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{
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"results": [
{
"id": "mp-1273342",
"created_at": "2022-09-04T14:48:02.942934Z",
"structure_string": "Li6 Co4 Ni2 O12\n1.0\n-0.016384 -1.581275 2.537124\n-9.363118 -2.983955 0.025381\n2.376404 -6.889520 -2.404253\nLi Co Ni O\n6 4 2 12\ndirect\n0.086136 0.247465 0.590219 Li\n0.585456 0.747779 0.086176 Li\n0.245988 0.748571 0.741559 Li\n0.750525 0.248051 0.237618 Li\n0.920193 0.750603 0.414676 Li\n0.413336 0.251780 0.915999 Li\n0.163049 0.496811 0.162959 Co\n0.996388 0.004550 0.008085 Co\n0.499291 0.505450 0.507774 Co\n0.667572 0.996539 0.665300 Co\n0.331391 0.997394 0.330407 Ni\n0.834397 0.496556 0.829502 Ni\n0.878788 0.620247 0.618116 O\n0.378689 0.121442 0.118516 O\n0.241476 0.883209 0.550402 O\n0.748820 0.383965 0.048508 O\n0.693604 0.106969 0.475934 O\n0.201260 0.609335 0.976862 O\n0.965379 0.883348 0.194750 O\n0.466725 0.381966 0.692461 O\n0.084305 0.110975 0.789441 O\n0.579798 0.610325 0.289300 O\n0.626951 0.889362 0.860729 O\n0.132314 0.392924 0.357875 O\n",
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"spacegroup": 1
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{
"id": "mp-706525",
"created_at": "2022-09-04T14:48:02.835670Z",
"structure_string": "Na4 Al12 P8 H16 O48\n1.0\n10.255425 0.000000 0.000000\n0.000000 7.171583 0.000000\n0.000000 5.602934 11.254144\nNa Al P H O\n4 12 8 16 48\ndirect\n0.424247 0.265734 0.195969 Na\n0.075753 0.265734 0.695969 Na\n0.575753 0.734266 0.804031 Na\n0.924247 0.734266 0.304031 Na\n0.280272 0.483069 0.456005 Al\n0.219728 0.483069 0.956005 Al\n0.719728 0.516931 0.543995 Al\n0.780272 0.516931 0.043995 Al\n0.433865 0.753192 0.237022 Al\n0.066135 0.753192 0.737022 Al\n0.566135 0.246808 0.762978 Al\n0.933865 0.246808 0.262978 Al\n0.246965 0.028079 0.041379 Al\n0.253035 0.028079 0.541379 Al\n0.753035 0.971921 0.958621 Al\n0.746965 0.971921 0.458621 Al\n0.188490 0.945894 0.319335 P\n0.311510 0.945894 0.819335 P\n0.811510 0.054106 0.680665 P\n0.688490 0.054106 0.180665 P\n0.171337 0.560680 0.188294 P\n0.328663 0.560680 0.688294 P\n0.828663 0.439320 0.811706 P\n0.671337 0.439320 0.311706 P\n0.490361 0.699710 0.434657 H\n0.009639 0.699710 0.934657 H\n0.509639 0.300290 0.565343 H\n0.990361 0.300290 0.065343 H\n0.403357 0.779152 0.032035 H\n0.096643 0.779152 0.532035 H\n0.596643 0.220848 0.967965 H\n0.903357 0.220848 0.467965 H\n0.095675 0.314739 0.426841 H\n0.404325 0.314739 0.926841 H\n0.904325 0.685261 0.573159 H\n0.595675 0.685261 0.073159 H\n0.453387 0.216188 0.451081 H\n0.046613 0.216188 0.951081 H\n0.546613 0.783812 0.548919 H\n0.953387 0.783812 0.048919 H\n0.421677 0.652351 0.396686 O\n0.078323 0.652351 0.896686 O\n0.578323 0.347649 0.603314 O\n0.921677 0.347649 0.103314 O\n0.394233 0.856106 0.079152 O\n0.105767 0.856106 0.579152 O\n0.605767 0.143894 0.920848 O\n0.894233 0.143894 0.420848 O\n0.149739 0.281681 0.497483 O\n0.350261 0.281681 0.997483 O\n0.850261 0.718319 0.502517 O\n0.649739 0.718319 0.002517 O\n0.113986 0.227781 0.003210 O\n0.386014 0.227781 0.503210 O\n0.886014 0.772219 0.996790 O\n0.613986 0.772219 0.496790 O\n0.261298 0.049249 0.386168 O\n0.238702 0.049249 0.886168 O\n0.738702 0.950751 0.613832 O\n0.761298 0.950751 0.113832 O\n0.279535 0.970289 0.212796 O\n0.220465 0.970289 0.712796 O\n0.720465 0.029711 0.787204 O\n0.779535 0.029711 0.287204 O\n0.284437 0.544037 0.276804 O\n0.215563 0.544037 0.776804 O\n0.715563 0.455963 0.723196 O\n0.784437 0.455963 0.223196 O\n0.219064 0.455529 0.112295 O\n0.280936 0.455529 0.612295 O\n0.780936 0.544471 0.887705 O\n0.719064 0.544471 0.387705 O\n0.160207 0.711201 0.402443 O\n0.339793 0.711201 0.902443 O\n0.839793 0.288799 0.597557 O\n0.660207 0.288799 0.097557 O\n0.130614 0.789913 0.109999 O\n0.369386 0.789913 0.609999 O\n0.869386 0.210087 0.890001 O\n0.630614 0.210087 0.390001 O\n0.054103 0.044285 0.273087 O\n0.445897 0.044285 0.773087 O\n0.945897 0.955715 0.726913 O\n0.554103 0.955715 0.226913 O\n0.051557 0.445361 0.266272 O\n0.448443 0.445361 0.766272 O\n0.948443 0.554639 0.733728 O\n0.551557 0.554639 0.233728 O\n",
"nsites": 88,
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"elements": [
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"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-H-Na-O-P",
"density": 2.904184981807884,
"density_atomic": 0.10631670599551138,
"volume": 827.7156367477685,
"volume_molar": 5.664340992895559,
"formula_full": "Na4 Al12 P8 H16 O48",
"formula_reduced": "NaAl3P2(HO3)4",
"formula_anonymous": "AB2C3D4E12",
"energy": -614.19310386,
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"total_magnetization": 1e-06,
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"updated_at": "2021-11-28T01:38:24.082000Z",
"spacegroup": 14
},
{
"id": "mp-1208357",
"created_at": "2022-09-04T14:48:02.847460Z",
"structure_string": "Tm4 S6 O40\n1.0\n3.284728 6.701890 0.000000\n-3.284728 6.701890 0.000000\n0.000000 2.924808 17.945491\nTm S O\n4 6 40\ndirect\n0.811638 0.848875 0.894860 Tm\n0.188362 0.151125 0.105140 Tm\n0.151125 0.188362 0.605140 Tm\n0.848875 0.811638 0.394860 Tm\n0.755318 0.811937 0.590660 S\n0.244682 0.188063 0.409340 S\n0.188063 0.244682 0.909340 S\n0.811937 0.755318 0.090660 S\n0.713115 0.286885 0.750000 S\n0.286885 0.713115 0.250000 S\n0.340961 0.265650 0.684101 O\n0.659039 0.734350 0.315899 O\n0.734350 0.659039 0.815899 O\n0.265650 0.340961 0.184101 O\n0.308043 0.378527 0.570127 O\n0.691957 0.621473 0.429873 O\n0.621473 0.691957 0.929873 O\n0.378527 0.308043 0.070127 O\n0.520325 0.886303 0.614370 O\n0.479675 0.113697 0.385630 O\n0.113697 0.479675 0.885630 O\n0.886303 0.520325 0.114370 O\n0.763624 0.907839 0.514118 O\n0.236376 0.092161 0.485882 O\n0.092161 0.236376 0.985882 O\n0.907839 0.763624 0.014118 O\n0.536486 0.383067 0.695510 O\n0.463514 0.616933 0.304490 O\n0.616933 0.463514 0.804490 O\n0.383067 0.536486 0.195510 O\n0.816289 0.888267 0.647123 O\n0.183711 0.111733 0.352877 O\n0.111733 0.183711 0.852877 O\n0.888267 0.816289 0.147123 O\n0.440227 0.093670 0.909406 O\n0.559773 0.906330 0.090594 O\n0.906330 0.559773 0.590594 O\n0.093670 0.440227 0.409406 O\n0.109463 0.884331 0.627913 O\n0.890537 0.115669 0.372087 O\n0.115669 0.890537 0.872087 O\n0.884331 0.109463 0.127913 O\n0.802361 0.126270 0.937241 O\n0.197639 0.873730 0.062759 O\n0.873730 0.197639 0.562759 O\n0.126270 0.802361 0.437241 O\n0.764060 0.072676 0.789477 O\n0.235940 0.927324 0.210523 O\n0.927324 0.235940 0.710523 O\n0.072676 0.764060 0.289477 O\n",
"nsites": 50,
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"elements": [
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"S",
"O"
],
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"density": 3.1695529124508965,
"density_atomic": 0.06328313058426269,
"volume": 790.0999766979614,
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"formula_full": "Tm4 S6 O40",
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"updated_at": "2021-11-28T01:38:19.429000Z",
"spacegroup": 15
},
{
"id": "mp-1287629",
"created_at": "2022-09-04T14:48:02.851321Z",
"structure_string": "Li4 Mn6 Nb2 O16\n1.0\n3.105289 -5.377727 0.000762\n6.118853 -0.052979 0.177578\n-2.762218 -1.595912 9.712489\nLi Mn Nb O\n4 6 2 16\ndirect\n0.306894 0.386244 0.570110 Li\n0.806869 0.386248 0.070114 Li\n0.192130 0.615747 0.930100 Li\n0.692078 0.615808 0.430107 Li\n0.750027 0.999192 0.750833 Mn\n0.250761 0.999244 0.750846 Mn\n0.002443 0.995137 0.498045 Mn\n0.250053 0.999214 0.250857 Mn\n0.750666 0.999295 0.250830 Mn\n0.502431 0.995166 0.997965 Mn\n0.752597 0.494848 0.746697 Nb\n0.252513 0.494865 0.246677 Nb\n0.094873 0.810284 0.637389 O\n0.594886 0.810231 0.137388 O\n0.405047 0.189925 0.863623 O\n0.905001 0.189999 0.363613 O\n0.863392 0.273176 0.871581 O\n0.363410 0.273179 0.371573 O\n0.648881 0.245604 0.638078 O\n0.148853 0.245614 0.138081 O\n0.105590 0.245707 0.638154 O\n0.605560 0.245654 0.138111 O\n0.394950 0.755791 0.862306 O\n0.894931 0.755798 0.362280 O\n0.849207 0.755803 0.862330 O\n0.349115 0.755872 0.362353 O\n0.633413 0.733173 0.629981 O\n0.133430 0.733182 0.129979 O\n",
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],
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"density_atomic": 0.08708987024066486,
"volume": 321.5069665694135,
"volume_molar": 6.914857885720082,
"formula_full": "Li4 Mn6 Nb2 O16",
"formula_reduced": "Li2Mn3NbO8",
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{
"id": "mp-1208918",
"created_at": "2022-09-04T14:48:02.870684Z",
"structure_string": "Y8 B16 Ru16\n1.0\n9.234554 0.000000 0.000000\n0.000000 9.234554 0.000000\n-4.617277 -4.617277 7.273779\nY B Ru\n8 16 16\ndirect\n0.125000 0.375000 0.250000 Y\n0.125000 0.875000 0.250000 Y\n0.125000 0.875000 0.750000 Y\n0.625000 0.375000 0.250000 Y\n0.625000 0.875000 0.750000 Y\n0.625000 0.875000 0.250000 Y\n0.625000 0.375000 0.750000 Y\n0.125000 0.375000 0.750000 Y\n0.294637 0.398709 0.585717 B\n0.291079 0.187007 0.585717 B\n0.437007 0.044637 0.085717 B\n0.455363 0.062993 0.914283 B\n0.955363 0.351291 0.914283 B\n0.648709 0.041079 0.085717 B\n0.458921 0.851291 0.914283 B\n0.958921 0.562993 0.914283 B\n0.312993 0.208921 0.414283 B\n0.812993 0.705363 0.414283 B\n0.101291 0.205363 0.414283 B\n0.601291 0.708921 0.414283 B\n0.794637 0.687007 0.585717 B\n0.791079 0.898709 0.585717 B\n0.148709 0.544637 0.085717 B\n0.937007 0.541079 0.085717 B\n0.538303 0.190285 0.378756 Ru\n0.840454 0.188472 0.378756 Ru\n0.438472 0.288303 0.878756 Ru\n0.211697 0.061528 0.121244 Ru\n0.711697 0.559715 0.121244 Ru\n0.440285 0.590454 0.878756 Ru\n0.909546 0.059715 0.121244 Ru\n0.409546 0.561528 0.121244 Ru\n0.311528 0.659546 0.621244 Ru\n0.811528 0.461697 0.621244 Ru\n0.309715 0.961697 0.621244 Ru\n0.809715 0.159546 0.621244 Ru\n0.038303 0.688472 0.378756 Ru\n0.340454 0.690285 0.378756 Ru\n0.940285 0.788303 0.878756 Ru\n0.938472 0.090454 0.878756 Ru\n",
"nsites": 40,
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"B",
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],
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"density": 6.696229959406163,
"density_atomic": 0.06448638609759315,
"volume": 620.28596143478,
"volume_molar": 9.338623428030441,
"formula_full": "Y8 B16 Ru16",
"formula_reduced": "Y(BRu)2",
"formula_anonymous": "AB2C2",
"energy": -304.07725779,
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"spacegroup": 134
},
{
"id": "mp-725147",
"created_at": "2022-09-04T14:48:02.874108Z",
"structure_string": "Mo2 N6 Cl12\n1.0\n8.902246 0.000000 0.000000\n0.000000 8.902246 0.000000\n0.000000 0.000000 7.389931\nMo N Cl\n2 6 12\ndirect\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.086841 0.736788 0.500000 N\n0.913159 0.263212 0.500000 N\n0.263212 0.086841 0.000000 N\n0.736788 0.913159 0.000000 N\n0.749906 0.929174 0.500000 Cl\n0.250094 0.070826 0.500000 Cl\n0.070826 0.749906 0.000000 Cl\n0.929174 0.250094 0.000000 Cl\n0.450531 0.822719 0.278695 Cl\n0.549469 0.177281 0.278695 Cl\n0.177281 0.450531 0.778695 Cl\n0.822719 0.549469 0.778695 Cl\n0.549469 0.177281 0.721305 Cl\n0.450531 0.822719 0.721305 Cl\n0.822719 0.549469 0.221305 Cl\n0.177281 0.450531 0.221305 Cl\n",
"nsites": 20,
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"elements": [
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"N",
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],
"chemical_system": "Cl-Mo-N",
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"density_atomic": 0.034149978131779245,
"volume": 585.651912362088,
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"formula_full": "Mo2 N6 Cl12",
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"formula_anonymous": "AB3C6",
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{
"id": "mp-1103225",
"created_at": "2022-09-04T14:48:02.894771Z",
"structure_string": "Pr8 Al4\n1.0\n5.310845 0.000000 0.000000\n0.000000 6.820173 0.000000\n0.000000 0.000000 9.925154\nPr Al\n8 4\ndirect\n0.250000 0.806164 0.922932 Pr\n0.250000 0.306164 0.577068 Pr\n0.750000 0.193836 0.077068 Pr\n0.750000 0.693836 0.422932 Pr\n0.250000 0.977280 0.298014 Pr\n0.250000 0.477280 0.201986 Pr\n0.750000 0.022720 0.701986 Pr\n0.750000 0.522720 0.798014 Pr\n0.250000 0.289107 0.898022 Al\n0.250000 0.789107 0.601978 Al\n0.750000 0.710893 0.101978 Al\n0.750000 0.210893 0.398022 Al\n",
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{
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