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{
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"results": [
{
"id": "mp-1176172",
"created_at": "2022-09-04T14:44:56.073161Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.936928 0.000000 0.000000\n-0.116418 5.120236 0.000000\n-1.037462 -1.481493 19.216607\nLi Mn Co O\n9 2 5 16\ndirect\n0.010435 0.605622 0.873921 Li\n0.489049 0.752520 0.750165 Li\n0.994419 0.875278 0.627135 Li\n0.500269 0.000314 0.501040 Li\n0.001019 0.126565 0.374406 Li\n0.501378 0.248018 0.250113 Li\n0.998070 0.380922 0.125944 Li\n0.506251 0.493601 0.995546 Li\n0.486720 0.140660 0.876835 Li\n0.004810 0.003204 0.996389 Mn\n0.993158 0.755668 0.248660 Mn\n0.997451 0.239614 0.755530 Co\n0.497322 0.364614 0.626824 Co\n0.003056 0.498702 0.501316 Co\n0.497740 0.631373 0.375893 Co\n0.515767 0.872967 0.123208 Co\n0.482097 0.833940 0.943976 O\n0.000197 0.972534 0.804794 O\n0.522656 0.075615 0.691067 O\n0.012574 0.199152 0.566464 O\n0.509058 0.330638 0.441386 O\n0.009010 0.465365 0.314411 O\n0.529855 0.580192 0.184810 O\n0.041386 0.715655 0.062715 O\n0.465895 0.431474 0.807054 O\n0.990390 0.522453 0.687243 O\n0.491572 0.668500 0.560560 O\n0.989349 0.795548 0.434258 O\n0.461007 0.932548 0.310877 O\n0.978992 0.045264 0.184407 O\n0.526891 0.151871 0.058499 O\n0.992163 0.289613 0.944554 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 1
},
{
"id": "mp-723466",
"created_at": "2022-09-04T14:44:55.850645Z",
"structure_string": "Na16 Te8 W16 O72\n1.0\n3.723403 16.814970 0.000000\n-3.723403 16.814970 0.000000\n0.000000 4.244463 12.582433\nNa Te W O\n16 8 16 72\ndirect\n0.736043 0.254893 0.735746 Na\n0.254893 0.736043 0.235746 Na\n0.684232 0.712242 0.881675 Na\n0.712242 0.684232 0.381675 Na\n0.023580 0.976929 0.971424 Na\n0.976929 0.023580 0.471424 Na\n0.910562 0.895748 0.893503 Na\n0.895748 0.910562 0.393503 Na\n0.794913 0.824120 0.628897 Na\n0.824120 0.794913 0.128897 Na\n0.047120 0.562618 0.894347 Na\n0.562618 0.047120 0.394347 Na\n0.282641 0.316462 0.646088 Na\n0.316462 0.282641 0.146088 Na\n0.626259 0.575110 0.594505 Na\n0.575110 0.626259 0.094505 Na\n0.208022 0.215095 0.875949 Te\n0.215095 0.208022 0.375949 Te\n0.516682 0.488095 0.993111 Te\n0.488095 0.516682 0.493111 Te\n0.119067 0.053334 0.611819 Te\n0.053334 0.119067 0.111819 Te\n0.400989 0.384083 0.907549 Te\n0.384083 0.400989 0.407549 Te\n0.131513 0.652690 0.664798 W\n0.652690 0.131513 0.164798 W\n0.652653 0.149639 0.658514 W\n0.149639 0.652653 0.158514 W\n0.240479 0.756199 0.720119 W\n0.756199 0.240479 0.220119 W\n0.578751 0.025533 0.894988 W\n0.025533 0.578751 0.394988 W\n0.373626 0.823573 0.832791 W\n0.823573 0.373626 0.332791 W\n0.458996 0.954185 0.138690 W\n0.954185 0.458996 0.638690 W\n0.953762 0.468761 0.133503 W\n0.468761 0.953762 0.633503 W\n0.860212 0.329294 0.838990 W\n0.329294 0.860212 0.338990 W\n0.098821 0.720336 0.524658 O\n0.720336 0.098821 0.024658 O\n0.072718 0.598042 0.696819 O\n0.598042 0.072718 0.196819 O\n0.893213 0.900405 0.714006 O\n0.900405 0.893213 0.214006 O\n0.394079 0.405062 0.637884 O\n0.405062 0.394079 0.137884 O\n0.201874 0.715387 0.651250 O\n0.715387 0.201874 0.151250 O\n0.193869 0.581044 0.822981 O\n0.581044 0.193869 0.322981 O\n0.718701 0.198700 0.593307 O\n0.198700 0.718701 0.093307 O\n0.683037 0.079747 0.549880 O\n0.079747 0.683037 0.049880 O\n0.603205 0.223181 0.802568 O\n0.223181 0.603205 0.302568 O\n0.562102 0.115652 0.756980 O\n0.115652 0.562102 0.256980 O\n0.415497 0.553808 0.810892 O\n0.553808 0.415497 0.310892 O\n0.038860 0.921813 0.813003 O\n0.921813 0.038860 0.313003 O\n0.285589 0.840024 0.717470 O\n0.840024 0.285589 0.217470 O\n0.075876 0.987267 0.600440 O\n0.987267 0.075876 0.100440 O\n0.478020 0.578114 0.601029 O\n0.578114 0.478020 0.101029 O\n0.774600 0.891236 0.935938 O\n0.891236 0.774600 0.435938 O\n0.694659 0.841881 0.855068 O\n0.841881 0.694659 0.355068 O\n0.303125 0.230884 0.878932 O\n0.230884 0.303125 0.378932 O\n0.533075 0.993446 0.053306 O\n0.993446 0.533075 0.553306 O\n0.392633 0.274665 0.954470 O\n0.274665 0.392633 0.454470 O\n0.443318 0.804334 0.928726 O\n0.804334 0.443318 0.428726 O\n0.358969 0.926759 0.713173 O\n0.926759 0.358969 0.213173 O\n0.616914 0.578453 0.783456 O\n0.578453 0.616914 0.283456 O\n0.103473 0.065537 0.870755 O\n0.065537 0.103473 0.370755 O\n0.357444 0.721184 0.931740 O\n0.721184 0.357444 0.431740 O\n0.482395 0.881872 0.040646 O\n0.881872 0.482395 0.540646 O\n0.205382 0.210669 0.113822 O\n0.210669 0.205382 0.613822 O\n0.699113 0.705833 0.193813 O\n0.705833 0.699113 0.693813 O\n0.348454 0.951243 0.251972 O\n0.951243 0.348454 0.751972 O\n0.413552 0.045010 0.268669 O\n0.045010 0.413552 0.768669 O\n0.890604 0.506297 0.014406 O\n0.506297 0.890604 0.514406 O\n0.002844 0.533432 0.085001 O\n0.533432 0.002844 0.585001 O\n0.014977 0.405445 0.287481 O\n0.405445 0.014977 0.787481 O\n0.819001 0.393435 0.959200 O\n0.393435 0.819001 0.459200 O\n0.746635 0.317526 0.902467 O\n0.317526 0.746635 0.402467 O\n0.899941 0.249184 0.700567 O\n0.249184 0.899941 0.200567 O\n",
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"elements": [
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"W",
"O"
],
"chemical_system": "Na-O-Te-W",
"density": 5.777766523592308,
"density_atomic": 0.07108652085791524,
"volume": 1575.5448240864243,
"volume_molar": 8.471564914587399,
"formula_full": "Na16 Te8 W16 O72",
"formula_reduced": "Na2TeW2O9",
"formula_anonymous": "AB2C2D9",
"energy": -842.52601325,
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"updated_at": "2021-11-28T01:36:49.862000Z",
"spacegroup": 9
},
{
"id": "mp-23743",
"created_at": "2022-09-04T14:45:04.743266Z",
"structure_string": "Al2 H24 Cl6 O12\n1.0\n5.291859 -5.925697 0.000000\n5.291859 5.925697 0.000000\n-1.343594 0.000000 7.830224\nAl H Cl O\n2 24 6 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.886703 0.291710 0.085345 H\n0.085345 0.886703 0.291710 H\n0.291710 0.085345 0.886703 H\n0.613297 0.414655 0.208290 H\n0.208290 0.613297 0.414655 H\n0.414655 0.208290 0.613297 H\n0.113297 0.708290 0.914655 H\n0.914655 0.113297 0.708290 H\n0.708290 0.914655 0.113297 H\n0.386703 0.585345 0.791710 H\n0.791710 0.386703 0.585345 H\n0.585345 0.791710 0.386703 H\n0.957790 0.214668 0.258266 H\n0.258266 0.957790 0.214668 H\n0.214668 0.258266 0.957790 H\n0.542210 0.241734 0.285332 H\n0.285332 0.542210 0.241734 H\n0.241734 0.285332 0.542210 H\n0.042210 0.785332 0.741734 H\n0.741734 0.042210 0.785332 H\n0.758266 0.714668 0.457790 H\n0.714668 0.457790 0.758266 H\n0.457790 0.758266 0.714668 H\n0.785332 0.741734 0.042210 H\n0.518697 0.981303 0.250000 Cl\n0.750000 0.481303 0.018697 Cl\n0.018697 0.750000 0.481303 Cl\n0.481303 0.018697 0.750000 Cl\n0.981303 0.250000 0.518697 Cl\n0.250000 0.518697 0.981303 Cl\n0.944758 0.197382 0.130402 O\n0.130402 0.944758 0.197382 O\n0.197382 0.130402 0.944758 O\n0.555242 0.369598 0.302618 O\n0.302618 0.555242 0.369598 O\n0.369598 0.302618 0.555242 O\n0.055242 0.802618 0.869598 O\n0.869598 0.055242 0.802618 O\n0.802618 0.869598 0.055242 O\n0.444758 0.630402 0.697382 O\n0.697382 0.444758 0.630402 O\n0.630402 0.697382 0.444758 O\n",
"nsites": 44,
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"elements": [
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"H",
"Cl",
"O"
],
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"density": 1.6327602985871787,
"density_atomic": 0.08959851047578912,
"volume": 491.07959235426654,
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"formula_full": "Al2 H24 Cl6 O12",
"formula_reduced": "AlH12(ClO2)3",
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{
"id": "mp-759016",
"created_at": "2022-09-04T14:45:04.858422Z",
"structure_string": "Li8 Fe8 Si8 O28\n1.0\n13.371439 0.000000 0.000000\n0.000000 5.531536 0.000000\n0.000000 5.460509 8.377583\nLi Fe Si O\n8 8 8 28\ndirect\n0.373643 0.760591 0.105619 Li\n0.753571 0.028105 0.167435 Li\n0.253571 0.971895 0.332565 Li\n0.873643 0.239409 0.394381 Li\n0.126357 0.760591 0.605619 Li\n0.746429 0.028105 0.667435 Li\n0.246429 0.971895 0.832565 Li\n0.626357 0.239409 0.894381 Li\n0.086653 0.551484 0.117801 Fe\n0.491956 0.171379 0.204977 Fe\n0.991956 0.828621 0.295023 Fe\n0.586653 0.448516 0.382199 Fe\n0.413347 0.551484 0.617801 Fe\n0.008044 0.171379 0.704977 Fe\n0.508044 0.828621 0.795023 Fe\n0.913347 0.448516 0.882199 Fe\n0.882610 0.766172 0.034325 Si\n0.670682 0.631800 0.035603 Si\n0.170682 0.368200 0.464397 Si\n0.382610 0.233828 0.465674 Si\n0.617390 0.766172 0.534326 Si\n0.829318 0.631800 0.535603 Si\n0.329318 0.368200 0.964397 Si\n0.117390 0.233828 0.965674 Si\n0.792383 0.561846 0.029355 O\n0.162387 0.927645 0.008717 O\n0.034898 0.209468 0.094972 O\n0.616267 0.337235 0.067695 O\n0.360099 0.083927 0.140732 O\n0.655964 0.706378 0.171032 O\n0.938158 0.584494 0.209927 O\n0.438158 0.415506 0.290073 O\n0.155964 0.293622 0.328968 O\n0.860099 0.916073 0.359268 O\n0.116267 0.662765 0.432305 O\n0.534898 0.790532 0.405028 O\n0.662387 0.072355 0.491283 O\n0.292383 0.438154 0.470645 O\n0.707617 0.561846 0.529355 O\n0.337613 0.927645 0.508717 O\n0.465102 0.209468 0.594972 O\n0.883733 0.337235 0.567695 O\n0.139901 0.083927 0.640732 O\n0.844036 0.706378 0.671032 O\n0.561842 0.584494 0.709927 O\n0.061842 0.415506 0.790073 O\n0.344036 0.293622 0.828968 O\n0.639901 0.916073 0.859268 O\n0.383733 0.662765 0.932305 O\n0.965102 0.790532 0.905028 O\n0.837613 0.072355 0.991283 O\n0.207617 0.438154 0.970645 O\n",
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"formula_full": "Li8 Fe8 Si8 O28",
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"spacegroup": 14
},
{
"id": "mp-1027474",
"created_at": "2022-09-04T14:44:57.914969Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n1.645728 -2.850485 0.000000\n1.645728 2.850485 0.000000\n0.000000 0.000000 37.407972\nMo W Se S\n2 2 6 2\ndirect\n0.000000 0.000000 0.093920 Mo\n0.333333 0.666667 0.281798 Mo\n0.000000 0.000000 0.469651 W\n0.333333 0.666667 0.657552 W\n0.000000 0.000000 0.326853 Se\n0.000000 0.000000 0.702902 Se\n0.333333 0.666667 0.424322 Se\n0.333333 0.666667 0.514968 Se\n0.000000 0.000000 0.236704 Se\n0.000000 0.000000 0.612228 Se\n0.333333 0.666667 0.052929 S\n0.333333 0.666667 0.134921 S\n",
"nsites": 12,
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],
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"formula_full": "Mo2 W2 Se6 S2",
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"spacegroup": 156
},
{
"id": "mp-723939",
"created_at": "2022-09-04T14:45:06.046203Z",
"structure_string": "Li6 Sb4 P10 O36\n1.0\n9.788105 0.000000 0.000000\n-1.110217 10.982873 0.000000\n-0.130690 -0.348020 6.568430\nLi Sb P O\n6 4 10 36\ndirect\n0.690059 0.097271 0.183227 Li\n0.837110 0.348494 0.360064 Li\n0.166437 0.649663 0.634308 Li\n0.336010 0.884822 0.820815 Li\n0.642409 0.191313 0.882144 Li\n0.123239 0.979902 0.981015 Li\n0.044115 0.673881 0.230434 Sb\n0.390291 0.231739 0.348608 Sb\n0.611298 0.769319 0.652512 Sb\n0.956441 0.315625 0.763813 Sb\n0.795846 0.479926 0.045821 P\n0.387091 0.225023 0.015870 P\n0.095353 0.171770 0.280577 P\n0.815713 0.845817 0.431866 P\n0.363000 0.725095 0.425112 P\n0.640988 0.278698 0.572764 P\n0.189644 0.149891 0.571649 P\n0.909993 0.821542 0.723233 P\n0.598711 0.783904 0.984708 P\n0.199299 0.526220 0.948865 P\n0.684964 0.970929 0.005489 O\n0.900119 0.647218 0.081326 O\n0.311561 0.428604 0.031447 O\n0.501081 0.752605 0.075804 O\n0.148644 0.675932 0.050420 O\n0.758760 0.367059 0.168168 O\n0.455689 0.218752 0.169127 O\n0.054676 0.003861 0.173302 O\n0.222413 0.269175 0.255058 O\n0.803967 0.023834 0.339916 O\n0.883290 0.667980 0.381217 O\n0.006291 0.339724 0.283867 O\n0.369805 0.917234 0.332264 O\n0.423495 0.542143 0.356789 O\n0.558984 0.210979 0.436629 O\n0.686902 0.768178 0.475258 O\n0.112955 0.063116 0.425809 O\n0.235195 0.667082 0.455267 O\n0.768693 0.332514 0.541563 O\n0.892884 0.930478 0.577308 O\n0.316890 0.234313 0.528491 O\n0.443994 0.790029 0.564674 O\n0.584158 0.459133 0.647926 O\n0.988431 0.639111 0.711661 O\n0.633630 0.092505 0.673876 O\n0.118108 0.325288 0.620274 O\n0.203591 0.972534 0.663900 O\n0.779062 0.750568 0.754413 O\n0.970395 0.980916 0.826555 O\n0.534647 0.781515 0.825885 O\n0.239806 0.629340 0.824696 O\n0.827141 0.341555 0.925013 O\n0.483204 0.254101 0.920248 O\n0.680625 0.587551 0.975704 O\n0.099735 0.345857 0.915796 O\n0.294530 0.050557 0.979830 O\n",
"nsites": 56,
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],
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"formula_full": "Li6 Sb4 P10 O36",
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