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"results": [
{
"id": "mp-1305682",
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"structure_string": "Li6 Mn8 Sn2 O16\n1.0\n-3.543391 -4.334024 -2.576372\n-5.369803 1.690688 -2.564621\n1.934408 0.550668 -10.600250\nLi Mn Sn O\n6 8 2 16\ndirect\n0.750440 0.749830 0.249740 Li\n0.249522 0.250328 0.749816 Li\n0.993856 0.486263 0.015243 Li\n0.506614 0.013248 0.484557 Li\n0.988862 0.498091 0.504167 Li\n0.511416 0.001943 0.995510 Li\n0.003238 0.004521 0.000613 Mn\n0.496787 0.495031 0.499643 Mn\n0.749741 0.250253 0.250201 Mn\n0.250027 0.749929 0.750220 Mn\n0.250162 0.749932 0.250245 Mn\n0.749869 0.250137 0.750058 Mn\n0.749688 0.749866 0.749933 Mn\n0.249895 0.250392 0.250098 Mn\n0.994415 0.998453 0.500203 Sn\n0.505746 0.501538 0.999903 Sn\n0.877055 0.884334 0.374627 O\n0.411574 0.371301 0.868597 O\n0.088387 0.128817 0.631310 O\n0.623262 0.615568 0.125399 O\n0.866311 0.920422 0.861940 O\n0.379611 0.372182 0.364837 O\n0.120282 0.127908 0.135169 O\n0.633499 0.579919 0.637841 O\n0.629609 0.113411 0.614650 O\n0.141053 0.616877 0.114315 O\n0.117877 0.640110 0.615813 O\n0.614798 0.141934 0.118202 O\n0.885182 0.358045 0.381886 O\n0.382100 0.859577 0.884226 O\n0.358923 0.883146 0.385822 O\n0.870199 0.386697 0.885216 O\n",
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{
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"structure_string": "Dy3 V1\n1.0\n0.000000 3.788799 3.788799\n3.788799 0.000000 3.788799\n3.788799 3.788799 0.000000\nDy V\n3 1\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.750000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 V\n",
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{
"id": "mp-1214102",
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"structure_string": "C4 S4 N8\n1.0\n10.690137 0.000000 0.000000\n0.000000 3.947900 0.000000\n0.000000 1.946077 6.246726\nC S N\n4 4 8\ndirect\n0.449734 0.883636 0.554032 C\n0.550266 0.116364 0.445968 C\n0.949734 0.116364 0.945968 C\n0.050266 0.883636 0.054032 C\n0.115943 0.172545 0.700941 S\n0.884057 0.827455 0.299059 S\n0.615943 0.827455 0.799059 S\n0.384057 0.172545 0.200941 S\n0.475539 0.701059 0.758735 N\n0.524461 0.298941 0.241265 N\n0.975539 0.298941 0.741265 N\n0.024461 0.701059 0.258735 N\n0.151666 0.891186 0.929806 N\n0.848334 0.108814 0.070194 N\n0.651666 0.108814 0.570194 N\n0.348334 0.891186 0.429806 N\n",
"nsites": 16,
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"density": 1.8162549921388533,
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"volume": 263.63427457961785,
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"formula_full": "C4 S4 N8",
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"spacegroup": 14
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{
"id": "mp-568809",
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"structure_string": "Ba5 Al5 Pb1\n1.0\n3.058995 -5.298334 0.000000\n3.058995 5.298334 0.000000\n0.000000 0.000000 11.223536\nBa Al Pb\n5 5 1\ndirect\n0.666667 0.333333 0.200854 Ba\n0.666667 0.333333 0.799146 Ba\n0.000000 0.000000 0.329358 Ba\n0.000000 0.000000 0.670642 Ba\n0.333333 0.666667 0.000000 Ba\n0.333333 0.666667 0.323261 Al\n0.511763 0.023526 0.500000 Al\n0.511763 0.488237 0.500000 Al\n0.333333 0.666667 0.676739 Al\n0.976474 0.488237 0.500000 Al\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 11,
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"elements": [
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],
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"volume": 363.81265267562486,
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"formula_full": "Ba5 Al5 Pb1",
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{
"id": "mp-1214466",
"created_at": "2022-09-04T14:42:57.639379Z",
"structure_string": "Cd4 I12 N8\n1.0\n7.485496 0.000000 0.000000\n0.000000 8.412525 0.000000\n0.000000 0.000000 13.647969\nCd I N\n4 12 8\ndirect\n0.217078 0.000000 0.668743 Cd\n0.782922 0.000000 0.168743 Cd\n0.039905 0.500000 0.624948 Cd\n0.960095 0.500000 0.124948 Cd\n0.368801 0.500000 0.166535 I\n0.631199 0.500000 0.666535 I\n0.717684 0.000000 0.722579 I\n0.282316 0.000000 0.222579 I\n0.101837 0.000000 0.479562 I\n0.898163 0.000000 0.979562 I\n0.304277 0.500000 0.483725 I\n0.695723 0.500000 0.983725 I\n0.227699 0.272746 0.778305 I\n0.772301 0.727254 0.278305 I\n0.772301 0.272746 0.278305 I\n0.227699 0.727254 0.778305 I\n0.212304 0.325430 0.147017 N\n0.787696 0.674570 0.647017 N\n0.787696 0.325430 0.647017 N\n0.212304 0.674570 0.147017 N\n0.686872 0.172904 0.825891 N\n0.313128 0.827096 0.325891 N\n0.313128 0.172904 0.325891 N\n0.686872 0.827096 0.825891 N\n",
"nsites": 24,
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"elements": [
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"density": 4.027603360365754,
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},
{
"id": "mp-1193657",
"created_at": "2022-09-04T14:42:57.642550Z",
"structure_string": "Ti8 Co8 Si14\n1.0\n-6.246413 6.246413 2.461044\n6.246413 -6.246413 2.461044\n6.246413 6.246413 -2.461044\nTi Co Si\n8 8 14\ndirect\n0.135396 0.135396 0.270792 Ti\n0.864604 0.864604 0.729208 Ti\n0.864604 0.135396 0.000000 Ti\n0.135396 0.864604 0.000000 Ti\n0.500000 0.692929 0.192929 Ti\n0.500000 0.307071 0.807071 Ti\n0.307071 0.500000 0.807071 Ti\n0.692929 0.500000 0.192929 Ti\n0.399508 0.899508 0.799016 Co\n0.100492 0.600492 0.200984 Co\n0.100492 0.899508 0.500000 Co\n0.399508 0.600492 0.500000 Co\n0.600492 0.399508 0.500000 Co\n0.899508 0.100492 0.500000 Co\n0.899508 0.399508 0.799016 Co\n0.600492 0.100492 0.200984 Co\n0.293612 0.293612 0.587225 Si\n0.706388 0.706388 0.412775 Si\n0.706388 0.293612 0.000000 Si\n0.293612 0.706388 0.000000 Si\n0.000000 0.294202 0.294202 Si\n0.000000 0.705798 0.705798 Si\n0.705798 0.000000 0.705798 Si\n0.294202 0.000000 0.294202 Si\n0.500000 0.905200 0.405200 Si\n0.500000 0.094800 0.594800 Si\n0.094800 0.500000 0.594800 Si\n0.905200 0.500000 0.405200 Si\n0.749863 0.749863 0.000000 Si\n0.250137 0.250137 0.000000 Si\n",
"nsites": 30,
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],
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"density": 5.3936554697973875,
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"volume": 384.09686341936975,
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"formula_full": "Ti8 Co8 Si14",
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"spacegroup": 139
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{
"id": "mp-557961",
"created_at": "2022-09-04T14:42:57.646251Z",
"structure_string": "Sb6 C6 N6 Cl24 O6\n1.0\n6.028670 -10.441962 0.000000\n6.028670 10.441962 0.000000\n0.000000 0.000000 10.536339\nSb C N Cl O\n6 6 6 24 6\ndirect\n0.634114 0.952708 0.250000 Sb\n0.318594 0.365886 0.250000 Sb\n0.952708 0.318594 0.750000 Sb\n0.047292 0.681406 0.250000 Sb\n0.681406 0.634114 0.750000 Sb\n0.365886 0.047292 0.750000 Sb\n0.296721 0.755917 0.250000 C\n0.755917 0.459196 0.750000 C\n0.703279 0.244083 0.750000 C\n0.459196 0.703279 0.250000 C\n0.244083 0.540804 0.250000 C\n0.540804 0.296721 0.750000 C\n0.371677 0.577785 0.250000 N\n0.793892 0.371677 0.750000 N\n0.577785 0.206108 0.750000 N\n0.206108 0.628323 0.250000 N\n0.422215 0.793892 0.250000 N\n0.628323 0.422215 0.750000 N\n0.814886 0.855912 0.750000 Cl\n0.958974 0.814886 0.250000 Cl\n0.687240 0.620017 0.527065 Cl\n0.855912 0.041026 0.250000 Cl\n0.620017 0.932778 0.472935 Cl\n0.379983 0.067222 0.972935 Cl\n0.395159 0.869392 0.750000 Cl\n0.312760 0.379983 0.472935 Cl\n0.067222 0.687240 0.027065 Cl\n0.932778 0.312760 0.527065 Cl\n0.130608 0.525767 0.750000 Cl\n0.604841 0.130608 0.250000 Cl\n0.620017 0.932778 0.027065 Cl\n0.932778 0.312760 0.972935 Cl\n0.067222 0.687240 0.472935 Cl\n0.379983 0.067222 0.527065 Cl\n0.869392 0.474233 0.250000 Cl\n0.185114 0.144088 0.250000 Cl\n0.144088 0.958974 0.750000 Cl\n0.687240 0.620017 0.972935 Cl\n0.312760 0.379983 0.027065 Cl\n0.474233 0.604841 0.750000 Cl\n0.041026 0.185114 0.750000 Cl\n0.525767 0.395159 0.250000 Cl\n0.250965 0.831605 0.250000 O\n0.168395 0.419359 0.250000 O\n0.419359 0.250965 0.750000 O\n0.580641 0.749035 0.250000 O\n0.749035 0.168395 0.750000 O\n0.831605 0.580641 0.750000 O\n",
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{
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"structure_string": "K8 V4 P4 O24\n1.0\n13.630173 0.000000 0.000000\n0.000000 7.016531 0.000000\n0.000000 4.206759 7.166031\nK V P O\n8 4 4 24\ndirect\n0.581551 0.283256 0.414666 K\n0.633152 0.088004 0.052063 K\n0.418449 0.716744 0.585334 K\n0.081551 0.716744 0.085334 K\n0.918449 0.283256 0.914666 K\n0.366848 0.911996 0.947937 K\n0.866848 0.088004 0.552063 K\n0.133152 0.911996 0.447937 K\n0.200820 0.396470 0.899692 V\n0.799180 0.603530 0.100308 V\n0.700820 0.603530 0.600308 V\n0.299180 0.396470 0.399692 V\n0.622463 0.771801 0.801933 P\n0.877537 0.771801 0.301933 P\n0.377537 0.228199 0.198067 P\n0.122463 0.228199 0.698067 P\n0.529775 0.905390 0.767513 O\n0.970225 0.905390 0.267513 O\n0.673684 0.734176 0.984009 O\n0.762516 0.338619 0.206504 O\n0.173684 0.265824 0.515991 O\n0.326316 0.265824 0.015991 O\n0.373067 0.349671 0.575100 O\n0.394409 0.455351 0.191709 O\n0.826316 0.734176 0.484009 O\n0.303746 0.122889 0.366232 O\n0.873067 0.650329 0.924900 O\n0.605591 0.544649 0.808291 O\n0.262516 0.661381 0.293496 O\n0.237484 0.661381 0.793496 O\n0.196254 0.122889 0.866232 O\n0.803746 0.877111 0.133768 O\n0.696254 0.877111 0.633768 O\n0.894409 0.544649 0.308291 O\n0.105591 0.455351 0.691709 O\n0.029775 0.094610 0.732487 O\n0.126933 0.349671 0.075100 O\n0.626933 0.650329 0.424900 O\n0.470225 0.094610 0.232487 O\n0.737484 0.338619 0.706504 O\n",
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{
"id": "mp-1581648",
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"structure_string": "Li4 Co4 B4 O12\n1.0\n-0.140639 -0.000096 3.115334\n9.091118 0.000000 0.462841\n0.000006 9.445018 -0.000298\nLi Co B O\n4 4 4 12\ndirect\n0.258174 0.133037 0.700907 Li\n0.245329 0.366711 0.201710 Li\n0.758183 0.633039 0.799093 Li\n0.745297 0.866712 0.298295 Li\n0.743257 0.205844 0.939726 Co\n0.243300 0.705838 0.560272 Co\n0.751098 0.294225 0.439700 Co\n0.251211 0.794233 0.060296 Co\n0.244004 0.103917 0.209951 B\n0.256607 0.396149 0.709752 B\n0.743975 0.603918 0.290049 B\n0.756609 0.896143 0.790246 B\n0.761715 0.046648 0.785572 O\n0.743552 0.453361 0.285526 O\n0.261692 0.546654 0.714434 O\n0.243464 0.953361 0.214477 O\n0.248119 0.185772 0.334105 O\n0.254525 0.314062 0.833736 O\n0.747993 0.685771 0.165895 O\n0.754497 0.814058 0.666262 O\n0.241540 0.183298 0.082190 O\n0.252169 0.316981 0.581897 O\n0.741509 0.683295 0.417811 O\n0.752181 0.816973 0.918101 O\n",
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{
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},
{
"id": "mp-1195095",
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"structure_string": "K4 Cu4 Sb12 F72\n1.0\n9.904357 0.000000 0.000000\n0.000000 11.193896 0.000000\n0.000000 0.000000 14.721353\nK Cu Sb F\n4 4 12 72\ndirect\n0.533242 0.921762 0.750000 K\n0.966758 0.421762 0.750000 K\n0.466758 0.078238 0.250000 K\n0.033242 0.578238 0.250000 K\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.096316 0.025028 0.750000 Sb\n0.403684 0.525028 0.750000 Sb\n0.903684 0.974972 0.250000 Sb\n0.596316 0.474972 0.250000 Sb\n0.695311 0.201906 0.547292 Sb\n0.804689 0.701906 0.952708 Sb\n0.304689 0.798094 0.047292 Sb\n0.195311 0.298094 0.452708 Sb\n0.304689 0.798094 0.452708 Sb\n0.195311 0.298094 0.047292 Sb\n0.695311 0.201906 0.952708 Sb\n0.804689 0.701906 0.547292 Sb\n0.096838 0.028955 0.615615 F\n0.403162 0.528955 0.884385 F\n0.903162 0.971045 0.115615 F\n0.596838 0.471045 0.384385 F\n0.903162 0.971045 0.384385 F\n0.596838 0.471045 0.115615 F\n0.096838 0.028955 0.884385 F\n0.403162 0.528955 0.615615 F\n0.121020 0.857534 0.750000 F\n0.378980 0.357534 0.750000 F\n0.878980 0.142466 0.250000 F\n0.621020 0.642466 0.250000 F\n0.287474 0.043903 0.750000 F\n0.212526 0.543903 0.750000 F\n0.712526 0.956097 0.250000 F\n0.787474 0.456097 0.250000 F\n0.077477 0.194629 0.750000 F\n0.422523 0.694629 0.750000 F\n0.922523 0.805371 0.250000 F\n0.577477 0.305371 0.250000 F\n0.905801 0.007337 0.750000 F\n0.594199 0.507337 0.750000 F\n0.094199 0.992663 0.250000 F\n0.405801 0.492663 0.250000 F\n0.834685 0.071934 0.548194 F\n0.665315 0.571934 0.951806 F\n0.165315 0.928066 0.048194 F\n0.334685 0.428066 0.451806 F\n0.165315 0.928066 0.451806 F\n0.334685 0.428066 0.048194 F\n0.834685 0.071934 0.951806 F\n0.665315 0.571934 0.548194 F\n0.798608 0.288217 0.461092 F\n0.701392 0.788217 0.038908 F\n0.201392 0.711783 0.961092 F\n0.298608 0.211783 0.538908 F\n0.201392 0.711783 0.538908 F\n0.298608 0.211783 0.961092 F\n0.798608 0.288217 0.038908 F\n0.701392 0.788217 0.461092 F\n0.601243 0.122859 0.451902 F\n0.898757 0.622859 0.048098 F\n0.398757 0.877141 0.951902 F\n0.101243 0.377141 0.548098 F\n0.398757 0.877141 0.548098 F\n0.101243 0.377141 0.951902 F\n0.601243 0.122859 0.048098 F\n0.898757 0.622859 0.451902 F\n0.561413 0.327685 0.551664 F\n0.938587 0.827685 0.948336 F\n0.438587 0.672315 0.051664 F\n0.061413 0.172315 0.448336 F\n0.438587 0.672315 0.448336 F\n0.061413 0.172315 0.051664 F\n0.561413 0.327685 0.948336 F\n0.938587 0.827685 0.551664 F\n0.598197 0.109939 0.634582 F\n0.901803 0.609939 0.865418 F\n0.401803 0.890061 0.134582 F\n0.098197 0.390061 0.365418 F\n0.401803 0.890061 0.365418 F\n0.098197 0.390061 0.134582 F\n0.598197 0.109939 0.865418 F\n0.901803 0.609939 0.634582 F\n0.791782 0.278257 0.643713 F\n0.708218 0.778257 0.856287 F\n0.208218 0.721743 0.143713 F\n0.291782 0.221743 0.356287 F\n0.208218 0.721743 0.356287 F\n0.291782 0.221743 0.143713 F\n0.791782 0.278257 0.856287 F\n0.708218 0.778257 0.643713 F\n",
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"elements": [
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"Sb",
"F"
],
"chemical_system": "Cu-F-K-Sb",
"density": 3.2959667759997044,
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"formula_full": "K4 Cu4 Sb12 F72",
"formula_reduced": "KCuSb3F18",
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"updated_at": "2021-11-28T01:36:09.344000Z",
"spacegroup": 62
},
{
"id": "mp-757919",
"created_at": "2022-09-04T14:42:55.419307Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n7.985206 -0.080998 -0.129336\n-0.767813 6.400225 -0.574427\n-1.543740 -2.121114 5.632749\nLi V P O\n2 2 4 14\ndirect\n0.000000 0.000068 0.999849 Li\n0.500014 0.000012 0.999963 Li\n0.231198 0.689558 0.389168 V\n0.768796 0.310427 0.610858 V\n0.219724 0.550851 0.825542 P\n0.313108 0.222597 0.433041 P\n0.686888 0.777379 0.566969 P\n0.780273 0.449154 0.174473 P\n0.034963 0.392498 0.735807 O\n0.230795 0.748441 0.742425 O\n0.192046 0.993952 0.381164 O\n0.206776 0.325211 0.271966 O\n0.350817 0.398739 0.719262 O\n0.310903 0.657328 0.104291 O\n0.505461 0.798964 0.599972 O\n0.494541 0.201040 0.400035 O\n0.689088 0.342676 0.895717 O\n0.649187 0.601296 0.280740 O\n0.793201 0.674717 0.728011 O\n0.807998 0.006046 0.618965 O\n0.769185 0.251561 0.257579 O\n0.965039 0.607486 0.264203 O\n",
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}
]
}