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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=118",
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"results": [
{
"id": "mp-1248407",
"created_at": "2022-09-04T14:47:57.468733Z",
"structure_string": "Al2 Ni1 Pt1\n1.0\n-8.051024 0.068749 -4.658197\n-9.226010 0.304786 6.708140\n-5.964923 10.283409 0.889141\nAl Ni Pt\n2 1 1\ndirect\n0.750460 0.000035 0.000049 Al\n0.249563 0.999965 0.999938 Al\n0.999977 0.999994 0.999999 Ni\n0.500002 0.000007 0.000014 Pt\n",
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"volume": 984.4883565950709,
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"formula_full": "Al2 Ni1 Pt1",
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},
{
"id": "mp-867775",
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"structure_string": "Al2 Ni1 Ru1\n1.0\n0.000000 2.942245 2.942245\n2.942245 0.000000 2.942245\n2.942245 2.942245 0.000000\nAl Ni Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ru\n",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.705000Z",
"spacegroup": 225
},
{
"id": "mp-8022",
"created_at": "2022-09-04T14:39:07.311946Z",
"structure_string": "Al2 O1\n1.0\n0.000000 2.845710 2.845710\n2.845710 0.000000 2.845710\n2.845710 2.845710 0.000000\nAl O\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 O\n",
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],
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"density_atomic": 0.06509075949266424,
"volume": 46.08949140220282,
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"formula_full": "Al2 O1",
"formula_reduced": "Al2O",
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"updated_at": "2021-11-28T01:34:24.999000Z",
"spacegroup": 225
},
{
"id": "mp-1245110",
"created_at": "2022-09-04T14:40:55.520733Z",
"structure_string": "Al36 O18\n1.0\n5.704650 0.015562 -0.055641\n2.866135 4.875769 0.027300\n-0.483745 0.546659 49.776383\nAl O\n36 18\ndirect\n0.456356 0.512882 0.999821 Al\n0.956689 0.513055 0.999727 Al\n0.457695 0.013401 0.999069 Al\n0.139051 0.165409 0.046722 Al\n0.133806 0.665583 0.047188 Al\n0.635227 0.669247 0.046629 Al\n0.635717 0.165875 0.046872 Al\n0.314576 0.321218 0.093093 Al\n0.314686 0.821177 0.092989 Al\n0.812442 0.821467 0.093421 Al\n0.814552 0.321792 0.092192 Al\n0.989384 0.477989 0.139746 Al\n0.493666 0.473814 0.139611 Al\n0.488684 0.975752 0.140144 Al\n0.989454 0.980494 0.139675 Al\n0.169270 0.133955 0.186750 Al\n0.665888 0.130867 0.186437 Al\n0.668672 0.634698 0.186734 Al\n0.169035 0.634300 0.184494 Al\n0.846773 0.286809 0.231701 Al\n0.340587 0.783637 0.231554 Al\n0.349931 0.297734 0.232688 Al\n0.852877 0.787637 0.231843 Al\n0.946004 0.378929 0.280072 Al\n0.474300 0.983569 0.292359 Al\n0.439114 0.463535 0.310438 Al\n0.991970 0.975137 0.328468 Al\n0.279286 0.726566 0.374083 Al\n0.810735 0.298918 0.386834 Al\n0.675847 0.840563 0.392744 Al\n0.250151 0.393023 0.419662 Al\n0.218833 0.955327 0.437815 Al\n0.163946 0.674911 0.480399 Al\n0.538087 0.122781 0.479043 Al\n0.896353 0.394233 0.485986 Al\n0.957003 0.013097 0.000139 Al\n0.242049 0.406316 0.286893 O\n0.528210 0.958618 0.256173 O\n0.645082 0.602981 0.299839 O\n0.137317 0.054249 0.301780 O\n0.657629 0.090845 0.316416 O\n0.236531 0.629804 0.338439 O\n0.022741 0.074244 0.362032 O\n0.642352 0.618404 0.367702 O\n0.042464 0.665873 0.393250 O\n0.551523 0.209259 0.394320 O\n0.416697 0.796057 0.407805 O\n0.991993 0.275374 0.417378 O\n0.183243 0.652946 0.443862 O\n0.435425 0.107295 0.445215 O\n0.077621 0.032453 0.473866 O\n0.796713 0.773434 0.486966 O\n0.572238 0.430379 0.484484 O\n0.219972 0.344415 0.496069 O\n",
"nsites": 54,
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"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 1.5131561570459229,
"density_atomic": 0.03907425696216033,
"volume": 1381.9840528840718,
"volume_molar": 15.412041656561415,
"formula_full": "Al36 O18",
"formula_reduced": "Al2O",
"formula_anonymous": "AB2",
"energy": -316.78746061,
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"band_gap": 0.0,
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"total_magnetization": 1.28e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.535000Z",
"spacegroup": 1
},
{
"id": "mp-1245215",
"created_at": "2022-09-04T14:47:00.985737Z",
"structure_string": "Al36 O18\n1.0\n5.605583 0.064038 -0.018773\n2.858849 4.931244 0.027185\n-0.141646 0.358814 50.173018\nAl O\n36 18\nSelective dynamics\ndirect\n0.492068 0.507948 0.001058 T T T Al\n0.992314 0.507576 0.001381 T T T Al\n0.492367 0.007719 0.001258 T T T Al\n0.162726 0.170450 0.048738 T T T Al\n0.163628 0.671100 0.048585 T T T Al\n0.663246 0.670335 0.048749 T T T Al\n0.664311 0.171439 0.048600 T T T Al\n0.333325 0.333350 0.095239 F F F Al\n0.333325 0.833350 0.095239 F F F Al\n0.833325 0.833350 0.095239 F F F Al\n0.833325 0.333350 0.095239 F F F Al\n0.999992 0.500017 0.142858 F F F Al\n0.499992 0.500017 0.142858 F F F Al\n0.499992 0.000017 0.142858 F F F Al\n0.999992 0.000017 0.142858 F F F Al\n0.177437 0.165990 0.188460 T T T Al\n0.673616 0.160473 0.189026 T T T Al\n0.677631 0.667830 0.188673 T T T Al\n0.173567 0.662641 0.189506 T T T Al\n0.853626 0.331445 0.232936 T T T Al\n0.356565 0.835838 0.233365 T T T Al\n0.359403 0.336526 0.239022 T T T Al\n0.859166 0.844007 0.241187 T T T Al\n0.953089 0.428234 0.281365 T T T Al\n0.508618 0.952835 0.293816 T T T Al\n0.430689 0.442046 0.309035 T T T Al\n0.977319 0.984540 0.324831 T T T Al\n0.254887 0.704178 0.368855 T T T Al\n0.789378 0.285973 0.381935 T T T Al\n0.647919 0.831395 0.385101 T T T Al\n0.220200 0.380731 0.416415 T T T Al\n0.193740 0.936450 0.430013 T T T Al\n0.090522 0.668003 0.475912 T T T Al\n0.500731 0.078667 0.477468 T T T Al\n0.816147 0.348055 0.486497 T T T Al\n0.992173 0.007870 0.001026 T T T Al\n0.338487 0.327779 0.279463 T T T O\n0.853443 0.799716 0.278310 T T T O\n0.624605 0.590738 0.300888 T T T O\n0.132141 0.100920 0.302280 T T T O\n0.621147 0.100042 0.321805 T T T O\n0.183470 0.631813 0.333372 T T T O\n0.027298 0.055908 0.358953 T T T O\n0.622412 0.592809 0.361572 T T T O\n0.017422 0.649618 0.389158 T T T O\n0.527532 0.193601 0.390178 T T T O\n0.403910 0.772637 0.401833 T T T O\n0.965328 0.259398 0.412370 T T T O\n0.167182 0.646107 0.439818 T T T O\n0.375541 0.098604 0.442780 T T T O\n0.864007 0.039347 0.471579 T T T O\n0.759849 0.686803 0.482275 T T T O\n0.443423 0.445300 0.487683 T T T O\n0.177641 0.187322 0.494087 T T T O\n",
"nsites": 54,
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"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 1.5179332489748465,
"density_atomic": 0.039197615887604634,
"volume": 1377.6348070464226,
"volume_molar": 15.363538377609252,
"formula_full": "Al36 O18",
"formula_reduced": "Al2O",
"formula_anonymous": "AB2",
"energy": -316.79082159,
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"updated_at": "2021-11-28T01:37:44.660000Z",
"spacegroup": 1
},
{
"id": "mp-1245043",
"created_at": "2022-09-04T14:47:09.099952Z",
"structure_string": "Al40 O60\n1.0\n10.568150 0.096305 -0.464976\n0.097150 10.504500 0.049019\n-0.485833 0.032918 10.171389\nAl O\n40 60\ndirect\n0.573611 0.521094 0.769193 Al\n0.723513 0.661821 0.551145 Al\n0.318663 0.022521 0.579110 Al\n0.534934 0.565726 0.034862 Al\n0.824325 0.452783 0.332004 Al\n0.157696 0.745651 0.528312 Al\n0.393093 0.349224 0.513366 Al\n0.975310 0.221081 0.313130 Al\n0.307818 0.420945 0.210727 Al\n0.869391 0.442991 0.786174 Al\n0.416314 0.635812 0.345641 Al\n0.221912 0.562716 0.985587 Al\n0.563687 0.366041 0.292302 Al\n0.910848 0.895379 0.704326 Al\n0.673214 0.783759 0.851772 Al\n0.120291 0.771302 0.794038 Al\n0.531442 0.101340 0.322132 Al\n0.193650 0.498361 0.694421 Al\n0.382009 0.732819 0.832211 Al\n0.634581 0.970503 0.602967 Al\n0.730599 0.159888 0.811153 Al\n0.991510 0.425477 0.103291 Al\n0.978955 0.481243 0.531383 Al\n0.002865 0.812148 0.240004 Al\n0.289185 0.881267 0.338954 Al\n0.684466 0.367225 0.592142 Al\n0.833358 0.005828 0.978985 Al\n0.751944 0.233554 0.153436 Al\n0.471070 0.024089 0.854210 Al\n0.481147 0.753588 0.573043 Al\n0.770847 0.990370 0.378842 Al\n0.506136 0.864165 0.153312 Al\n0.749575 0.805745 0.158798 Al\n0.380042 0.350244 0.826524 Al\n0.365740 0.143352 0.056225 Al\n0.203040 0.993007 0.864196 Al\n0.110681 0.039415 0.142904 Al\n0.280329 0.196897 0.337276 Al\n0.925019 0.668869 0.956883 Al\n0.136575 0.545474 0.336846 Al\n0.118130 0.140378 0.285264 O\n0.226428 0.371827 0.355639 O\n0.006428 0.459003 0.702933 O\n0.660789 0.790892 0.660547 O\n0.696456 0.381058 0.426431 O\n0.834828 0.025707 0.804344 O\n0.945517 0.342810 0.433235 O\n0.300706 0.176269 0.515479 O\n0.592559 0.207515 0.201526 O\n0.131570 0.540403 0.519852 O\n0.415418 0.198872 0.903632 O\n0.056244 0.939309 0.800296 O\n0.810544 0.938675 0.557365 O\n0.903453 0.493018 0.951347 O\n0.231155 0.668967 0.713255 O\n0.594627 0.075996 0.745584 O\n0.640141 0.070900 0.461852 O\n0.321545 0.254161 0.169144 O\n0.787931 0.297336 0.732755 O\n0.209530 0.916512 0.494629 O\n0.833946 0.130838 0.301517 O\n0.961427 0.987122 0.089521 O\n0.088519 0.666286 0.929339 O\n0.853438 0.764415 0.825312 O\n0.537950 0.373517 0.652003 O\n0.629299 0.946045 0.250916 O\n0.578257 0.683521 0.452334 O\n0.732156 0.525448 0.680204 O\n0.082494 0.712987 0.364292 O\n0.367053 0.036893 0.301612 O\n0.722662 0.885207 0.998633 O\n0.268867 0.587758 0.245629 O\n0.450002 0.476457 0.405708 O\n0.022858 0.773125 0.634315 O\n0.844591 0.578950 0.466034 O\n0.930898 0.277775 0.145035 O\n0.901423 0.723947 0.114756 O\n0.331001 0.718811 0.473294 O\n0.155250 0.446712 0.088614 O\n0.603512 0.715615 0.134891 O\n0.404672 0.791973 0.256535 O\n0.512551 0.436333 0.899442 O\n0.241068 0.445771 0.862760 O\n0.748579 0.160653 0.987716 O\n0.315583 0.033767 0.752520 O\n0.260717 0.836542 0.884066 O\n0.377286 0.635824 0.979126 O\n0.853414 0.861674 0.299446 O\n0.472027 0.466381 0.163110 O\n0.723707 0.406875 0.191387 O\n0.203573 0.081941 0.011385 O\n0.464868 0.925543 0.568002 O\n0.466666 0.643809 0.706713 O\n0.508853 0.851180 0.842647 O\n0.309510 0.383755 0.656691 O\n0.976568 0.505392 0.255489 O\n0.452036 0.994375 0.036946 O\n0.647806 0.622537 0.905953 O\n0.467328 0.251923 0.387545 O\n0.152538 0.890197 0.218314 O\n",
"nsites": 100,
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"elements": [
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],
"chemical_system": "Al-O",
"density": 3.0055094764066137,
"density_atomic": 0.08875723032179399,
"volume": 1126.668775461388,
"volume_molar": 6.784957955725312,
"formula_full": "Al40 O60",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -767.1736052800001,
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"updated_at": "2021-11-28T01:37:54.338000Z",
"spacegroup": 1
},
{
"id": "mp-723985",
"created_at": "2022-09-04T14:45:08.650275Z",
"structure_string": "Al16 O24\n1.0\n5.592100 0.000000 0.000000\n-2.524008 -5.312732 0.000000\n0.805915 2.831077 -13.883414\nAl O\n16 24\ndirect\n0.919394 0.029788 0.092536 Al\n0.967244 0.486623 0.267378 Al\n0.631966 0.053118 0.427100 Al\n0.409715 0.018157 0.121249 Al\n0.749870 0.945308 0.284455 Al\n0.269227 0.059377 0.261675 Al\n0.382708 0.484936 0.442227 Al\n0.128846 0.951899 0.817990 Al\n0.295734 0.532328 0.619716 Al\n0.109139 0.957660 0.448840 Al\n0.220535 0.988856 0.655101 Al\n0.681744 0.083958 0.607551 Al\n0.049548 0.362569 0.849367 Al\n0.614709 0.797478 0.842143 Al\n0.000314 0.597382 0.051759 Al\n0.519451 0.100719 0.939059 Al\n0.391456 0.796762 0.250742 O\n0.078317 0.240731 0.262965 O\n0.352357 0.848907 0.052189 O\n0.919225 0.794998 0.254094 O\n0.124525 0.781545 0.581499 O\n0.756591 0.216115 0.103801 O\n0.475792 0.297827 0.565715 O\n0.747948 0.785142 0.414609 O\n0.626396 0.223935 0.279841 O\n0.927690 0.693269 0.126217 O\n0.600681 0.840946 0.560070 O\n0.902698 0.701514 0.930609 O\n0.250743 0.231412 0.114644 O\n0.443302 0.260683 0.412662 O\n0.391267 0.382212 0.890821 O\n0.511268 0.852095 0.719521 O\n0.024592 0.246522 0.593332 O\n0.282252 0.798320 0.408819 O\n0.414570 0.859201 0.894780 O\n0.003024 0.279819 0.407598 O\n0.911883 0.149908 0.793014 O\n0.866253 0.173848 0.960065 O\n0.022715 0.707925 0.769996 O\n0.355177 0.243938 0.725775 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "Al16 O24",
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"energy": -213.30237172,
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"updated_at": "2021-11-28T01:36:50.003000Z",
"spacegroup": 1
},
{
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{
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}