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{
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"results": [
{
"id": "mp-1046973",
"created_at": "2022-09-04T14:39:14.381492Z",
"structure_string": "Nb4 Zn4 Ni2 O16\n1.0\n2.965671 9.654360 0.000000\n-2.965671 9.654360 0.000000\n0.000000 0.031608 5.258352\nNb Zn Ni O\n4 4 2 16\ndirect\n0.725088 0.049140 0.763497 Nb\n0.950860 0.274912 0.736503 Nb\n0.274912 0.950860 0.236503 Nb\n0.049140 0.725088 0.263497 Nb\n0.570001 0.873558 0.735736 Zn\n0.126442 0.429999 0.764264 Zn\n0.429999 0.126442 0.264264 Zn\n0.873558 0.570001 0.235736 Zn\n0.359335 0.640665 0.750000 Ni\n0.640665 0.359335 0.250000 Ni\n0.817479 0.046007 0.422454 O\n0.953993 0.182521 0.077546 O\n0.182521 0.953993 0.577546 O\n0.046007 0.817479 0.922454 O\n0.568278 0.319119 0.913143 O\n0.680881 0.431722 0.586857 O\n0.431722 0.680881 0.086857 O\n0.319119 0.568278 0.413143 O\n0.716614 0.927310 0.059095 O\n0.072690 0.283386 0.440905 O\n0.158748 0.454468 0.133870 O\n0.545532 0.841252 0.366130 O\n0.841252 0.545532 0.866130 O\n0.454468 0.158748 0.633870 O\n0.927310 0.716614 0.559095 O\n0.283386 0.072690 0.940905 O\n",
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"spacegroup": 15
},
{
"id": "mp-1227790",
"created_at": "2022-09-04T14:42:12.014646Z",
"structure_string": "Ba1 Sr2 Y6 O12\n1.0\n0.000000 0.000000 -3.465994\n-10.416348 -0.000009 0.000000\n-5.208165 9.020833 0.000000\nBa Sr Y O\n1 2 6 12\ndirect\n0.750000 0.000003 0.999998 Ba\n0.750000 0.666662 0.666668 Sr\n0.250000 0.333337 0.333331 Sr\n0.250000 0.346382 0.654553 Y\n0.250000 0.999064 0.346382 Y\n0.250000 0.654554 0.999065 Y\n0.750000 0.650900 0.348467 Y\n0.750000 0.000633 0.650901 Y\n0.750000 0.348466 0.000633 Y\n0.750000 0.394978 0.477256 O\n0.750000 0.127765 0.394979 O\n0.750000 0.477256 0.127765 O\n0.250000 0.602920 0.522653 O\n0.250000 0.874427 0.602920 O\n0.250000 0.522653 0.874427 O\n0.750000 0.302396 0.808899 O\n0.750000 0.888706 0.302393 O\n0.750000 0.808902 0.888708 O\n0.250000 0.710952 0.184686 O\n0.250000 0.104360 0.710957 O\n0.250000 0.184683 0.104357 O\n",
"nsites": 21,
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"formula_full": "Ba1 Sr2 Y6 O12",
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},
{
"id": "mp-1222099",
"created_at": "2022-09-04T14:41:10.526756Z",
"structure_string": "Mg1 Cr8 Fe3 O16\n1.0\n-4.279832 -4.279832 0.000000\n0.000000 0.000000 -8.510469\n4.279832 -4.279832 0.000000\nMg Cr Fe O\n1 8 3 16\ndirect\n0.250000 0.125000 0.000000 Mg\n0.750000 0.249817 0.750924 Cr\n0.250000 0.750300 0.249818 Cr\n0.750000 0.249817 0.249076 Cr\n0.250000 0.750300 0.750182 Cr\n0.499818 0.499700 0.000000 Cr\n0.000924 0.000183 0.500000 Cr\n0.000182 0.499700 0.000000 Cr\n0.499076 0.000183 0.500000 Cr\n0.750000 0.625000 0.500000 Fe\n0.750000 0.875046 0.000000 Fe\n0.250000 0.374954 0.500000 Fe\n0.750000 0.487344 0.223599 O\n0.250000 0.989034 0.727344 O\n0.750000 0.487344 0.776401 O\n0.250000 0.989034 0.272656 O\n0.977344 0.260966 0.000000 O\n0.473599 0.762656 0.500000 O\n0.522656 0.260966 0.000000 O\n0.026401 0.762656 0.500000 O\n0.250000 0.512102 0.776603 O\n0.750000 0.011835 0.276763 O\n0.250000 0.512102 0.223397 O\n0.750000 0.011835 0.723237 O\n0.026603 0.737898 0.000000 O\n0.526763 0.238165 0.500000 O\n0.473397 0.737898 0.000000 O\n0.973237 0.238165 0.500000 O\n",
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"formula_full": "Mg1 Cr8 Fe3 O16",
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"energy": -247.40202687,
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"spacegroup": 115
},
{
"id": "mp-1218935",
"created_at": "2022-09-04T14:39:16.935473Z",
"structure_string": "Sr10 Mg5 Mo1 W4 O30\n1.0\n5.660833 0.000000 0.000000\n-2.812248 -4.925698 0.000000\n-2.792739 1.488399 -23.142495\nSr Mg Mo W O\n10 5 1 4 30\ndirect\n0.499402 0.249484 0.749827 Sr\n0.699438 0.849509 0.549817 Sr\n0.899446 0.449506 0.349811 Sr\n0.099212 0.049417 0.149167 Sr\n0.299830 0.649857 0.950431 Sr\n0.900788 0.950583 0.850833 Sr\n0.100554 0.550494 0.650189 Sr\n0.300562 0.150491 0.450183 Sr\n0.500598 0.750516 0.250173 Sr\n0.700170 0.350143 0.049569 Sr\n0.599916 0.300011 0.899792 Mg\n0.800014 0.900004 0.700067 Mg\n0.000000 0.500000 0.500000 Mg\n0.199986 0.099996 0.299933 Mg\n0.400084 0.699989 0.100208 Mg\n0.000000 0.000000 0.000000 Mo\n0.200011 0.599979 0.799945 W\n0.399928 0.199951 0.599960 W\n0.600072 0.800049 0.400040 W\n0.799989 0.400021 0.200055 W\n0.014147 0.251779 0.754775 O\n0.214058 0.851658 0.554691 O\n0.414018 0.451537 0.354662 O\n0.613927 0.051398 0.154577 O\n0.814390 0.652461 0.954780 O\n0.386073 0.948602 0.845423 O\n0.585982 0.548463 0.645338 O\n0.785942 0.148342 0.445309 O\n0.985853 0.748221 0.245225 O\n0.185610 0.347539 0.045220 O\n0.138241 0.040449 0.655560 O\n0.338341 0.640484 0.455514 O\n0.538527 0.240608 0.255461 O\n0.738499 0.840766 0.055262 O\n0.938340 0.440506 0.855699 O\n0.261501 0.159234 0.944738 O\n0.461473 0.759392 0.744539 O\n0.661659 0.359516 0.544486 O\n0.861759 0.959551 0.344440 O\n0.061660 0.559494 0.144301 O\n0.641117 0.090983 0.644518 O\n0.841071 0.691029 0.444494 O\n0.040997 0.291079 0.244421 O\n0.240313 0.891012 0.044376 O\n0.441189 0.491022 0.844607 O\n0.759687 0.108988 0.955624 O\n0.959003 0.708921 0.755579 O\n0.158929 0.308971 0.555506 O\n0.358883 0.909017 0.355482 O\n0.558811 0.508978 0.155393 O\n",
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"elements": [
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],
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"density_atomic": 0.07748394096265299,
"volume": 645.2950040847799,
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"formula_full": "Sr10 Mg5 Mo1 W4 O30",
"formula_reduced": "Sr10Mg5Mo(W2O15)2",
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"energy": -384.18724214,
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"spacegroup": 2
},
{
"id": "mp-757928",
"created_at": "2022-09-04T14:47:16.360791Z",
"structure_string": "Li6 Co6 P6 O24\n1.0\n4.239055 -7.342259 0.000000\n4.239055 7.342259 0.000000\n0.000000 0.000000 7.486558\nLi Co P O\n6 6 6 24\ndirect\n0.013092 0.682186 0.407437 Li\n0.317814 0.330906 0.407437 Li\n0.669094 0.986908 0.407437 Li\n0.330906 0.013092 0.907437 Li\n0.682186 0.669094 0.907437 Li\n0.986908 0.317814 0.907437 Li\n0.333333 0.666667 0.297057 Co\n0.333333 0.666667 0.699656 Co\n0.000000 0.000000 0.139579 Co\n0.000000 0.000000 0.639579 Co\n0.666667 0.333333 0.797057 Co\n0.666667 0.333333 0.199656 Co\n0.036519 0.675930 0.005648 P\n0.324070 0.360589 0.005648 P\n0.639411 0.963481 0.005648 P\n0.360589 0.036519 0.505648 P\n0.675930 0.639411 0.505648 P\n0.963481 0.324070 0.505648 P\n0.146151 0.929994 0.503612 O\n0.143880 0.722061 0.182701 O\n0.172956 0.743054 0.848496 O\n0.105608 0.527925 0.496350 O\n0.422317 0.894392 0.496350 O\n0.070006 0.216157 0.503612 O\n0.256946 0.429901 0.848496 O\n0.277939 0.421819 0.182701 O\n0.216157 0.146151 0.003612 O\n0.578181 0.856120 0.182701 O\n0.570099 0.827044 0.848496 O\n0.472075 0.577683 0.496350 O\n0.527925 0.422317 0.996350 O\n0.429901 0.172956 0.348496 O\n0.421819 0.143880 0.682701 O\n0.783843 0.853849 0.503612 O\n0.722061 0.578181 0.682701 O\n0.743054 0.570099 0.348496 O\n0.929994 0.783843 0.003612 O\n0.577683 0.105608 0.996350 O\n0.894392 0.472075 0.996350 O\n0.827044 0.256946 0.348496 O\n0.856120 0.277939 0.682701 O\n0.853849 0.070006 0.003612 O\n",
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{
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"structure_string": "Ca4 Pb4 I16\n1.0\n7.851839 0.000000 0.000000\n0.000000 9.745224 0.000000\n0.000000 0.820266 15.505820\nCa Pb I\n4 4 16\ndirect\n0.505106 0.870828 0.869774 Ca\n0.994894 0.870828 0.369774 Ca\n0.005106 0.129172 0.630226 Ca\n0.494894 0.129172 0.130226 Ca\n0.820558 0.680985 0.616756 Pb\n0.679442 0.680985 0.116756 Pb\n0.320558 0.319015 0.883244 Pb\n0.179442 0.319015 0.383244 Pb\n0.668904 0.958321 0.687070 I\n0.831096 0.958321 0.187070 I\n0.152193 0.841266 0.558504 I\n0.347807 0.841266 0.058504 I\n0.814176 0.691322 0.933384 I\n0.685824 0.691322 0.433384 I\n0.328435 0.622723 0.794698 I\n0.171565 0.622723 0.294698 I\n0.828435 0.377277 0.705302 I\n0.671565 0.377277 0.205302 I\n0.314176 0.308678 0.566616 I\n0.185824 0.308678 0.066616 I\n0.652193 0.158734 0.941496 I\n0.847807 0.158734 0.441496 I\n0.168904 0.041679 0.812930 I\n0.331096 0.041679 0.312930 I\n",
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},
{
"id": "mp-756401",
"created_at": "2022-09-04T14:40:17.206892Z",
"structure_string": "Ta2 As2 O8\n1.0\n1.970164 -7.308247 0.000000\n1.970164 7.308247 0.000000\n0.000000 0.000000 5.678001\nTa As O\n2 2 8\ndirect\n0.590992 0.409008 0.699239 Ta\n0.409008 0.590992 0.199239 Ta\n0.821075 0.178925 0.809004 As\n0.178925 0.821075 0.309004 As\n0.892255 0.107745 0.123258 O\n0.703630 0.296370 0.897074 O\n0.673291 0.326709 0.410260 O\n0.517427 0.482573 0.976364 O\n0.482573 0.517427 0.476364 O\n0.326709 0.673291 0.910260 O\n0.296370 0.703630 0.397074 O\n0.107745 0.892255 0.623258 O\n",
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{
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"structure_string": "Na4 H16 C4 S8 N12 O8\n1.0\n6.005893 0.000000 0.000000\n0.000000 18.470823 0.000000\n-3.156974 0.000000 6.525159\nNa H C S N O\n4 16 4 8 12 8\ndirect\n0.168931 0.503169 0.347266 Na\n0.168931 0.996831 0.847266 Na\n0.831069 0.496831 0.652734 Na\n0.831069 0.003169 0.152734 Na\n0.304893 0.575579 0.740627 H\n0.304893 0.924421 0.240627 H\n0.695107 0.424421 0.259373 H\n0.695107 0.075579 0.759373 H\n0.084801 0.623838 0.592645 H\n0.084801 0.876162 0.092645 H\n0.915199 0.376162 0.407355 H\n0.915199 0.123838 0.907355 H\n0.550350 0.623483 0.412132 H\n0.550350 0.876517 0.912132 H\n0.449650 0.376517 0.587868 H\n0.449650 0.123483 0.087868 H\n0.569019 0.568393 0.258768 H\n0.569019 0.931607 0.758768 H\n0.430981 0.431607 0.741232 H\n0.430981 0.068393 0.241232 H\n0.769376 0.839365 0.496315 C\n0.769376 0.660635 0.996315 C\n0.230624 0.160635 0.503685 C\n0.230624 0.339365 0.003685 C\n0.054687 0.798680 0.568805 S\n0.054687 0.701320 0.068805 S\n0.945313 0.201320 0.431195 S\n0.945313 0.298680 0.931195 S\n0.718728 0.930202 0.495398 S\n0.718728 0.569798 0.995398 S\n0.281272 0.069798 0.504602 S\n0.281272 0.430202 0.004602 S\n0.687860 0.721103 0.464059 N\n0.687860 0.778897 0.964059 N\n0.312140 0.278897 0.535941 N\n0.312140 0.221103 0.035941 N\n0.925968 0.715910 0.527498 N\n0.925968 0.784090 0.027498 N\n0.074032 0.284090 0.472502 N\n0.074032 0.215910 0.972502 N\n0.593403 0.787463 0.443667 N\n0.593403 0.712537 0.943667 N\n0.406597 0.212537 0.556333 N\n0.406597 0.287463 0.056333 N\n0.141326 0.572954 0.620604 O\n0.141326 0.927046 0.120604 O\n0.858674 0.427046 0.379396 O\n0.858674 0.072954 0.879396 O\n0.529574 0.571193 0.377000 O\n0.529574 0.928807 0.877000 O\n0.470426 0.428807 0.623000 O\n0.470426 0.071193 0.123000 O\n",
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