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{
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"results": [
{
"id": "mp-1206192",
"created_at": "2022-09-04T14:45:25.653138Z",
"structure_string": "Y7 Te2 Au2\n1.0\n-2.036585 4.909191 7.853459\n2.036585 -4.909191 7.853459\n2.036585 4.909191 -7.853459\nY Te Au\n7 2 2\ndirect\n0.541407 0.125409 0.415997 Y\n0.290588 0.874591 0.415997 Y\n0.941334 0.316417 0.624917 Y\n0.308500 0.683583 0.624917 Y\n0.622376 0.359907 0.262469 Y\n0.902562 0.640093 0.262469 Y\n0.003985 0.000000 0.003985 Y\n0.262932 0.500000 0.762932 Te\n0.664071 0.000000 0.664071 Te\n0.163436 0.236883 0.926552 Au\n0.689669 0.763117 0.926552 Au\n",
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{
"id": "mp-758245",
"created_at": "2022-09-04T14:45:26.469650Z",
"structure_string": "Li12 Si4 Bi4 O20\n1.0\n5.286225 0.000000 0.000000\n0.000000 5.519911 0.000000\n0.000000 0.000000 16.595623\nLi Si Bi O\n12 4 4 20\ndirect\n0.997519 0.662562 0.578064 Li\n0.997519 0.162562 0.921936 Li\n0.515398 0.325323 0.984292 Li\n0.515398 0.825323 0.515708 Li\n0.482327 0.297755 0.806539 Li\n0.482327 0.797755 0.693461 Li\n0.497519 0.337438 0.421936 Li\n0.497519 0.837438 0.078064 Li\n0.015398 0.674677 0.015708 Li\n0.015398 0.174677 0.484292 Li\n0.982327 0.202245 0.306539 Li\n0.982327 0.702245 0.193461 Li\n0.005413 0.167614 0.094010 Si\n0.005413 0.667614 0.405990 Si\n0.505413 0.332386 0.594010 Si\n0.505413 0.832386 0.905990 Si\n0.034595 0.181403 0.682763 Bi\n0.034595 0.681403 0.817237 Bi\n0.534595 0.318597 0.182763 Bi\n0.534595 0.818597 0.317237 Bi\n0.103398 0.295196 0.811240 O\n0.103398 0.795196 0.688760 O\n0.130624 0.400706 0.392081 O\n0.130624 0.900706 0.107919 O\n0.151494 0.335765 0.027478 O\n0.151494 0.835765 0.472522 O\n0.975182 0.316063 0.184352 O\n0.975182 0.816063 0.315648 O\n0.199052 0.354878 0.569703 O\n0.199052 0.854878 0.930297 O\n0.603398 0.204804 0.311240 O\n0.603398 0.704804 0.188760 O\n0.630624 0.099294 0.892081 O\n0.630624 0.599294 0.607919 O\n0.651494 0.164235 0.527478 O\n0.651494 0.664235 0.972522 O\n0.475182 0.183937 0.684352 O\n0.475182 0.683937 0.815648 O\n0.699052 0.145122 0.069703 O\n0.699052 0.645122 0.430297 O\n",
"nsites": 40,
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"elements": [
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],
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"volume": 484.2518406967758,
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"formula_full": "Li12 Si4 Bi4 O20",
"formula_reduced": "Li3SiBiO5",
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"energy": -256.43513078,
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"spacegroup": 33
},
{
"id": "mp-679989",
"created_at": "2022-09-04T14:45:33.807416Z",
"structure_string": "Bi4 Mo24 Cl60\n1.0\n6.689055 6.520228 0.000000\n-6.689055 6.520228 0.000000\n0.000000 0.793634 26.482457\nBi Mo Cl\n4 24 60\ndirect\n0.668749 0.757475 0.391671 Bi\n0.757475 0.668749 0.891671 Bi\n0.331251 0.242525 0.608329 Bi\n0.242525 0.331251 0.108329 Bi\n0.671939 0.796773 0.063921 Mo\n0.182238 0.228350 0.301094 Mo\n0.441757 0.299572 0.850129 Mo\n0.823775 0.639121 0.125826 Mo\n0.914528 0.886479 0.612112 Mo\n0.977049 0.622172 0.637071 Mo\n0.817762 0.771650 0.698906 Mo\n0.377828 0.022951 0.862929 Mo\n0.639121 0.823775 0.625826 Mo\n0.328061 0.203227 0.936079 Mo\n0.886479 0.914528 0.112112 Mo\n0.228350 0.182238 0.801094 Mo\n0.558243 0.700428 0.149871 Mo\n0.796773 0.671939 0.563921 Mo\n0.022951 0.377828 0.362929 Mo\n0.299572 0.441757 0.350129 Mo\n0.700428 0.558243 0.649871 Mo\n0.622172 0.977049 0.137071 Mo\n0.203227 0.328061 0.436079 Mo\n0.085472 0.113521 0.387888 Mo\n0.360879 0.176225 0.374174 Mo\n0.771650 0.817762 0.198906 Mo\n0.176225 0.360879 0.874174 Mo\n0.113521 0.085472 0.887888 Mo\n0.925257 0.169918 0.317176 Cl\n0.898930 0.941908 0.919370 Cl\n0.424706 0.856644 0.091684 Cl\n0.213642 0.510868 0.649371 Cl\n0.056258 0.735553 0.554919 Cl\n0.761366 0.020204 0.671605 Cl\n0.510868 0.213642 0.149371 Cl\n0.538884 0.617394 0.579793 Cl\n0.877046 0.517724 0.717554 Cl\n0.827486 0.838129 0.787707 Cl\n0.161871 0.172514 0.712293 Cl\n0.596733 0.048913 0.376742 Cl\n0.979796 0.238634 0.828395 Cl\n0.452062 0.661098 0.325296 Cl\n0.786358 0.489132 0.350629 Cl\n0.076450 0.262387 0.955665 Cl\n0.143356 0.575294 0.408316 Cl\n0.403267 0.951087 0.623258 Cl\n0.122954 0.482276 0.282446 Cl\n0.534666 0.239190 0.544353 Cl\n0.382606 0.461116 0.920207 Cl\n0.048913 0.596733 0.876742 Cl\n0.264447 0.943742 0.945081 Cl\n0.489132 0.786358 0.850629 Cl\n0.215050 0.407883 0.525167 Cl\n0.238634 0.979796 0.328395 Cl\n0.856644 0.424706 0.591684 Cl\n0.575294 0.143356 0.908316 Cl\n0.442047 0.291341 0.292549 Cl\n0.482276 0.122954 0.782446 Cl\n0.557953 0.708659 0.707451 Cl\n0.735553 0.056258 0.054919 Cl\n0.262387 0.076450 0.455665 Cl\n0.169918 0.925257 0.817176 Cl\n0.661098 0.452062 0.825296 Cl\n0.784950 0.592117 0.474833 Cl\n0.547938 0.338902 0.674704 Cl\n0.407883 0.215050 0.025167 Cl\n0.074743 0.830082 0.682824 Cl\n0.838129 0.827486 0.287707 Cl\n0.461116 0.382606 0.420207 Cl\n0.708659 0.557953 0.207451 Cl\n0.465334 0.760810 0.455647 Cl\n0.058092 0.101070 0.580630 Cl\n0.172514 0.161871 0.212293 Cl\n0.338902 0.547938 0.174704 Cl\n0.592117 0.784950 0.974833 Cl\n0.943742 0.264447 0.445081 Cl\n0.941908 0.898930 0.419370 Cl\n0.101070 0.058092 0.080630 Cl\n0.239190 0.534666 0.044353 Cl\n0.020204 0.761366 0.171605 Cl\n0.951087 0.403267 0.123258 Cl\n0.830082 0.074743 0.182824 Cl\n0.617394 0.538884 0.079793 Cl\n0.291341 0.442047 0.792549 Cl\n0.760810 0.465334 0.955647 Cl\n0.737613 0.923550 0.544335 Cl\n0.517724 0.877046 0.217554 Cl\n0.923550 0.737613 0.044335 Cl\n",
"nsites": 88,
"nelements": 3,
"elements": [
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"Mo",
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],
"chemical_system": "Bi-Cl-Mo",
"density": 3.78517725883465,
"density_atomic": 0.038094901181410824,
"volume": 2310.020429792882,
"volume_molar": 15.808259303055037,
"formula_full": "Bi4 Mo24 Cl60",
"formula_reduced": "Bi(Mo2Cl5)3",
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"energy": -506.0465237300001,
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"spacegroup": 15
},
{
"id": "mp-1184224",
"created_at": "2022-09-04T14:45:24.067597Z",
"structure_string": "Ga1 Sb3\n1.0\n0.000000 3.730595 3.730595\n3.730595 0.000000 3.730595\n3.730595 3.730595 0.000000\nGa Sb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.750000 Sb\n0.500000 0.500000 0.500000 Sb\n",
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"elements": [
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"density": 6.956279804127209,
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"volume": 103.8399109765008,
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"formula_full": "Ga1 Sb3",
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"updated_at": "2021-11-28T01:37:07.460000Z",
"spacegroup": 225
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{
"id": "mp-393",
"created_at": "2022-09-04T14:45:26.488447Z",
"structure_string": "Pd16 S7\n1.0\n-4.531629 4.531629 4.531629\n4.531629 -4.531629 4.531629\n4.531629 4.531629 -4.531629\nPd S\n16 7\ndirect\n0.000000 0.247626 0.585459 Pd\n0.585459 0.247626 0.000000 Pd\n0.414541 0.414541 0.662167 Pd\n0.662167 0.414541 0.414541 Pd\n0.752374 0.337833 0.752374 Pd\n0.770637 0.770637 0.770637 Pd\n0.000000 0.000000 0.229363 Pd\n0.229363 0.000000 0.000000 Pd\n0.000000 0.229363 0.000000 Pd\n0.000000 0.585459 0.247626 Pd\n0.337833 0.752374 0.752374 Pd\n0.752374 0.752374 0.337833 Pd\n0.247626 0.585459 0.000000 Pd\n0.585459 0.000000 0.247626 Pd\n0.247626 0.000000 0.585459 Pd\n0.414541 0.662167 0.414541 Pd\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.000000 0.687975 0.000000 S\n0.687975 0.000000 0.000000 S\n0.000000 0.000000 0.687975 S\n0.312025 0.312025 0.312025 S\n",
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{
"id": "mp-19917",
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"structure_string": "Zr2 Si2 Te2\n1.0\n3.698621 0.000000 0.000000\n0.000000 3.698621 0.000000\n0.000000 0.000000 9.887087\nZr Si Te\n2 2 2\ndirect\n0.000000 0.500000 0.283702 Zr\n0.500000 0.000000 0.716298 Zr\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.146940 Te\n0.000000 0.500000 0.853060 Te\n",
"nsites": 6,
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"density": 6.062739038952948,
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"formula_full": "Zr2 Si2 Te2",
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{
"id": "mp-1187111",
"created_at": "2022-09-04T14:45:24.070870Z",
"structure_string": "Sr2 Zn1 Ga1\n1.0\n0.000000 3.898348 3.898348\n3.898348 0.000000 3.898348\n3.898348 3.898348 0.000000\nSr Zn Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"formula_full": "Sr2 Zn1 Ga1",
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{
"id": "mp-1203666",
"created_at": "2022-09-04T14:45:26.477297Z",
"structure_string": "Li4 B4 H24 O4\n1.0\n-5.576711 0.000000 2.930635\n0.000000 -6.350813 0.000000\n5.590328 0.000000 7.195236\nLi B H O\n4 4 24 4\ndirect\n0.629685 0.080428 0.136984 Li\n0.870315 0.580428 0.363016 Li\n0.370315 0.919572 0.863016 Li\n0.129685 0.419572 0.636984 Li\n0.030111 0.089626 0.737957 B\n0.469889 0.589626 0.762043 B\n0.969889 0.910374 0.262043 B\n0.530111 0.410374 0.237957 B\n0.910077 0.781399 0.616699 H\n0.589923 0.281399 0.883301 H\n0.089923 0.218601 0.383301 H\n0.410077 0.718601 0.116699 H\n0.746182 0.601285 0.625428 H\n0.753818 0.101285 0.874572 H\n0.253818 0.398715 0.374572 H\n0.246182 0.898715 0.125427 H\n0.035393 0.964387 0.841009 H\n0.464607 0.464387 0.658991 H\n0.964607 0.035613 0.158991 H\n0.535393 0.535613 0.341009 H\n0.902193 0.034383 0.627508 H\n0.597807 0.534383 0.872492 H\n0.097807 0.965617 0.372492 H\n0.402193 0.465617 0.127508 H\n0.209360 0.105928 0.703125 H\n0.290640 0.605928 0.796875 H\n0.790640 0.894072 0.296875 H\n0.709360 0.394072 0.203125 H\n0.973371 0.261493 0.778961 H\n0.526629 0.761493 0.721039 H\n0.026629 0.738507 0.221039 H\n0.473371 0.238507 0.278961 H\n0.879060 0.632258 0.586769 O\n0.620940 0.132258 0.913231 O\n0.120940 0.367742 0.413231 O\n0.379060 0.867742 0.086769 O\n",
"nsites": 36,
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"elements": [
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"chemical_system": "B-H-Li-O",
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"formula_full": "Li4 B4 H24 O4",
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{
"id": "mp-865744",
"created_at": "2022-09-04T14:45:26.800001Z",
"structure_string": "Yb1 Cd1 Pd2\n1.0\n0.000000 3.357294 3.357294\n3.357294 0.000000 3.357294\n3.357294 3.357294 0.000000\nYb Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\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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{
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{
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"formula_full": "Rb8 Nd1 As4 S16",
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},
{
"id": "mp-604368",
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"structure_string": "K4 Na2 V10 H20 O38\n1.0\n-8.746685 0.000000 0.000000\n4.338434 9.582945 0.000000\n-0.532284 -4.098698 -10.357691\nK Na V H O\n4 2 10 20 38\ndirect\n0.314048 0.211071 0.010303 K\n0.234318 0.820335 0.581152 K\n0.765682 0.179665 0.418848 K\n0.685952 0.788929 0.989697 K\n0.426904 0.332219 0.372010 Na\n0.573096 0.667781 0.627990 Na\n0.668852 0.210319 0.775817 V\n0.813461 0.499448 0.019091 V\n0.123409 0.786700 0.000111 V\n0.027559 0.207096 0.732366 V\n0.972441 0.792904 0.267634 V\n0.876591 0.213300 0.999889 V\n0.972150 0.494398 0.753644 V\n0.027850 0.505602 0.246356 V\n0.331148 0.789681 0.224183 V\n0.186539 0.500552 0.980909 V\n0.628738 0.238380 0.162736 H\n0.219106 0.485737 0.454374 H\n0.423631 0.459582 0.783943 H\n0.079528 0.222475 0.236145 H\n0.485246 0.078562 0.153681 H\n0.601613 0.467492 0.748553 H\n0.901470 0.926558 0.788177 H\n0.920472 0.777525 0.763855 H\n0.656584 0.921010 0.564511 H\n0.098530 0.073442 0.211823 H\n0.549792 0.810140 0.432536 H\n0.777645 0.562351 0.430171 H\n0.514754 0.921438 0.846319 H\n0.780894 0.514263 0.545626 H\n0.222355 0.437649 0.569829 H\n0.343416 0.078990 0.435489 H\n0.371262 0.761620 0.837264 H\n0.398387 0.532508 0.251447 H\n0.576369 0.540418 0.216057 H\n0.450208 0.189860 0.567464 H\n0.625542 0.369714 0.925482 O\n0.474158 0.108558 0.702999 O\n0.468705 0.477357 0.238606 O\n0.531295 0.522643 0.761394 O\n0.297553 0.489000 0.516348 O\n0.181687 0.619174 0.880871 O\n0.472665 0.812594 0.800660 O\n0.818313 0.380826 0.119129 O\n0.795692 0.118377 0.675041 O\n0.894948 0.900402 0.367428 O\n0.840686 0.110972 0.089984 O\n0.897860 0.620047 0.914875 O\n0.161158 0.183745 0.243628 O\n0.159314 0.889028 0.910016 O\n0.838842 0.816255 0.756372 O\n0.231523 0.368566 0.854505 O\n0.105052 0.099598 0.632572 O\n0.943787 0.640765 0.335117 O\n0.204308 0.881623 0.324959 O\n0.056213 0.359235 0.664883 O\n0.000981 0.598249 0.664861 O\n0.999019 0.401751 0.335139 O\n0.525842 0.891442 0.297001 O\n0.068461 0.621238 0.103959 O\n0.328830 0.869029 0.097632 O\n0.978750 0.129576 0.866327 O\n0.671170 0.130971 0.902368 O\n0.768477 0.631434 0.145495 O\n0.442379 0.175627 0.476141 O\n0.374458 0.630286 0.074518 O\n0.748638 0.362379 0.703665 O\n0.702447 0.511000 0.483652 O\n0.102140 0.379953 0.085125 O\n0.527335 0.187406 0.199340 O\n0.021250 0.870424 0.133673 O\n0.251362 0.637621 0.296335 O\n0.931539 0.378762 0.896041 O\n0.557621 0.824373 0.523859 O\n",
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"formula_full": "K4 Na2 V10 H20 O38",
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}
]
}