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{
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"results": [
{
"id": "mp-554200",
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"structure_string": "Sr4 Y2 Cu6 Pb4 O16\n1.0\n5.368171 0.000000 0.000000\n-0.012792 5.412476 0.000000\n-0.132079 -0.080327 15.676817\nSr Y Cu Pb O\n4 2 6 4 16\ndirect\n0.997684 0.996997 0.778812 Sr\n0.002316 0.003003 0.221188 Sr\n0.502133 0.501245 0.220818 Sr\n0.497867 0.498755 0.779182 Sr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000438 0.500829 0.104033 Cu\n0.500371 0.000119 0.103599 Cu\n0.500000 0.500000 0.500000 Cu\n0.999562 0.499171 0.895967 Cu\n0.499629 0.999881 0.896401 Cu\n0.000000 0.000000 0.500000 Cu\n0.505040 0.987953 0.610491 Pb\n0.004820 0.496991 0.610751 Pb\n0.995180 0.503009 0.389249 Pb\n0.494960 0.012047 0.389509 Pb\n0.004652 0.510244 0.249798 O\n0.250703 0.250688 0.093049 O\n0.249511 0.249249 0.907859 O\n0.750489 0.750751 0.092141 O\n0.501768 0.993603 0.250361 O\n0.995348 0.489756 0.750202 O\n0.749297 0.749312 0.906951 O\n0.453114 0.554346 0.615833 O\n0.498232 0.006397 0.749639 O\n0.249790 0.749886 0.907169 O\n0.750210 0.250114 0.092831 O\n0.968667 0.928638 0.615241 O\n0.546886 0.445654 0.384167 O\n0.031333 0.071362 0.384759 O\n0.749706 0.249855 0.908627 O\n0.250294 0.750145 0.091373 O\n",
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"elements": [
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],
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"formula_full": "Sr4 Y2 Cu6 Pb4 O16",
"formula_reduced": "Sr2YCu3(PbO4)2",
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"updated_at": "2021-11-28T01:35:44.574000Z",
"spacegroup": 2
},
{
"id": "mp-1074213",
"created_at": "2022-09-04T14:42:25.743321Z",
"structure_string": "Mg8 Si14\n1.0\n4.374994 0.000000 0.000000\n0.045637 6.676069 0.000000\n0.065467 1.115319 13.210222\nMg Si\n8 14\ndirect\n0.728710 0.060644 0.911958 Mg\n0.726874 0.423750 0.498408 Mg\n0.227411 0.047978 0.232418 Mg\n0.226378 0.582991 0.657642 Mg\n0.726617 0.520542 0.839041 Mg\n0.226386 0.545318 0.168052 Mg\n0.226935 0.732405 0.420792 Mg\n0.227497 0.091634 0.581353 Mg\n0.729485 0.283398 0.096108 Si\n0.715294 0.655485 0.016878 Si\n0.225730 0.848506 0.820742 Si\n0.231753 0.893353 0.024913 Si\n0.725034 0.799458 0.551675 Si\n0.727976 0.073080 0.406887 Si\n0.731715 0.913906 0.129166 Si\n0.226124 0.226104 0.794191 Si\n0.726029 0.263568 0.692902 Si\n0.727929 0.356250 0.273580 Si\n0.227451 0.285477 0.387809 Si\n0.228776 0.277621 0.981785 Si\n0.727611 0.896203 0.723078 Si\n0.728573 0.725979 0.294223 Si\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.5290058614772803,
"density_atomic": 0.05701830284525603,
"volume": 385.8410177466448,
"volume_molar": 10.561767817508878,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
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"energy": -84.01745078,
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"updated_at": "2021-11-28T01:35:48.465000Z",
"spacegroup": 1
},
{
"id": "mp-1235662",
"created_at": "2022-09-04T14:42:25.796276Z",
"structure_string": "Li1 Y2 Fe4 O8\n1.0\n5.677144 -0.297785 3.373560\n1.781117 5.034682 3.000910\n0.219050 -0.304569 6.598216\nLi Y Fe O\n1 2 4 8\ndirect\n0.859108 0.412731 0.862942 Li\n0.597592 0.651961 0.596727 Y\n0.376598 0.356781 0.378789 Y\n0.040358 0.482628 0.039510 Fe\n0.029846 0.961956 0.030092 Fe\n0.512323 0.994895 0.990064 Fe\n0.989253 0.995472 0.512381 Fe\n0.194562 0.781776 0.767143 O\n0.218049 0.241263 0.789937 O\n0.229082 0.763784 0.228911 O\n0.244985 0.209702 0.246087 O\n0.767987 0.781351 0.193870 O\n0.787861 0.240846 0.220381 O\n0.754967 0.255945 0.756472 O\n0.741178 0.775157 0.740861 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Fe-Li-O-Y",
"density": 4.648001246826374,
"density_atomic": 0.07831410500381623,
"volume": 191.53637776067353,
"volume_molar": 7.689726850235397,
"formula_full": "Li1 Y2 Fe4 O8",
"formula_reduced": "LiY2(FeO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -121.73743423999998,
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"updated_at": "2021-11-28T01:35:45.862000Z",
"spacegroup": 8
},
{
"id": "mp-1206574",
"created_at": "2022-09-04T14:42:25.806068Z",
"structure_string": "Sm2 Ti1 Ge2\n1.0\n3.009014 0.000000 0.000000\n0.000000 3.009014 0.000000\n0.000000 0.000000 14.510657\nSm Ti Ge\n2 1 2\ndirect\n0.500000 0.500000 0.623697 Sm\n0.500000 0.500000 0.376303 Sm\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.173266 Ge\n0.500000 0.500000 0.826734 Ge\n",
"nsites": 5,
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"elements": [
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"Ti",
"Ge"
],
"chemical_system": "Ge-Sm-Ti",
"density": 6.2419978103611555,
"density_atomic": 0.03805699657053116,
"volume": 131.38188639593466,
"volume_molar": 15.824004263812954,
"formula_full": "Sm2 Ti1 Ge2",
"formula_reduced": "Sm2TiGe2",
"formula_anonymous": "AB2C2",
"energy": -23.69938474,
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"updated_at": "2021-11-28T01:35:45.373000Z",
"spacegroup": 123
},
{
"id": "mp-769001",
"created_at": "2022-09-04T14:42:25.825245Z",
"structure_string": "Li12 Sn4 B8 S2 O32\n1.0\n0.000000 6.764726 6.764726\n6.764726 0.000000 6.764726\n6.764726 6.764726 0.000000\nLi Sn B S O\n12 4 8 2 32\ndirect\n0.216599 0.216599 0.783401 Li\n0.783401 0.216599 0.216599 Li\n0.783401 0.216599 0.783401 Li\n0.216599 0.783401 0.216599 Li\n0.466599 0.466599 0.033401 Li\n0.033401 0.466599 0.466599 Li\n0.216599 0.783401 0.783401 Li\n0.783401 0.783401 0.216599 Li\n0.033401 0.466599 0.033401 Li\n0.466599 0.033401 0.466599 Li\n0.033401 0.033401 0.466599 Li\n0.466599 0.033401 0.033401 Li\n0.625000 0.125000 0.625000 Sn\n0.625000 0.625000 0.125000 Sn\n0.125000 0.625000 0.625000 Sn\n0.625000 0.625000 0.625000 Sn\n0.403123 0.403123 0.403123 B\n0.790630 0.403123 0.403123 B\n0.403123 0.403123 0.790630 B\n0.403123 0.790630 0.403123 B\n0.846877 0.459370 0.846877 B\n0.846877 0.846877 0.459370 B\n0.459370 0.846877 0.846877 B\n0.846877 0.846877 0.846877 B\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 S\n0.186040 0.186040 0.186040 O\n0.186040 0.186040 0.441880 O\n0.441880 0.186040 0.186040 O\n0.186040 0.441880 0.186040 O\n0.412731 0.254044 0.542888 O\n0.542888 0.412731 0.254044 O\n0.790338 0.254044 0.412731 O\n0.254044 0.542888 0.412731 O\n0.542888 0.254044 0.790338 O\n0.254044 0.412731 0.790338 O\n0.790338 0.542888 0.254044 O\n0.790338 0.412731 0.542888 O\n0.412731 0.790338 0.254044 O\n0.412731 0.542888 0.790338 O\n0.254044 0.790338 0.542888 O\n0.707112 0.459662 0.837269 O\n0.542888 0.790338 0.412731 O\n0.995956 0.459662 0.707112 O\n0.837269 0.707112 0.459662 O\n0.837269 0.459662 0.995956 O\n0.459662 0.837269 0.707112 O\n0.459662 0.707112 0.995956 O\n0.995956 0.837269 0.459662 O\n0.707112 0.995956 0.459662 O\n0.995956 0.707112 0.837269 O\n0.459662 0.995956 0.837269 O\n0.707112 0.837269 0.995956 O\n0.837269 0.995956 0.707112 O\n0.063960 0.808120 0.063960 O\n0.063960 0.063960 0.808120 O\n0.808120 0.063960 0.063960 O\n0.063960 0.063960 0.063960 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Li",
"Sn",
"B",
"S",
"O"
],
"chemical_system": "B-Li-O-S-Sn",
"density": 3.2740731065974567,
"density_atomic": 0.09368010445627316,
"volume": 619.1282592673936,
"volume_molar": 6.4284095272448605,
"formula_full": "Li12 Sn4 B8 S2 O32",
"formula_reduced": "Li6Sn2B4SO16",
"formula_anonymous": "AB2C4D6E16",
"energy": -401.07131029,
"energy_per_atom": -6.915022591206896,
"energy_above_hull": null,
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"band_gap": 3.47,
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"updated_at": "2021-11-28T01:35:44.248000Z",
"spacegroup": 203
},
{
"id": "mp-1209794",
"created_at": "2022-09-04T14:42:25.829398Z",
"structure_string": "Rb4 Be4 Co2 O12 F16\n1.0\n-6.018335 0.000000 1.486379\n0.079225 0.000000 -8.153646\n0.000000 -11.647075 0.000000\nRb Be Co O F\n4 4 2 12 16\ndirect\n0.849810 0.616773 0.148097 Rb\n0.150190 0.383227 0.851903 Rb\n0.150190 0.883227 0.648097 Rb\n0.849810 0.116773 0.351903 Rb\n0.742014 0.602815 0.847453 Be\n0.257986 0.397185 0.152547 Be\n0.257986 0.897185 0.347453 Be\n0.742014 0.102815 0.652547 Be\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.767502 0.991284 0.936664 O\n0.232498 0.008716 0.063336 O\n0.232498 0.508716 0.436664 O\n0.767502 0.491284 0.563336 O\n0.457563 0.647847 0.606263 O\n0.542437 0.352153 0.393737 O\n0.542437 0.852153 0.106263 O\n0.457563 0.147847 0.893737 O\n0.346801 0.852767 0.900142 O\n0.653199 0.147233 0.099858 O\n0.653199 0.647233 0.400142 O\n0.346801 0.352767 0.599858 O\n0.897392 0.585317 0.745546 F\n0.102608 0.414683 0.254454 F\n0.102608 0.914683 0.245546 F\n0.897392 0.085317 0.754454 F\n0.870612 0.759137 0.925505 F\n0.129388 0.240863 0.074495 F\n0.129388 0.740863 0.425505 F\n0.870612 0.259137 0.574495 F\n0.706210 0.946563 0.572891 F\n0.293790 0.053437 0.427109 F\n0.293790 0.553437 0.072891 F\n0.706210 0.446563 0.927109 F\n0.523570 0.640435 0.801146 F\n0.476430 0.359565 0.198854 F\n0.476430 0.859565 0.301146 F\n0.523570 0.140435 0.698854 F\n",
"nsites": 38,
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"elements": [
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],
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"density": 2.88835940169536,
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"volume": 570.1664222014576,
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"formula_full": "Rb4 Be4 Co2 O12 F16",
"formula_reduced": "Rb2Be2Co(O3F4)2",
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"energy": -186.34144138,
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"updated_at": "2021-11-28T01:35:49.251000Z",
"spacegroup": 14
},
{
"id": "mp-690382",
"created_at": "2022-09-04T14:42:26.813141Z",
"structure_string": "Na18 Mg6 Zr6 P18 O72\n1.0\n9.069827 0.000000 0.000000\n-4.520653 7.874029 0.000000\n-0.035455 -0.079427 22.205031\nNa Mg Zr P O\n18 6 6 18 72\ndirect\n0.665094 0.324885 0.672655 Na\n0.119500 0.222198 0.871137 Na\n0.339095 0.683207 0.832320 Na\n0.545256 0.085923 0.793950 Na\n0.343653 0.667644 0.339039 Na\n0.081688 0.542565 0.708393 Na\n0.038047 0.724972 0.917752 Na\n0.783850 0.568304 0.534838 Na\n0.006736 0.017791 0.498653 Na\n0.210994 0.416144 0.459925 Na\n0.749781 0.883793 0.372394 Na\n0.709380 0.038748 0.584118 Na\n0.904328 0.431651 0.296597 Na\n0.466079 0.915468 0.204292 Na\n0.686029 0.323425 0.165135 Na\n0.895874 0.778782 0.120636 Na\n0.401915 0.185910 0.036388 Na\n0.364780 0.355292 0.256525 Na\n0.129511 0.866830 0.781527 Mg\n0.868999 0.128701 0.715966 Mg\n0.867492 0.137617 0.214098 Mg\n0.795185 0.198106 0.448995 Mg\n0.531916 0.460851 0.383646 Mg\n0.197602 0.801271 0.048897 Mg\n0.805809 0.180214 0.954846 Zr\n0.533888 0.479362 0.880415 Zr\n0.470558 0.523028 0.621522 Zr\n0.199499 0.815338 0.548522 Zr\n0.141422 0.868945 0.287223 Zr\n0.463782 0.531285 0.116375 Zr\n0.802868 0.901946 0.844000 P\n0.289258 0.288000 0.750613 P\n0.233537 0.479018 0.982632 P\n0.433818 0.866599 0.683226 P\n0.371167 0.037316 0.915115 P\n0.473560 0.238409 0.513418 P\n0.870572 0.429930 0.819097 P\n0.955773 0.622619 0.416525 P\n0.902232 0.804206 0.651713 P\n0.093607 0.206555 0.348633 P\n0.033015 0.372186 0.582728 P\n0.126902 0.568889 0.181108 P\n0.534819 0.763642 0.484976 P\n0.621888 0.965885 0.085956 P\n0.571556 0.137492 0.317789 P\n0.766743 0.525621 0.015511 P\n0.701660 0.706495 0.250158 P\n0.196914 0.097339 0.152337 P\n0.714792 0.454038 0.834143 O\n0.671132 0.545075 0.960675 O\n0.839178 0.010756 0.902953 O\n0.386974 0.215001 0.902869 O\n0.772660 0.992095 0.791659 O\n0.633774 0.731030 0.855246 O\n0.418541 0.373204 0.697472 O\n0.366321 0.412695 0.806273 O\n0.336438 0.503651 0.923412 O\n0.459963 0.712795 0.668932 O\n0.603230 0.034901 0.687910 O\n0.556351 0.073729 0.925187 O\n0.118924 0.277966 0.737637 O\n0.379447 0.786673 0.500596 O\n0.067117 0.306647 0.974061 O\n0.205704 0.627467 0.992740 O\n0.326893 0.824112 0.740795 O\n0.337061 0.880241 0.627061 O\n0.299251 0.918165 0.859942 O\n0.511403 0.343424 0.574000 O\n0.051620 0.549280 0.568528 O\n0.259464 0.961202 0.970703 O\n0.446347 0.334628 0.462536 O\n0.302400 0.067785 0.523149 O\n0.035415 0.602704 0.812370 O\n0.891777 0.335284 0.873432 O\n0.078444 0.700314 0.361021 O\n0.280431 0.120093 0.765279 O\n0.824502 0.325117 0.760068 O\n0.036547 0.747690 0.471287 O\n0.997661 0.775888 0.702740 O\n0.998477 0.831596 0.589356 O\n0.118921 0.050123 0.333037 O\n0.268994 0.369395 0.356800 O\n0.956166 0.875735 0.837094 O\n0.216884 0.406276 0.595584 O\n0.784263 0.610935 0.404315 O\n0.045045 0.119054 0.166078 O\n0.732243 0.629245 0.640502 O\n0.866107 0.950370 0.658716 O\n0.991828 0.159210 0.408070 O\n0.002388 0.231158 0.294885 O\n0.964405 0.250955 0.528019 O\n0.178439 0.677521 0.241398 O\n0.720352 0.879674 0.236858 O\n0.916359 0.299749 0.638033 O\n0.110239 0.668884 0.129649 O\n0.963168 0.401610 0.193555 O\n0.700796 0.935714 0.479429 O\n0.556093 0.666787 0.539247 O\n0.742197 0.035572 0.031175 O\n0.944216 0.451463 0.428906 O\n0.490734 0.660033 0.425998 O\n0.699278 0.079756 0.141456 O\n0.665168 0.109869 0.370142 O\n0.670385 0.171510 0.257508 O\n0.778330 0.363770 0.004581 O\n0.936709 0.687068 0.023653 O\n0.625167 0.210046 0.505538 O\n0.881443 0.726052 0.261935 O\n0.447202 0.944720 0.073535 O\n0.398405 0.962938 0.308130 O\n0.537047 0.285493 0.327514 O\n0.654548 0.488906 0.073800 O\n0.627941 0.581419 0.194475 O\n0.581054 0.624750 0.304213 O\n0.367061 0.273779 0.145557 O\n0.233661 0.015271 0.208950 O\n0.601960 0.785452 0.099565 O\n0.170632 0.993230 0.095449 O\n0.330801 0.453087 0.036649 O\n0.284167 0.541113 0.170322 O\n",
"nsites": 120,
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"elements": [
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],
"chemical_system": "Mg-Na-O-P-Zr",
"density": 2.949222257364641,
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