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{
"id": "mp-625857",
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{
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"structure_string": "Mn2 Al4 P4 H40 O32\n1.0\n-7.084220 -0.005690 -0.033410\n3.556871 -9.227217 -3.219317\n-0.020559 0.028008 10.665943\nMn Al P H O\n2 4 4 40 32\ndirect\n0.628114 0.778130 0.510697 Mn\n0.371886 0.221870 0.489303 Mn\n0.740127 0.750278 0.002050 Al\n0.259873 0.249722 0.997950 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.434184 0.590654 0.181060 P\n0.565816 0.409346 0.818940 P\n0.863304 0.954247 0.825744 P\n0.136696 0.045753 0.174256 P\n0.282186 0.815243 0.484570 H\n0.717814 0.184757 0.515430 H\n0.786883 0.046163 0.155369 H\n0.213117 0.953837 0.844631 H\n0.020650 0.323416 0.285113 H\n0.979350 0.676584 0.714887 H\n0.877945 0.614006 0.384183 H\n0.122055 0.385994 0.615817 H\n0.832457 0.375352 0.157734 H\n0.167543 0.624648 0.842266 H\n0.401368 0.549515 0.602762 H\n0.598632 0.450485 0.397238 H\n0.151195 0.891222 0.350383 H\n0.848805 0.108778 0.649617 H\n0.426692 0.784464 0.056276 H\n0.573308 0.215536 0.943724 H\n0.904403 0.970568 0.370990 H\n0.095597 0.029432 0.629010 H\n0.076866 0.760559 0.056615 H\n0.923134 0.239442 0.943385 H\n0.572946 0.665360 0.718759 H\n0.427054 0.334640 0.281241 H\n0.350219 0.875551 0.752283 H\n0.649781 0.124449 0.247717 H\n0.684926 0.451789 0.131318 H\n0.315074 0.548211 0.868682 H\n0.149681 0.615314 0.382203 H\n0.850319 0.384686 0.617797 H\n0.105533 0.360932 0.462219 H\n0.894467 0.639068 0.537781 H\n0.107554 0.811749 0.341617 H\n0.892446 0.188251 0.658383 H\n0.107098 0.642012 0.335076 H\n0.892902 0.357988 0.664924 H\n0.002607 0.390093 0.328840 H\n0.997393 0.609907 0.671160 H\n0.358368 0.969795 0.589309 H\n0.641632 0.030205 0.410691 H\n0.715746 0.833112 0.284882 H\n0.284254 0.166888 0.715118 H\n0.847470 0.920486 0.672637 O\n0.152530 0.079514 0.327363 O\n0.383615 0.875841 0.562013 O\n0.616385 0.124159 0.437987 O\n0.484818 0.653372 0.641054 O\n0.515182 0.346628 0.358946 O\n0.913897 0.941050 0.120133 O\n0.086103 0.058950 0.879867 O\n0.954471 0.675082 0.015644 O\n0.045529 0.324918 0.984356 O\n0.630711 0.700523 0.153626 O\n0.369289 0.299477 0.846374 O\n0.832711 0.466101 0.148336 O\n0.167289 0.533899 0.851664 O\n0.282780 0.969340 0.108699 O\n0.717220 0.030660 0.891301 O\n0.524838 0.826263 0.002490 O\n0.475162 0.173737 0.997510 O\n0.178478 0.190731 0.147589 O\n0.821522 0.809269 0.852411 O\n0.244541 0.604599 0.121170 O\n0.755459 0.395401 0.878830 O\n0.763347 0.911172 0.377199 O\n0.236653 0.088828 0.622801 O\n0.447766 0.627323 0.332528 O\n0.552234 0.372677 0.667472 O\n0.699701 0.107425 0.160371 O\n0.300299 0.892575 0.839629 O\n0.437698 0.434520 0.115726 O\n0.562302 0.565480 0.884274 O\n0.197920 0.377093 0.539016 O\n0.802080 0.622907 0.460984 O\n",
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"elements": [
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{
"id": "mp-866034",
"created_at": "2022-09-04T14:40:27.040618Z",
"structure_string": "Gd1 Cd1 Pd2\n1.0\n0.000000 3.419386 3.419386\n3.419386 0.000000 3.419386\n3.419386 3.419386 0.000000\nGd Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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"updated_at": "2021-11-28T01:34:55.636000Z",
"spacegroup": 225
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{
"id": "mp-1183107",
"created_at": "2022-09-04T14:40:27.045160Z",
"structure_string": "Ac6 I2\n1.0\n3.961811 -6.862057 0.000000\n3.961811 6.862057 0.000000\n0.000000 0.000000 6.043381\nAc I\n6 2\ndirect\n0.168776 0.337551 0.250000 Ac\n0.662449 0.831224 0.250000 Ac\n0.168776 0.831224 0.250000 Ac\n0.831224 0.662449 0.750000 Ac\n0.337551 0.168776 0.750000 Ac\n0.831224 0.168776 0.750000 Ac\n0.333333 0.666667 0.750000 I\n0.666667 0.333333 0.250000 I\n",
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{
"id": "mp-23045",
"created_at": "2022-09-04T14:40:27.053995Z",
"structure_string": "B3 N3 Cl6\n1.0\n4.571307 -4.552799 0.000000\n4.571307 4.552799 0.000000\n0.036940 0.000000 6.451625\nB N Cl\n3 3 6\ndirect\n0.934688 0.182660 0.877980 B\n0.182660 0.877980 0.934688 B\n0.877980 0.934688 0.182660 B\n0.060288 0.822707 0.114536 N\n0.822707 0.114536 0.060288 N\n0.114536 0.060288 0.822707 N\n0.856814 0.397380 0.731548 Cl\n0.397380 0.731548 0.856814 Cl\n0.731548 0.856814 0.397380 Cl\n0.134044 0.610066 0.256288 Cl\n0.610066 0.256288 0.134044 Cl\n0.256288 0.134044 0.610066 Cl\n",
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{
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{
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"structure_string": "Y1 Mg1 Cu4\n1.0\n0.000000 3.611980 3.611980\n3.611980 0.000000 3.611980\n3.611980 3.611980 0.000000\nY Mg Cu\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Mg\n0.373827 0.878520 0.373827 Cu\n0.373827 0.373827 0.878520 Cu\n0.878520 0.373827 0.373827 Cu\n0.373827 0.373827 0.373827 Cu\n",
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{
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"structure_string": "Pt2 O2\n1.0\n3.158604 0.000000 0.000000\n0.000000 3.158604 0.000000\n0.000000 0.000000 5.358894\nPt O\n2 2\ndirect\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n",
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{
"id": "mp-1205086",
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"structure_string": "Yb6 Sn26 Ir8\n1.0\n9.800353 0.000000 0.000000\n0.000000 9.800353 0.000000\n0.000000 0.000000 9.800353\nYb Sn Ir\n6 26 8\ndirect\n0.500000 0.000000 0.750000 Yb\n0.000000 0.250000 0.500000 Yb\n0.750000 0.500000 0.000000 Yb\n0.500000 0.000000 0.250000 Yb\n0.000000 0.750000 0.500000 Yb\n0.250000 0.500000 0.000000 Yb\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.651808 0.194607 0.500000 Sn\n0.805393 0.500000 0.651808 Sn\n0.500000 0.348192 0.805393 Sn\n0.348192 0.805393 0.500000 Sn\n0.194607 0.500000 0.348192 Sn\n0.500000 0.651808 0.194607 Sn\n0.651808 0.805393 0.500000 Sn\n0.805393 0.500000 0.348192 Sn\n0.348192 0.194607 0.500000 Sn\n0.194607 0.500000 0.651808 Sn\n0.500000 0.651808 0.805393 Sn\n0.500000 0.348192 0.194607 Sn\n0.151808 0.000000 0.694607 Sn\n0.305393 0.151808 0.000000 Sn\n0.000000 0.305393 0.848192 Sn\n0.848192 0.000000 0.305393 Sn\n0.694607 0.848192 0.000000 Sn\n0.000000 0.694607 0.151808 Sn\n0.151808 0.000000 0.305393 Sn\n0.305393 0.848192 0.000000 Sn\n0.848192 0.000000 0.694607 Sn\n0.694607 0.151808 0.000000 Sn\n0.000000 0.305393 0.151808 Sn\n0.000000 0.694607 0.848192 Sn\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
"id": "mp-676324",
"created_at": "2022-09-04T14:40:27.068476Z",
"structure_string": "Li11 Ti1 P5\n1.0\n2.056312 6.888727 0.000000\n-2.056312 6.888727 0.000000\n0.000000 4.811141 9.073877\nLi Ti P\n11 1 5\ndirect\n0.198252 0.198252 0.923291 Li\n0.604469 0.604469 0.096937 Li\n0.607494 0.607494 0.349667 Li\n0.601071 0.601071 0.848922 Li\n0.990957 0.990957 0.255227 Li\n0.020244 0.020244 0.739006 Li\n0.393732 0.393732 0.918927 Li\n0.416273 0.416273 0.640937 Li\n0.383495 0.383495 0.169371 Li\n0.796869 0.796869 0.078320 Li\n0.194184 0.194184 0.435132 Li\n0.796613 0.796613 0.558322 Ti\n0.994958 0.994958 0.002684 P\n0.387575 0.387575 0.419622 P\n0.808006 0.808006 0.783504 P\n0.191555 0.191555 0.182620 P\n0.614253 0.614253 0.597510 P\n",
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{
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"structure_string": "Lu6 Al2 Ni16\n1.0\n2.496920 -4.324793 0.000000\n2.496920 4.324793 0.000000\n0.000000 0.000000 15.841632\nLu Al Ni\n6 2 16\ndirect\n0.333333 0.666667 0.956155 Lu\n0.666667 0.333333 0.043845 Lu\n0.666667 0.333333 0.456155 Lu\n0.333333 0.666667 0.543845 Lu\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.169248 0.830752 0.375083 Ni\n0.169248 0.338496 0.375083 Ni\n0.661504 0.830752 0.375083 Ni\n0.830752 0.169248 0.624917 Ni\n0.830752 0.661504 0.624917 Ni\n0.338496 0.169248 0.624917 Ni\n0.830752 0.169248 0.875083 Ni\n0.830752 0.661504 0.875083 Ni\n0.338496 0.169248 0.875083 Ni\n0.169248 0.830752 0.124917 Ni\n0.169248 0.338496 0.124917 Ni\n0.661504 0.830752 0.124917 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n",
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"elements": [
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],
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"formula_full": "Lu6 Al2 Ni16",
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"updated_at": "2021-11-28T01:35:00.163000Z",
"spacegroup": 194
},
{
"id": "mp-773133",
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"structure_string": "K12 Cu4 B8 P16 H12 O68\n1.0\n17.840987 0.000000 0.000000\n0.000000 9.490984 0.000000\n0.000000 3.643707 8.991501\nK Cu B P H O\n12 4 8 16 12 68\ndirect\n0.868752 0.055320 0.015774 K\n0.631248 0.555320 0.015774 K\n0.130863 0.463994 0.372060 K\n0.888006 0.098325 0.543301 K\n0.388006 0.401675 0.456699 K\n0.630863 0.036006 0.627940 K\n0.369137 0.963994 0.372060 K\n0.611994 0.598325 0.543301 K\n0.111994 0.901675 0.456699 K\n0.869137 0.536006 0.627940 K\n0.368752 0.444680 0.984226 K\n0.131248 0.944680 0.984226 K\n0.832302 0.436660 0.025918 Cu\n0.667698 0.936660 0.025918 Cu\n0.332302 0.063340 0.974082 Cu\n0.167698 0.563340 0.974082 Cu\n0.586692 0.206993 0.011142 B\n0.913308 0.706993 0.011142 B\n0.908391 0.492615 0.276698 B\n0.591609 0.992615 0.276698 B\n0.408391 0.007385 0.723302 B\n0.091609 0.507385 0.723302 B\n0.086692 0.293007 0.988858 B\n0.413308 0.793007 0.988858 B\n0.219495 0.222962 0.141715 P\n0.977668 0.269910 0.203784 P\n0.518724 0.256499 0.246882 P\n0.280505 0.722962 0.141715 P\n0.522332 0.769910 0.203784 P\n0.759184 0.393498 0.349172 P\n0.981276 0.756499 0.246882 P\n0.740816 0.893498 0.349172 P\n0.259184 0.106502 0.650828 P\n0.018724 0.243501 0.753118 P\n0.240816 0.606502 0.650828 P\n0.477668 0.230090 0.796216 P\n0.719495 0.277038 0.858285 P\n0.481276 0.743501 0.753118 P\n0.022332 0.730090 0.796216 P\n0.780505 0.777038 0.858285 P\n0.759609 0.151995 0.270733 H\n0.222639 0.167262 0.392203 H\n0.534481 0.474681 0.296939 H\n0.740391 0.651995 0.270733 H\n0.277361 0.667262 0.392203 H\n0.965519 0.974681 0.296939 H\n0.034481 0.025319 0.703061 H\n0.722639 0.332738 0.607797 H\n0.259609 0.348005 0.729267 H\n0.465519 0.525319 0.703061 H\n0.777361 0.832738 0.607797 H\n0.240391 0.848005 0.729267 H\n0.148507 0.184944 0.065110 O\n0.618242 0.068157 0.123538 O\n0.291707 0.189126 0.076143 O\n0.537433 0.291086 0.077513 O\n0.906141 0.273523 0.115729 O\n0.046277 0.338718 0.098243 O\n0.217131 0.389004 0.129076 O\n0.351493 0.684944 0.065110 O\n0.881758 0.568157 0.123538 O\n0.208293 0.689126 0.076143 O\n0.782270 0.049227 0.327034 O\n0.747985 0.349016 0.215449 O\n0.995840 0.109986 0.314418 O\n0.215594 0.115067 0.310655 O\n0.435942 0.255935 0.272245 O\n0.962567 0.791086 0.077513 O\n0.560346 0.103442 0.337066 O\n0.593859 0.773523 0.115729 O\n0.453723 0.838718 0.098243 O\n0.561272 0.377400 0.292084 O\n0.969578 0.378852 0.292855 O\n0.282869 0.889004 0.129076 O\n0.717730 0.549227 0.327034 O\n0.752015 0.849016 0.215449 O\n0.845827 0.414500 0.376859 O\n0.504160 0.609986 0.314418 O\n0.284406 0.615067 0.310655 O\n0.064058 0.755935 0.272245 O\n0.939654 0.603442 0.337066 O\n0.229755 0.222687 0.504783 O\n0.729755 0.277313 0.495217 O\n0.938728 0.877400 0.292084 O\n0.530422 0.878852 0.292855 O\n0.345827 0.085500 0.623141 O\n0.654173 0.914500 0.376859 O\n0.469578 0.121148 0.707145 O\n0.061272 0.122600 0.707916 O\n0.270245 0.722687 0.504783 O\n0.770245 0.777313 0.495217 O\n0.060346 0.396558 0.662934 O\n0.935942 0.244065 0.727755 O\n0.715594 0.384933 0.689345 O\n0.495840 0.390014 0.685582 O\n0.154173 0.585500 0.623141 O\n0.247985 0.150984 0.784551 O\n0.282270 0.450773 0.672966 O\n0.717131 0.110996 0.870924 O\n0.030422 0.621148 0.707145 O\n0.438728 0.622600 0.707916 O\n0.546277 0.161282 0.901757 O\n0.406141 0.226477 0.884271 O\n0.439654 0.896558 0.662934 O\n0.037433 0.208914 0.922487 O\n0.564058 0.744065 0.727755 O\n0.784406 0.884933 0.689345 O\n0.004160 0.890014 0.685582 O\n0.252015 0.650984 0.784551 O\n0.217730 0.950773 0.672966 O\n0.791707 0.310874 0.923857 O\n0.118242 0.431843 0.876462 O\n0.648507 0.315056 0.934890 O\n0.782869 0.610996 0.870924 O\n0.953723 0.661282 0.901757 O\n0.093859 0.726477 0.884271 O\n0.462567 0.708914 0.922487 O\n0.708293 0.810874 0.923857 O\n0.381758 0.931843 0.876462 O\n0.851493 0.815056 0.934890 O\n",
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"elements": [
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"formula_full": "K12 Cu4 B8 P16 H12 O68",
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}
]
}