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{
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"results": [
{
"id": "mp-1215969",
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"structure_string": "Yb20 Cd3 Au9\n1.0\n7.986894 0.000000 0.000000\n0.000000 7.986894 0.000000\n0.000000 0.000000 14.146899\nYb Cd Au\n20 3 9\ndirect\n0.000000 0.000000 0.753137 Yb\n0.500000 0.500000 0.248292 Yb\n0.000000 0.000000 0.246863 Yb\n0.500000 0.500000 0.751708 Yb\n0.171678 0.657790 0.108839 Yb\n0.663618 0.164198 0.612307 Yb\n0.828322 0.342210 0.108839 Yb\n0.336382 0.835802 0.612307 Yb\n0.342210 0.171678 0.108839 Yb\n0.835802 0.663618 0.612307 Yb\n0.657790 0.828322 0.108839 Yb\n0.164198 0.336382 0.612307 Yb\n0.342210 0.828322 0.891161 Yb\n0.835802 0.336382 0.387693 Yb\n0.657790 0.171678 0.891161 Yb\n0.164198 0.663618 0.387693 Yb\n0.171678 0.342210 0.891161 Yb\n0.663618 0.835802 0.387693 Yb\n0.828322 0.657790 0.891161 Yb\n0.336382 0.164198 0.387693 Yb\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.634643 0.133890 0.248935 Au\n0.133890 0.634643 0.751065 Au\n0.866110 0.365357 0.751065 Au\n0.365357 0.866110 0.248935 Au\n0.365357 0.133890 0.751065 Au\n0.866110 0.634643 0.248935 Au\n0.133890 0.365357 0.248935 Au\n0.634643 0.866110 0.751065 Au\n0.500000 0.500000 0.000000 Au\n",
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{
"id": "mp-1220608",
"created_at": "2022-09-04T14:45:30.082804Z",
"structure_string": "Nd20 Si9 Ru3\n1.0\n5.469162 -5.581450 0.000000\n5.469162 5.581450 0.000000\n0.000000 0.000000 13.871373\nNd Si Ru\n20 9 3\ndirect\n0.995071 0.498644 0.000000 Nd\n0.491858 0.993985 0.500000 Nd\n0.501356 0.004929 0.000000 Nd\n0.006015 0.508142 0.500000 Nd\n0.675718 0.324282 0.649207 Nd\n0.181439 0.818561 0.140561 Nd\n0.322197 0.677803 0.644612 Nd\n0.822805 0.177195 0.145317 Nd\n0.169956 0.168757 0.645858 Nd\n0.664675 0.667631 0.140721 Nd\n0.831243 0.830044 0.645858 Nd\n0.332369 0.335325 0.140721 Nd\n0.822805 0.177195 0.854683 Nd\n0.322197 0.677803 0.355388 Nd\n0.181439 0.818561 0.859439 Nd\n0.675718 0.324282 0.350793 Nd\n0.332369 0.335325 0.859279 Nd\n0.831243 0.830044 0.354142 Nd\n0.664675 0.667631 0.859279 Nd\n0.169956 0.168757 0.354142 Nd\n0.877548 0.122452 0.500000 Si\n0.114235 0.114019 0.000000 Si\n0.618005 0.610362 0.500000 Si\n0.885981 0.885765 0.000000 Si\n0.389638 0.381995 0.500000 Si\n0.500801 0.999887 0.748758 Si\n0.000113 0.499199 0.251242 Si\n0.000113 0.499199 0.748758 Si\n0.500801 0.999887 0.251242 Si\n0.115506 0.884494 0.500000 Ru\n0.630023 0.369977 0.000000 Ru\n0.372131 0.627869 0.000000 Ru\n",
"nsites": 32,
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"elements": [
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"density": 6.746735997429534,
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"volume": 846.8710207492825,
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"formula_full": "Nd20 Si9 Ru3",
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"energy": -187.37186491,
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"updated_at": "2021-11-28T01:36:59.724000Z",
"spacegroup": 38
},
{
"id": "mp-1224612",
"created_at": "2022-09-04T14:46:06.608547Z",
"structure_string": "Hf20 Fe3 Sb9\n1.0\n0.000000 0.000000 5.544175\n-5.484253 5.484253 -2.772087\n-10.985891 -10.985891 0.000000\nHf Fe Sb\n20 3 9\ndirect\n0.435795 0.871365 0.365111 Hf\n0.919198 0.859455 0.854889 Hf\n0.059743 0.140545 0.145111 Hf\n0.564430 0.128635 0.634889 Hf\n0.654948 0.290671 0.070494 Hf\n0.134148 0.266567 0.563889 Hf\n0.867582 0.733433 0.436111 Hf\n0.364278 0.709329 0.929506 Hf\n0.845052 0.709329 0.070494 Hf\n0.365852 0.733433 0.563889 Hf\n0.632418 0.266567 0.436111 Hf\n0.135722 0.290671 0.929506 Hf\n0.064205 0.128635 0.365111 Hf\n0.580802 0.140545 0.854889 Hf\n0.440257 0.859455 0.145111 Hf\n0.935570 0.871365 0.634889 Hf\n0.500220 0.500388 0.249281 Hf\n0.999832 0.499612 0.750719 Hf\n0.999780 0.499612 0.249281 Hf\n0.500168 0.500388 0.750719 Hf\n0.750000 0.000000 0.500000 Fe\n0.750000 0.000000 0.000000 Fe\n0.250000 0.000000 0.500000 Fe\n0.916105 0.828898 0.250236 Sb\n0.412793 0.828898 0.749764 Sb\n0.583895 0.171102 0.250236 Sb\n0.087207 0.171102 0.749764 Sb\n0.250000 0.500000 0.085419 Sb\n0.750000 0.500000 0.585921 Sb\n0.250000 0.500000 0.414079 Sb\n0.750000 0.500000 0.914581 Sb\n0.250000 0.000000 0.000000 Sb\n",
"nsites": 32,
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"elements": [
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"Sb"
],
"chemical_system": "Fe-Hf-Sb",
"density": 12.013288997920137,
"density_atomic": 0.04789942337186503,
"volume": 668.0664974099883,
"volume_molar": 12.572470263884766,
"formula_full": "Hf20 Fe3 Sb9",
"formula_reduced": "Hf20(FeSb3)3",
"formula_anonymous": "A3B9C20",
"energy": -277.60717395,
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"updated_at": "2021-11-28T01:37:17.239000Z",
"spacegroup": 21
},
{
"id": "mp-530251",
"created_at": "2022-09-04T14:41:08.386973Z",
"structure_string": "Ti40 Sb18 Se6\n1.0\n6.986296 0.000000 0.000000\n0.000000 10.065304 0.000000\n0.000000 0.000000 16.674368\nTi Sb Se\n40 18 6\ndirect\n0.721801 0.505482 0.248643 Ti\n0.721801 0.505482 0.751357 Ti\n0.590708 0.209892 0.500000 Ti\n0.575060 0.220449 0.000000 Ti\n0.568349 0.226713 0.248976 Ti\n0.568349 0.226713 0.751024 Ti\n0.561449 0.948236 0.596957 Ti\n0.561449 0.948236 0.403043 Ti\n0.552535 0.949882 0.104735 Ti\n0.552535 0.949882 0.895265 Ti\n0.447465 0.449882 0.395265 Ti\n0.438551 0.448236 0.903043 Ti\n0.447465 0.449882 0.604735 Ti\n0.438551 0.448236 0.096957 Ti\n0.431651 0.726713 0.251024 Ti\n0.431651 0.726713 0.748976 Ti\n0.424940 0.720449 0.500000 Ti\n0.409292 0.709892 0.000000 Ti\n0.278199 0.005482 0.251357 Ti\n0.278199 0.005482 0.748643 Ti\n0.222244 0.995251 0.500000 Ti\n0.236738 0.989436 0.000000 Ti\n0.090869 0.291574 0.248140 Ti\n0.090869 0.291574 0.751860 Ti\n0.050330 0.256822 0.500000 Ti\n0.069478 0.274715 0.000000 Ti\n0.058588 0.549853 0.151547 Ti\n0.059297 0.551554 0.659282 Ti\n0.059297 0.551554 0.340718 Ti\n0.058588 0.549853 0.848453 Ti\n0.941412 0.049853 0.348453 Ti\n0.940703 0.051554 0.159282 Ti\n0.940703 0.051554 0.840718 Ti\n0.941412 0.049853 0.651547 Ti\n0.930522 0.774715 0.500000 Ti\n0.949670 0.756822 0.000000 Ti\n0.909131 0.791574 0.251860 Ti\n0.909131 0.791574 0.748140 Ti\n0.763262 0.489436 0.500000 Ti\n0.777756 0.495251 0.000000 Ti\n0.689272 0.676990 0.620710 Sb\n0.689272 0.676990 0.379290 Sb\n0.685495 0.679980 0.119785 Sb\n0.685495 0.679980 0.880215 Sb\n0.314505 0.179980 0.380215 Sb\n0.310728 0.176990 0.879290 Sb\n0.314505 0.179980 0.619785 Sb\n0.310728 0.176990 0.120710 Sb\n0.184878 0.821422 0.132051 Sb\n0.186954 0.822070 0.629277 Sb\n0.186954 0.822070 0.370723 Sb\n0.184878 0.821422 0.867949 Sb\n0.160037 0.522965 0.500000 Sb\n0.839963 0.022965 0.000000 Sb\n0.815122 0.321422 0.367949 Sb\n0.813046 0.322070 0.129277 Sb\n0.813046 0.322070 0.870723 Sb\n0.815122 0.321422 0.632051 Sb\n0.661925 0.978812 0.252988 Se\n0.661925 0.978812 0.747012 Se\n0.338075 0.478812 0.247012 Se\n0.338075 0.478812 0.752988 Se\n0.162175 0.525334 0.000000 Se\n0.837825 0.025334 0.500000 Se\n",
"nsites": 64,
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"elements": [
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"Se"
],
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"density": 6.486384566555405,
"density_atomic": 0.054582913491226875,
"volume": 1172.5281027786605,
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"formula_full": "Ti40 Sb18 Se6",
"formula_reduced": "Ti20(Sb3Se)3",
"formula_anonymous": "A3B9C20",
"energy": -451.97937859,
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"updated_at": "2021-11-28T01:35:13.805000Z",
"spacegroup": 31
},
{
"id": "mp-1217242",
"created_at": "2022-09-04T14:47:07.324544Z",
"structure_string": "Ti20 Al3 Si9\n1.0\n5.170074 0.000000 0.000000\n0.000000 7.551824 0.000000\n0.000000 0.011023 13.050674\nTi Al Si\n20 3 9\ndirect\n0.753765 0.006043 0.666651 Ti\n0.751885 0.502537 0.170111 Ti\n0.753631 0.495989 0.830464 Ti\n0.751886 0.002624 0.330350 Ti\n0.246369 0.495989 0.830464 Ti\n0.248114 0.002624 0.330350 Ti\n0.246235 0.006043 0.666651 Ti\n0.248115 0.502537 0.170111 Ti\n0.500000 0.256149 0.499539 Ti\n0.500000 0.756788 0.003418 Ti\n0.500000 0.615887 0.621721 Ti\n0.500000 0.120439 0.127151 Ti\n0.500000 0.124371 0.874978 Ti\n0.500000 0.619828 0.374125 Ti\n0.000000 0.744774 0.499884 Ti\n0.000000 0.244928 0.000272 Ti\n0.000000 0.877211 0.878050 Ti\n0.000000 0.375314 0.374416 Ti\n0.000000 0.374713 0.625117 Ti\n0.000000 0.874552 0.125816 Ti\n0.500000 0.394318 0.000995 Al\n0.500000 0.892272 0.499484 Al\n0.500000 0.801475 0.802228 Al\n0.500000 0.303134 0.304121 Si\n0.500000 0.303011 0.695450 Si\n0.500000 0.803546 0.197508 Si\n0.000000 0.606681 0.999847 Si\n0.000000 0.106909 0.498578 Si\n0.000000 0.699610 0.696503 Si\n0.000000 0.197462 0.194650 Si\n0.000000 0.194096 0.805677 Si\n0.000000 0.698135 0.305313 Si\n",
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"formula_full": "Ti20 Al3 Si9",
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},
{
"id": "mp-1228632",
"created_at": "2022-09-04T14:43:13.018195Z",
"structure_string": "Al3 Cr20 Si9\n1.0\n0.000000 0.000000 4.629396\n-4.569709 4.569709 -2.314698\n-9.163360 -9.163360 0.000000\nAl Cr Si\n3 20 9\ndirect\n0.250000 0.000000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.750000 0.000000 0.000000 Al\n0.928861 0.845583 0.345690 Cr\n0.419694 0.841119 0.842516 Cr\n0.578574 0.158881 0.157484 Cr\n0.083278 0.154417 0.654310 Cr\n0.159205 0.318254 0.078693 Cr\n0.650429 0.311513 0.577173 Cr\n0.338916 0.688487 0.422827 Cr\n0.840951 0.681746 0.921307 Cr\n0.340795 0.681746 0.078693 Cr\n0.849571 0.688487 0.577173 Cr\n0.161084 0.311513 0.422827 Cr\n0.659049 0.318254 0.921307 Cr\n0.571139 0.154417 0.345690 Cr\n0.080306 0.158881 0.842516 Cr\n0.921426 0.841119 0.157484 Cr\n0.416722 0.845583 0.654310 Cr\n0.497368 0.500089 0.251257 Cr\n0.997280 0.499911 0.748743 Cr\n0.002632 0.499911 0.251257 Cr\n0.502720 0.500089 0.748743 Cr\n0.250000 0.000000 0.500000 Si\n0.750000 0.500000 0.084545 Si\n0.250000 0.500000 0.583564 Si\n0.750000 0.500000 0.416436 Si\n0.250000 0.500000 0.915455 Si\n0.419834 0.834646 0.249992 Si\n0.914811 0.834646 0.750008 Si\n0.080166 0.165354 0.249992 Si\n0.585189 0.165354 0.750008 Si\n",
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"volume": 387.7016253548384,
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"formula_full": "Al3 Cr20 Si9",
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"spacegroup": 21
},
{
"id": "mp-1197124",
"created_at": "2022-09-04T14:46:56.145535Z",
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"structure_string": "K32 Na18 Tl36 Cd6\n1.0\n5.724814 -9.915669 0.000000\n5.724814 9.915669 0.000000\n0.000000 0.000000 30.151413\nK Na Tl Cd\n32 18 36 6\ndirect\n0.129474 0.870526 0.941338 K\n0.129474 0.258947 0.941338 K\n0.741053 0.870526 0.941338 K\n0.870526 0.129474 0.058662 K\n0.870526 0.741053 0.058662 K\n0.258947 0.129474 0.058662 K\n0.870526 0.129474 0.441338 K\n0.870526 0.741053 0.441338 K\n0.258947 0.129474 0.441338 K\n0.129474 0.870526 0.558662 K\n0.129474 0.258947 0.558662 K\n0.741053 0.870526 0.558662 K\n0.455338 0.544662 0.250000 K\n0.455338 0.910676 0.250000 K\n0.089324 0.544662 0.250000 K\n0.544662 0.455338 0.750000 K\n0.544662 0.089324 0.750000 K\n0.910676 0.455338 0.750000 K\n0.463138 0.536862 0.875442 K\n0.463138 0.926277 0.875442 K\n0.073723 0.536862 0.875442 K\n0.536862 0.463138 0.124558 K\n0.536862 0.073723 0.124558 K\n0.926277 0.463138 0.124558 K\n0.536862 0.463138 0.375442 K\n0.536862 0.073723 0.375442 K\n0.926277 0.463138 0.375442 K\n0.463138 0.536862 0.624558 K\n0.463138 0.926277 0.624558 K\n0.073723 0.536862 0.624558 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.163832 0.836168 0.152681 Na\n0.163832 0.327664 0.152681 Na\n0.672336 0.836168 0.152681 Na\n0.836168 0.163832 0.847319 Na\n0.836168 0.672336 0.847319 Na\n0.327664 0.163832 0.847319 Na\n0.836168 0.163832 0.652681 Na\n0.836168 0.672336 0.652681 Na\n0.327664 0.163832 0.652681 Na\n0.163832 0.836168 0.347319 Na\n0.163832 0.327664 0.347319 Na\n0.672336 0.836168 0.347319 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.233535 0.766465 0.054745 Tl\n0.233535 0.467069 0.054745 Tl\n0.532931 0.766465 0.054745 Tl\n0.766465 0.233535 0.945255 Tl\n0.766465 0.532931 0.945255 Tl\n0.467069 0.233535 0.945255 Tl\n0.766465 0.233535 0.554745 Tl\n0.766465 0.532931 0.554745 Tl\n0.467069 0.233535 0.554745 Tl\n0.233535 0.766465 0.445255 Tl\n0.233535 0.467069 0.445255 Tl\n0.532931 0.766465 0.445255 Tl\n0.333333 0.666667 0.969489 Tl\n0.666667 0.333333 0.030511 Tl\n0.666667 0.333333 0.469489 Tl\n0.333333 0.666667 0.530511 Tl\n0.333333 0.666667 0.140228 Tl\n0.666667 0.333333 0.859772 Tl\n0.666667 0.333333 0.640228 Tl\n0.333333 0.666667 0.359772 Tl\n0.000000 0.000000 0.840089 Tl\n0.000000 0.000000 0.159911 Tl\n0.000000 0.000000 0.340089 Tl\n0.000000 0.000000 0.659911 Tl\n0.157515 0.842485 0.803152 Tl\n0.157515 0.315029 0.803152 Tl\n0.684971 0.842485 0.803152 Tl\n0.842485 0.157515 0.196848 Tl\n0.842485 0.684971 0.196848 Tl\n0.315029 0.157515 0.196848 Tl\n0.842485 0.157515 0.303152 Tl\n0.842485 0.684971 0.303152 Tl\n0.315029 0.157515 0.303152 Tl\n0.157515 0.842485 0.696848 Tl\n0.157515 0.315029 0.696848 Tl\n0.684971 0.842485 0.696848 Tl\n0.102603 0.897397 0.250000 Cd\n0.102603 0.205206 0.250000 Cd\n0.794794 0.897397 0.250000 Cd\n0.897397 0.102603 0.750000 Cd\n0.897397 0.794794 0.750000 Cd\n0.205206 0.102603 0.750000 Cd\n",
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"elements": [
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],
"chemical_system": "Cd-K-Na-Tl",
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"density_atomic": 0.02687613168241876,
"volume": 3423.111669756498,
"volume_molar": 22.4070220787742,
"formula_full": "K32 Na18 Tl36 Cd6",
"formula_reduced": "K16Na9(Tl6Cd)3",
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"energy": -161.52939465,
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"updated_at": "2021-11-28T01:36:28.613000Z",
"spacegroup": 194
},
{
"id": "mp-530877",
"created_at": "2022-09-04T14:47:23.759221Z",
"structure_string": "Ti6 Fe18 O32\n1.0\n6.073060 0.000000 0.000000\n-2.994616 10.110904 0.000000\n-0.010914 -1.646378 10.485781\nTi Fe O\n6 18 32\ndirect\n0.371167 0.258122 0.134163 Ti\n0.872414 0.244682 0.621000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.127586 0.755318 0.379000 Ti\n0.628833 0.741878 0.865837 Ti\n0.596253 0.696169 0.527655 Fe\n0.245307 0.499421 0.246478 Fe\n0.101595 0.693015 0.034868 Fe\n0.752276 0.499724 0.246078 Fe\n0.754693 0.500579 0.753522 Fe\n0.500000 0.500000 0.000000 Fe\n0.349036 0.195299 0.784497 Fe\n0.247724 0.500276 0.753922 Fe\n0.000000 0.000000 0.500000 Fe\n0.898405 0.306985 0.965132 Fe\n0.752075 0.001701 0.747818 Fe\n0.846807 0.190573 0.279522 Fe\n0.500000 0.000000 0.500000 Fe\n0.403747 0.303831 0.472345 Fe\n0.247925 0.998299 0.252182 Fe\n0.000000 0.000000 0.000000 Fe\n0.650964 0.804701 0.215503 Fe\n0.153193 0.809427 0.720478 Fe\n0.277290 0.620301 0.435261 O\n0.067547 0.634581 0.196139 O\n0.845864 0.622182 0.435299 O\n0.665862 0.362370 0.063414 O\n0.808929 0.638773 0.938994 O\n0.555756 0.613204 0.183880 O\n0.570572 0.639328 0.707272 O\n0.328624 0.119674 0.941528 O\n0.444244 0.386796 0.816120 O\n0.191071 0.361227 0.061006 O\n0.334138 0.637630 0.936586 O\n0.154136 0.377818 0.564701 O\n0.061397 0.141381 0.686989 O\n0.055284 0.605820 0.673481 O\n0.786779 0.112755 0.936456 O\n0.699146 0.895782 0.569710 O\n0.819062 0.141086 0.457927 O\n0.944716 0.394180 0.326519 O\n0.932453 0.365419 0.803861 O\n0.722710 0.379699 0.564739 O\n0.580914 0.141453 0.684896 O\n0.419086 0.858547 0.315104 O\n0.543969 0.121879 0.163915 O\n0.300854 0.104218 0.430290 O\n0.180938 0.858914 0.542073 O\n0.429428 0.360672 0.292728 O\n0.213221 0.887245 0.063544 O\n0.938603 0.858619 0.313011 O\n0.090090 0.129935 0.171423 O\n0.909910 0.870065 0.828577 O\n0.671376 0.880326 0.058472 O\n0.456031 0.878121 0.836085 O\n",
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"formula_full": "Ti6 Fe18 O32",
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},
{
"id": "mp-531333",
"created_at": "2022-09-04T14:46:15.306608Z",
"structure_string": "Co18 Ru6 O32\n1.0\n6.013237 0.000000 0.000000\n-0.045093 10.426718 0.000000\n-2.896650 -1.643753 9.929268\nCo Ru O\n18 6 32\ndirect\n0.903078 0.960578 0.801263 Co\n0.406079 0.462953 0.805672 Co\n0.752478 0.255702 0.004200 Co\n0.000000 0.500000 0.000000 Co\n0.149488 0.723331 0.298747 Co\n0.246344 0.254860 0.004301 Co\n0.247522 0.744298 0.995800 Co\n0.500000 0.000000 0.500000 Co\n0.748946 0.753835 0.495549 Co\n0.641645 0.219532 0.307819 Co\n0.593921 0.537047 0.194328 Co\n0.753656 0.745140 0.995699 Co\n0.000000 0.000000 0.500000 Co\n0.251054 0.246165 0.504451 Co\n0.096922 0.039422 0.198737 Co\n0.500000 0.500000 0.500000 Co\n0.850512 0.276669 0.701253 Co\n0.358355 0.780468 0.692181 Co\n0.377686 0.121613 0.754866 Ru\n0.878878 0.619318 0.743834 Ru\n0.622314 0.878387 0.245134 Ru\n0.500000 0.000000 0.000000 Ru\n0.121122 0.380682 0.256166 Ru\n0.000000 0.500000 0.500000 Ru\n0.203579 0.061718 0.879342 O\n0.435584 0.293707 0.873569 O\n0.674409 0.062275 0.876006 O\n0.833351 0.434209 0.136995 O\n0.706090 0.563368 0.862629 O\n0.948263 0.318054 0.898295 O\n0.180296 0.558984 0.377668 O\n0.934556 0.790611 0.862893 O\n0.051737 0.681946 0.101705 O\n0.293910 0.436632 0.137371 O\n0.166649 0.565791 0.863005 O\n0.454084 0.821296 0.366933 O\n0.325591 0.937725 0.123994 O\n0.709031 0.564501 0.394896 O\n0.564416 0.706293 0.126431 O\n0.450766 0.820162 0.893687 O\n0.810121 0.939034 0.602778 O\n0.691773 0.049197 0.367803 O\n0.549234 0.179838 0.106313 O\n0.796421 0.938282 0.120658 O\n0.914133 0.824929 0.367095 O\n0.085867 0.175071 0.632905 O\n0.943828 0.320393 0.380369 O\n0.065444 0.209389 0.137107 O\n0.308227 0.950803 0.632197 O\n0.189879 0.060966 0.397222 O\n0.290969 0.435499 0.605104 O\n0.545916 0.178704 0.633067 O\n0.411542 0.322044 0.377495 O\n0.588458 0.677956 0.622505 O\n0.819704 0.441016 0.622332 O\n0.056172 0.679607 0.619631 O\n",
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"formula_full": "Co18 Ru6 O32",
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}
]
}