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{
"id": "mp-1212926",
"created_at": "2022-09-04T14:43:45.248655Z",
"structure_string": "Eu4 W4 O8\n1.0\n-3.258306 3.258306 6.180417\n3.258306 -3.258306 6.180417\n3.258306 3.258306 -6.180417\nEu W O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Eu\n0.375000 0.625000 0.750000 Eu\n0.375000 0.625000 0.250000 Eu\n0.375000 0.125000 0.750000 Eu\n0.375000 0.125000 0.250000 W\n0.875000 0.125000 0.750000 W\n0.875000 0.125000 0.250000 W\n0.875000 0.625000 0.750000 W\n0.172350 0.386825 0.214475 O\n0.172350 0.957875 0.785525 O\n0.136825 0.422350 0.714475 O\n0.577650 0.863175 0.285525 O\n0.707875 0.422350 0.285525 O\n0.577650 0.292125 0.714475 O\n0.613175 0.827650 0.785525 O\n0.042125 0.827650 0.214475 O\n",
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{
"id": "mp-1226244",
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"structure_string": "Cr12 Cd2 Cu4 O24\n1.0\n-0.000567 -6.115386 0.000000\n0.000000 0.000000 -8.435510\n9.159486 -3.056843 -4.217755\nCr Cd Cu O\n12 2 4 24\ndirect\n0.084059 0.707526 0.834009 Cr\n0.417120 0.044934 0.168721 Cr\n0.752645 0.373464 0.496686 Cr\n0.582607 0.208202 0.832657 Cr\n0.914022 0.536817 0.169981 Cr\n0.249547 0.880322 0.497946 Cr\n0.246630 0.370078 0.004601 Cr\n0.585906 0.712301 0.333988 Cr\n0.917396 0.040606 0.663843 Cr\n0.420037 0.041345 0.662066 Cr\n0.749271 0.371114 0.002824 Cr\n0.080760 0.712956 0.332678 Cr\n0.167151 0.417721 0.665585 Cd\n0.499516 0.749972 0.001082 Cd\n0.833333 0.082987 0.333333 Cu\n0.999499 0.000785 0.000867 Cu\n0.333333 0.331737 0.333333 Cu\n0.667168 0.668319 0.665800 Cu\n0.457818 0.276478 0.662834 O\n0.788656 0.607191 0.001077 O\n0.110150 0.953360 0.332200 O\n0.279555 0.130883 0.002049 O\n0.610033 0.468591 0.334428 O\n0.947314 0.798462 0.666730 O\n0.208849 0.605979 0.003833 O\n0.556516 0.952226 0.334466 O\n0.878011 0.274935 0.665590 O\n0.719353 0.131858 0.999937 O\n0.056633 0.469686 0.332238 O\n0.387112 0.799599 0.664618 O\n0.071230 0.457709 0.861635 O\n0.405286 0.797925 0.193438 O\n0.744227 0.124352 0.514603 O\n0.427440 0.293044 0.148617 O\n0.761276 0.625002 0.481029 O\n0.095798 0.961228 0.811726 O\n0.595437 0.986009 0.805032 O\n0.922439 0.305622 0.152063 O\n0.261381 0.658030 0.473229 O\n0.570869 0.439621 0.854941 O\n0.905391 0.772696 0.185638 O\n0.239226 0.108328 0.518049 O\n",
"nsites": 42,
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"elements": [
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],
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"density": 5.22545585731362,
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"volume": 472.5195270421996,
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"formula_full": "Cr12 Cd2 Cu4 O24",
"formula_reduced": "Cr6Cd(CuO6)2",
"formula_anonymous": "AB2C6D12",
"energy": -336.61578014,
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"spacegroup": 44
},
{
"id": "mp-1073562",
"created_at": "2022-09-04T14:43:45.742774Z",
"structure_string": "Mg4 Si8\n1.0\n5.164897 0.000000 0.000000\n2.410168 5.127053 0.000000\n0.622466 0.574787 7.641980\nMg Si\n4 8\ndirect\n0.363915 0.921165 0.754295 Mg\n0.195446 0.020915 0.120088 Mg\n0.538651 0.713801 0.408740 Mg\n0.292486 0.459563 0.903506 Mg\n0.614732 0.204968 0.200986 Si\n0.837635 0.396892 0.752875 Si\n0.026490 0.181764 0.464394 Si\n0.523207 0.228752 0.519699 Si\n0.735319 0.581240 0.062306 Si\n0.805798 0.977421 0.905125 Si\n0.109951 0.546935 0.302534 Si\n0.956443 0.766353 0.605670 Si\n",
"nsites": 12,
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"elements": [
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"density": 2.6414360575969997,
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"volume": 202.36498481855716,
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"formula_full": "Mg4 Si8",
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"energy": -46.87189497,
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"spacegroup": 1
},
{
"id": "mp-773194",
"created_at": "2022-09-04T14:43:46.292150Z",
"structure_string": "Li4 Mn5 V3 O16\n1.0\n5.798324 0.000000 0.000000\n-2.832814 -5.248494 0.000000\n-0.227624 0.087463 -9.653108\nLi Mn V O\n4 5 3 16\ndirect\n0.670950 0.336024 0.895645 Li\n0.985992 0.971729 0.994346 Li\n0.997202 0.021461 0.494732 Li\n0.338573 0.666530 0.396846 Li\n0.673354 0.350539 0.487309 Mn\n0.830201 0.154176 0.212288 Mn\n0.325957 0.646184 0.987166 Mn\n0.669089 0.844004 0.713849 Mn\n0.170830 0.357051 0.714252 Mn\n0.828351 0.644809 0.215163 V\n0.333993 0.146542 0.212931 V\n0.185743 0.862149 0.712692 V\n0.856892 0.706887 0.608022 O\n0.511320 0.467467 0.338601 O\n0.662839 0.317179 0.106015 O\n0.993878 0.984767 0.309994 O\n0.011193 0.031634 0.809217 O\n0.324618 0.180231 0.603570 O\n0.964024 0.498299 0.342099 O\n0.513055 0.028342 0.331393 O\n0.160479 0.814890 0.104223 O\n0.847252 0.196659 0.598397 O\n0.481517 0.977675 0.826940 O\n0.044274 0.534930 0.836645 O\n0.330499 0.670331 0.608937 O\n0.660887 0.787925 0.097899 O\n0.470895 0.513560 0.843527 O\n0.156445 0.288326 0.105149 O\n",
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"elements": [
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],
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"volume": 293.7679072999348,
"volume_molar": 6.318256030467282,
"formula_full": "Li4 Mn5 V3 O16",
"formula_reduced": "Li4Mn5V3O16",
"formula_anonymous": "A3B4C5D16",
"energy": -222.57464886,
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},
{
"id": "mp-775157",
"created_at": "2022-09-04T14:43:46.303688Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n5.912350 -8.390683 0.000000\n5.912350 8.390683 0.000000\n-5.995531 0.000000 8.331449\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.373217 0.126783 0.250000 Li\n0.623904 0.250000 0.876096 Li\n0.250000 0.876096 0.623904 Li\n0.126783 0.250000 0.373217 Li\n0.750000 0.626783 0.873217 Li\n0.876096 0.623904 0.250000 Li\n0.123904 0.376096 0.750000 Li\n0.250000 0.373217 0.126783 Li\n0.873217 0.750000 0.626783 Li\n0.750000 0.123904 0.376096 Li\n0.376096 0.750000 0.123904 Li\n0.626783 0.873217 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.751911 0.376027 0.625456 P\n0.123973 0.748089 0.874544 P\n0.374544 0.248089 0.623973 P\n0.125456 0.876027 0.251911 P\n0.623973 0.374544 0.248089 P\n0.251911 0.125456 0.876027 P\n0.748089 0.874544 0.123973 P\n0.874544 0.123973 0.748089 P\n0.376027 0.625456 0.751911 P\n0.625456 0.751911 0.376027 P\n0.876027 0.251911 0.125456 P\n0.248089 0.623973 0.374544 P\n0.591121 0.200315 0.204616 O\n0.795384 0.408879 0.799685 O\n0.882331 0.390147 0.090518 O\n0.611505 0.201342 0.494419 O\n0.298658 0.888495 0.005581 O\n0.299685 0.908879 0.295384 O\n0.409482 0.109853 0.617669 O\n0.379680 0.287231 0.492504 O\n0.505581 0.388495 0.798658 O\n0.617669 0.409482 0.109853 O\n0.992504 0.787231 0.879680 O\n0.109853 0.617669 0.409482 O\n0.390147 0.090518 0.882331 O\n0.994419 0.701342 0.111505 O\n0.120320 0.007496 0.212769 O\n0.090518 0.882331 0.390147 O\n0.712769 0.507496 0.620320 O\n0.091121 0.704616 0.700315 O\n0.200315 0.204616 0.591121 O\n0.492504 0.379680 0.287231 O\n0.295384 0.299685 0.908879 O\n0.111505 0.994419 0.701342 O\n0.787231 0.879680 0.992504 O\n0.798658 0.505581 0.388495 O\n0.201342 0.494419 0.611505 O\n0.212769 0.120320 0.007496 O\n0.888495 0.005581 0.298658 O\n0.704616 0.700315 0.091121 O\n0.507496 0.620320 0.712769 O\n0.799685 0.795384 0.408879 O\n0.908879 0.295384 0.299685 O\n0.287231 0.492504 0.379680 O\n0.909482 0.117669 0.609853 O\n0.879680 0.992504 0.787231 O\n0.005581 0.298658 0.888495 O\n0.609853 0.909482 0.117669 O\n0.890147 0.382331 0.590518 O\n0.007496 0.212769 0.120320 O\n0.382331 0.590518 0.890147 O\n0.494419 0.611505 0.201342 O\n0.620320 0.712769 0.507496 O\n0.590518 0.890147 0.382331 O\n0.700315 0.091121 0.704616 O\n0.701342 0.111505 0.994419 O\n0.388495 0.798658 0.505581 O\n0.117669 0.609853 0.909482 O\n0.204616 0.591121 0.200315 O\n0.408879 0.799685 0.795384 O\n",
"nsites": 80,
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"density": 3.29139887590701,
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"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
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"energy": -608.9703890799999,
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{
"id": "mp-1177790",
"created_at": "2022-09-04T14:43:46.361971Z",
"structure_string": "Li12 V6 F36\n1.0\n8.597705 0.000000 0.000000\n4.190363 7.554932 0.000000\n1.044649 0.550205 10.189305\nLi V F\n12 6 36\ndirect\n0.060913 0.334091 0.075112 Li\n0.123285 0.542827 0.542867 Li\n0.540629 0.136710 0.050018 Li\n0.337880 0.622201 0.028806 Li\n0.370150 0.669433 0.474629 Li\n0.713486 0.005409 0.771835 Li\n0.799705 0.197285 0.254792 Li\n0.453149 0.880466 0.955249 Li\n0.870723 0.448663 0.452491 Li\n0.652004 0.946272 0.434052 Li\n0.001692 0.277372 0.718959 Li\n0.941436 0.656687 0.931254 Li\n0.009548 0.996899 0.499028 V\n0.334375 0.336345 0.296748 V\n0.999653 0.995995 0.000721 V\n0.335352 0.339635 0.790687 V\n0.659882 0.669121 0.205340 V\n0.658285 0.666636 0.705664 V\n0.055316 0.081506 0.338976 F\n0.059960 0.081185 0.845032 F\n0.108504 0.418271 0.390711 F\n0.113079 0.413682 0.895543 F\n0.272864 0.243626 0.158555 F\n0.226462 0.276490 0.670544 F\n0.093272 0.761944 0.448372 F\n0.419226 0.121424 0.386164 F\n0.258563 0.542934 0.194089 F\n0.084699 0.761112 0.947642 F\n0.428108 0.110970 0.890221 F\n0.245796 0.556649 0.695464 F\n0.393234 0.438665 0.426032 F\n0.235730 0.907828 0.050746 F\n0.565214 0.245627 0.201096 F\n0.409433 0.413279 0.927878 F\n0.237177 0.909310 0.554078 F\n0.548931 0.242345 0.698270 F\n0.452055 0.742986 0.303695 F\n0.777005 0.075702 0.429354 F\n0.563921 0.605631 0.074635 F\n0.447234 0.748196 0.810501 F\n0.769540 0.064441 0.935489 F\n0.586199 0.587794 0.571665 F\n0.758849 0.439532 0.296311 F\n0.586713 0.888066 0.105605 F\n0.921299 0.222660 0.072026 F\n0.761129 0.455062 0.799886 F\n0.602461 0.878841 0.613416 F\n0.931893 0.229324 0.563364 F\n0.752211 0.735554 0.337119 F\n0.736487 0.768868 0.834456 F\n0.881100 0.581731 0.104680 F\n0.890616 0.568936 0.607317 F\n0.918618 0.942747 0.159237 F\n0.918820 0.938559 0.655642 F\n",
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"formula_full": "Li12 V6 F36",
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{
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"structure_string": "La3 Zn3 Ni3\n1.0\n3.633281 -6.293027 0.000000\n3.633281 6.293027 0.000000\n0.000000 0.000000 3.942723\nLa Zn Ni\n3 3 3\ndirect\n0.000000 0.583896 0.000000 La\n0.416104 0.416104 0.000000 La\n0.583896 0.000000 0.000000 La\n0.228892 0.000000 0.500000 Zn\n0.771108 0.771108 0.500000 Zn\n0.000000 0.228892 0.500000 Zn\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.500000 Ni\n0.333333 0.666667 0.500000 Ni\n",
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{
"id": "mp-1094802",
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"structure_string": "Mg1 Sn3\n1.0\n4.723437 0.000000 0.000000\n0.000000 4.723437 0.000000\n0.000000 0.000000 4.723437\nMg Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n",
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{
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{
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}