650 0.999553 0.500653 Li\n0.998404 0.500422 0.499342 Li\n0.285196 0.068614 0.069380 Li\n0.782491 0.568157 0.067056 Li\n0.214467 0.431388 0.930599 Li\n0.717829 0.931848 0.932985 Li\n0.749775 0.250042 0.499691 V\n0.249857 0.750029 0.499794 V\n0.250203 0.249971 0.500109 V\n0.750105 0.750016 0.500124 V\n0.003352 0.998785 0.502363 V\n0.496653 0.501204 0.497652 V\n0.250196 0.749944 0.000068 V\n0.749813 0.250035 0.000000 V\n0.105948 0.124872 0.702417 O\n0.601779 0.625273 0.700857 O\n0.393884 0.375168 0.297503 O\n0.898116 0.874736 0.299195 O\n0.650749 0.122200 0.274745 O\n0.145794 0.623821 0.262948 O\n0.882486 0.361288 0.263640 O\n0.383650 0.862161 0.269165 O\n0.109641 0.122336 0.260936 O\n0.611854 0.624421 0.260804 O\n0.617582 0.138714 0.736407 O\n0.116431 0.637848 0.730846 O\n0.390317 0.377663 0.739145 O\n0.888377 0.875517 0.739403 O\n0.849109 0.377776 0.725215 O\n0.354293 0.876200 0.736959 O\n",
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"volume": 306.1189118622752,
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"formula_full": "Li6 V8 O16",
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},
{
"id": "mp-1209205",
"created_at": "2022-09-04T14:40:22.359061Z",
"structure_string": "Rb4 Sm8 I20\n1.0\n8.788738 0.000000 0.000000\n0.000000 9.782718 0.000000\n0.000000 0.188395 14.130574\nRb Sm I\n4 8 20\ndirect\n0.453107 0.500624 0.827636 Rb\n0.546893 0.499376 0.172364 Rb\n0.953107 0.499376 0.672364 Rb\n0.046893 0.500624 0.327636 Rb\n0.446694 0.994001 0.823507 Sm\n0.553306 0.005999 0.176493 Sm\n0.946694 0.005999 0.676493 Sm\n0.053306 0.994001 0.323507 Sm\n0.412883 0.766623 0.499253 Sm\n0.587117 0.233377 0.500747 Sm\n0.912883 0.233377 0.000747 Sm\n0.087117 0.766623 0.999253 Sm\n0.334948 0.464068 0.579654 I\n0.665052 0.535932 0.420346 I\n0.834948 0.535932 0.920346 I\n0.165052 0.464068 0.079654 I\n0.653792 0.792378 0.679097 I\n0.346208 0.207622 0.320903 I\n0.153792 0.207622 0.820903 I\n0.846208 0.792378 0.179097 I\n0.183130 0.776375 0.782613 I\n0.816870 0.223625 0.217387 I\n0.683130 0.223625 0.717387 I\n0.316870 0.776375 0.282613 I\n0.040255 0.790862 0.506617 I\n0.959745 0.209138 0.493383 I\n0.540255 0.209138 0.993383 I\n0.459745 0.790862 0.006617 I\n0.837880 0.954579 0.897303 I\n0.162120 0.045421 0.102697 I\n0.337880 0.045421 0.602697 I\n0.662120 0.954579 0.397303 I\n",
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"elements": [
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],
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"volume": 1214.9148941501376,
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"formula_full": "Rb4 Sm8 I20",
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"spacegroup": 14
},
{
"id": "mp-1021709",
"created_at": "2022-09-04T14:40:22.365630Z",
"structure_string": "Mg12 V2 Sn2\n1.0\n5.088289 0.000000 0.000000\n0.000000 6.090275 0.000000\n0.000000 0.000000 11.051760\nMg V Sn\n12 2 2\ndirect\n0.500000 0.249197 0.417301 Mg\n0.500000 0.750803 0.417301 Mg\n0.000000 0.760137 0.083202 Mg\n0.000000 0.239863 0.083202 Mg\n0.000000 0.000000 0.328038 Mg\n0.000000 0.500000 0.335619 Mg\n0.500000 0.749197 0.917301 Mg\n0.500000 0.250803 0.917301 Mg\n0.000000 0.260137 0.583202 Mg\n0.000000 0.739863 0.583202 Mg\n0.000000 0.500000 0.828038 Mg\n0.000000 0.000000 0.835619 Mg\n0.500000 0.000000 0.167701 V\n0.500000 0.500000 0.667701 V\n0.500000 0.500000 0.167632 Sn\n0.500000 0.000000 0.667632 Sn\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Sn-V",
"density": 3.059235229023624,
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"volume": 342.4838669282482,
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"formula_full": "Mg12 V2 Sn2",
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"spacegroup": 38
},
{
"id": "mp-1222690",
"created_at": "2022-09-04T14:40:22.382500Z",
"structure_string": "Mn1 Zn3 Mo9 O45\n1.0\n9.907819 0.000000 0.000000\n-2.382885 9.659587 0.000000\n-2.374152 -3.107767 9.222909\nMn Zn Mo O\n1 3 9 45\ndirect\n0.505702 0.504619 0.504286 Mn\n0.895623 0.469490 0.067023 Zn\n0.481811 0.068126 0.908794 Zn\n0.066123 0.888942 0.460632 Zn\n0.292329 0.499470 0.709637 Mo\n0.494754 0.710315 0.292820 Mo\n0.711406 0.293174 0.494987 Mo\n0.647765 0.626602 0.852461 Mo\n0.624487 0.852240 0.647066 Mo\n0.855724 0.649507 0.627067 Mo\n0.353552 0.153923 0.391955 Mo\n0.392146 0.352732 0.154998 Mo\n0.152953 0.390378 0.351517 Mo\n0.787846 0.574043 0.958830 O\n0.568865 0.956048 0.786963 O\n0.964495 0.789848 0.576357 O\n0.221675 0.055492 0.458623 O\n0.464613 0.222440 0.060684 O\n0.056003 0.458222 0.220980 O\n0.475241 0.477431 0.824405 O\n0.473925 0.824417 0.475656 O\n0.829805 0.477669 0.478732 O\n0.532378 0.179258 0.528331 O\n0.530087 0.532042 0.180092 O\n0.178177 0.531300 0.529232 O\n0.627755 0.771769 0.971407 O\n0.769282 0.973903 0.629308 O\n0.975276 0.631552 0.772749 O\n0.358213 0.025981 0.243506 O\n0.243718 0.354063 0.025335 O\n0.023900 0.242448 0.355573 O\n0.817739 0.580496 0.213628 O\n0.576683 0.215322 0.822752 O\n0.214183 0.804630 0.559743 O\n0.014196 0.442534 0.928322 O\n0.424432 0.922985 0.012515 O\n0.926541 0.009579 0.438665 O\n0.768348 0.769268 0.767584 O\n0.241171 0.239818 0.239761 O\n0.279855 0.645773 0.835976 O\n0.645824 0.837860 0.284598 O\n0.838115 0.281166 0.642486 O\n0.713676 0.171128 0.341764 O\n0.343108 0.713577 0.169823 O\n0.169110 0.345052 0.711166 O\n0.177816 0.844412 0.959330 O\n0.816936 0.954092 0.223954 O\n0.951902 0.226011 0.816568 O\n0.666519 0.489180 0.643281 O\n0.487958 0.643514 0.664654 O\n0.646005 0.667284 0.490388 O\n0.338252 0.364134 0.514323 O\n0.520624 0.340375 0.365361 O\n0.365811 0.517546 0.338254 O\n0.061376 0.991968 0.012055 O\n0.790208 0.260154 0.944999 O\n0.260104 0.945445 0.817150 O\n0.941743 0.793249 0.254591 O\n",
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"formula_full": "Mn1 Zn3 Mo9 O45",
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{
"id": "mp-1193738",
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"structure_string": "Mg2 N4 O24\n1.0\n-4.733765 0.000000 1.131505\n0.684893 0.000000 -7.660820\n0.000000 -12.578761 0.000000\nMg N O\n2 4 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.539347 0.956229 0.702862 N\n0.460653 0.543771 0.202862 N\n0.460653 0.043771 0.297138 N\n0.539347 0.456229 0.797138 N\n0.985389 0.058949 0.847427 O\n0.014611 0.441051 0.347427 O\n0.014611 0.941051 0.152573 O\n0.985389 0.558949 0.652573 O\n0.521002 0.805681 0.975210 O\n0.478998 0.694319 0.475210 O\n0.478998 0.194320 0.024790 O\n0.521002 0.305681 0.524790 O\n0.263141 0.786676 0.994178 O\n0.736859 0.713324 0.494178 O\n0.736859 0.213324 0.005822 O\n0.263141 0.286676 0.505822 O\n0.375112 0.947802 0.625756 O\n0.624888 0.552198 0.125756 O\n0.624888 0.052198 0.374244 O\n0.375112 0.447802 0.874244 O\n0.779750 0.928742 0.689087 O\n0.220250 0.571258 0.189087 O\n0.220250 0.071258 0.310913 O\n0.779750 0.428742 0.810913 O\n0.471786 0.993284 0.795111 O\n0.528214 0.506716 0.295111 O\n0.528214 0.006716 0.204889 O\n0.471786 0.493284 0.704889 O\n",
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{
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"structure_string": "U3 Sn3 Pt3\n1.0\n3.730931 -6.462162 0.000000\n3.730931 6.462162 0.000000\n0.000000 0.000000 4.162589\nU Sn Pt\n3 3 3\ndirect\n0.000000 0.412052 0.500000 U\n0.587948 0.587948 0.500000 U\n0.412052 0.000000 0.500000 U\n0.000000 0.745606 0.000000 Sn\n0.254394 0.254394 0.000000 Sn\n0.745606 0.000000 0.000000 Sn\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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{
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"structure_string": "Fe12 P6\n1.0\n0.000000 0.000000 -6.051285\n6.516672 0.000000 0.000000\n-3.258336 -5.053934 3.025643\nFe P\n12 6\ndirect\n0.011074 0.588989 0.740573 Fe\n0.270502 0.411011 0.259427 Fe\n0.011074 0.151583 0.740573 Fe\n0.270502 0.848417 0.259427 Fe\n0.748081 0.217183 0.000000 Fe\n0.748081 0.782817 0.000000 Fe\n0.981179 0.700671 0.401341 Fe\n0.579838 0.299329 0.598659 Fe\n0.062517 0.208368 0.416737 Fe\n0.645780 0.791632 0.583263 Fe\n0.427912 0.500000 0.000000 Fe\n0.385148 0.000000 0.000000 Fe\n0.344326 0.603720 0.669036 P\n0.675291 0.396280 0.330964 P\n0.344326 0.065316 0.669036 P\n0.675291 0.934684 0.330964 P\n0.952953 0.500000 0.000000 P\n0.032125 0.000000 0.000000 P\n",
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