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{
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{
"id": "mp-1212352",
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{
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{
"id": "mp-1195582",
"created_at": "2022-09-04T14:41:59.245641Z",
"structure_string": "La32 Sb8 S60\n1.0\n-8.019576 8.019576 9.968117\n8.019576 -8.019576 9.968117\n8.019576 8.019576 -9.968117\nLa Sb S\n32 8 60\ndirect\n0.419029 0.049298 0.330918 La\n0.218380 0.549298 0.630269 La\n0.838111 0.669029 0.869731 La\n0.338111 0.468380 0.169082 La\n0.718380 0.088111 0.669082 La\n0.919029 0.588111 0.369731 La\n0.799298 0.968380 0.130269 La\n0.299298 0.169029 0.830918 La\n0.345974 0.169289 0.135326 La\n0.533963 0.669289 0.823315 La\n0.960648 0.595974 0.676685 La\n0.460648 0.783963 0.364674 La\n0.033963 0.210648 0.864674 La\n0.845974 0.710648 0.176685 La\n0.919289 0.283963 0.323315 La\n0.419289 0.095974 0.635326 La\n0.434077 0.777290 0.068618 La\n0.208672 0.277290 0.343213 La\n0.115459 0.684077 0.156787 La\n0.615459 0.458672 0.431382 La\n0.708672 0.365459 0.931382 La\n0.934077 0.865459 0.656787 La\n0.527290 0.958672 0.843213 La\n0.027290 0.184077 0.568618 La\n0.153184 0.859999 0.008482 La\n0.351517 0.359999 0.706815 La\n0.894702 0.403184 0.793185 La\n0.394702 0.601517 0.491518 La\n0.851517 0.144702 0.991518 La\n0.653184 0.644702 0.293185 La\n0.609999 0.101517 0.206815 La\n0.109999 0.903184 0.508482 La\n0.258462 0.869664 0.818144 Sb\n0.551520 0.369664 0.611202 Sb\n0.190318 0.508462 0.888798 Sb\n0.690318 0.801520 0.681856 Sb\n0.051520 0.440318 0.181856 Sb\n0.758462 0.940318 0.388798 Sb\n0.619664 0.301520 0.111202 Sb\n0.119664 0.008462 0.318144 Sb\n0.249819 0.249819 0.000000 S\n0.749819 0.749819 0.000000 S\n0.999819 0.499819 0.500000 S\n0.499819 0.999819 0.500000 S\n0.166984 0.978340 0.891753 S\n0.586587 0.478340 0.811356 S\n0.025230 0.416984 0.688644 S\n0.525230 0.836587 0.608247 S\n0.086587 0.275230 0.108247 S\n0.666984 0.775230 0.188644 S\n0.728340 0.336587 0.311356 S\n0.228340 0.916984 0.391753 S\n0.379520 0.579102 0.852634 S\n0.226469 0.079102 0.199582 S\n0.276887 0.629520 0.300418 S\n0.776887 0.476469 0.647366 S\n0.726469 0.526887 0.147366 S\n0.879520 0.026887 0.800418 S\n0.329102 0.976469 0.699582 S\n0.829102 0.129520 0.352634 S\n0.383171 0.969205 0.096646 S\n0.372558 0.469205 0.586034 S\n0.036524 0.633171 0.913966 S\n0.536524 0.622558 0.403354 S\n0.872558 0.286524 0.903354 S\n0.883171 0.786524 0.413966 S\n0.719205 0.122558 0.086034 S\n0.219205 0.133171 0.596646 S\n0.029983 0.840453 0.116445 S\n0.224009 0.340453 0.810471 S\n0.663538 0.279983 0.689529 S\n0.163538 0.474009 0.383555 S\n0.724009 0.913538 0.883555 S\n0.529983 0.413538 0.189529 S\n0.590453 0.974009 0.310471 S\n0.090453 0.779983 0.616445 S\n0.378510 0.730382 0.691840 S\n0.538542 0.230382 0.351872 S\n0.436670 0.628510 0.148128 S\n0.936670 0.788542 0.808160 S\n0.038542 0.686670 0.308160 S\n0.878510 0.186670 0.648128 S\n0.480382 0.288542 0.851872 S\n0.980382 0.128510 0.191840 S\n0.302327 0.809723 0.176854 S\n0.132869 0.309723 0.507396 S\n0.875473 0.552327 0.992604 S\n0.375473 0.382869 0.323146 S\n0.632869 0.125473 0.823146 S\n0.802327 0.625473 0.492604 S\n0.559723 0.882869 0.007396 S\n0.059723 0.052327 0.676854 S\n0.203857 0.714956 0.835954 S\n0.379002 0.214956 0.511099 S\n0.117903 0.453857 0.988901 S\n0.617903 0.629002 0.664046 S\n0.879002 0.367903 0.164046 S\n0.703857 0.867903 0.488901 S\n0.464956 0.129002 0.011099 S\n0.964956 0.953857 0.335954 S\n",
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"formula_full": "La32 Sb8 S60",
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{
"id": "mp-754217",
"created_at": "2022-09-04T14:41:27.849703Z",
"structure_string": "Sm2 I2 O2\n1.0\n4.040222 0.000000 0.000000\n0.000000 4.040222 0.000000\n0.000000 0.000000 9.425861\nSm I O\n2 2 2\ndirect\n0.000000 0.500000 0.121720 Sm\n0.500000 0.000000 0.878280 Sm\n0.000000 0.500000 0.673765 I\n0.500000 0.000000 0.326235 I\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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},
{
"id": "mp-1018745",
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"structure_string": "La2 Sb2 Pd2\n1.0\n2.327066 -4.030597 0.000000\n2.327066 4.030597 0.000000\n0.000000 0.000000 8.202142\nLa Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
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{
"id": "mp-10838",
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"structure_string": "Na2 Yb2 P4 S12\n1.0\n7.322367 0.000000 0.000000\n0.259864 7.340254 0.000000\n2.516044 0.379522 9.542295\nNa Yb P S\n2 2 4 12\ndirect\n0.523887 0.372506 0.329649 Na\n0.476113 0.627494 0.670351 Na\n0.950890 0.117002 0.717508 Yb\n0.049110 0.882998 0.282492 Yb\n0.734713 0.030085 0.059939 P\n0.265287 0.969915 0.940061 P\n0.053920 0.605220 0.558952 P\n0.946080 0.394780 0.441048 P\n0.668518 0.003106 0.266190 S\n0.670621 0.255521 0.967536 S\n0.912678 0.516202 0.261436 S\n0.331482 0.996894 0.733810 S\n0.849926 0.808473 0.575504 S\n0.087322 0.483798 0.738564 S\n0.150074 0.191527 0.424496 S\n0.855906 0.827679 0.945153 S\n0.299048 0.696973 0.426692 S\n0.700952 0.303027 0.573308 S\n0.144094 0.172321 0.054847 S\n0.329379 0.744479 0.032464 S\n",
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{
"id": "mp-1192592",
"created_at": "2022-09-04T14:43:35.659263Z",
"structure_string": "Ce6 Mg23 Sb1\n1.0\n0.000000 7.272668 7.272668\n7.272668 0.000000 7.272668\n7.272668 7.272668 0.000000\nCe Mg Sb\n6 23 1\ndirect\n0.783534 0.783534 0.216466 Ce\n0.216466 0.783534 0.216466 Ce\n0.783534 0.216466 0.216466 Ce\n0.216466 0.216466 0.783534 Ce\n0.783534 0.216466 0.783534 Ce\n0.216466 0.783534 0.783534 Ce\n0.828723 0.828723 0.513831 Mg\n0.828723 0.513831 0.828723 Mg\n0.513831 0.828723 0.828723 Mg\n0.828723 0.828723 0.828723 Mg\n0.171277 0.171277 0.486169 Mg\n0.171277 0.486169 0.171277 Mg\n0.486169 0.171277 0.171277 Mg\n0.171277 0.171277 0.171277 Mg\n0.621498 0.621498 0.135507 Mg\n0.621498 0.135507 0.621498 Mg\n0.135507 0.621498 0.621498 Mg\n0.621498 0.621498 0.621498 Mg\n0.378502 0.378502 0.864493 Mg\n0.378502 0.864493 0.378502 Mg\n0.864493 0.378502 0.378502 Mg\n0.378502 0.378502 0.378502 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 30,
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"elements": [
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"density": 3.283987487682288,
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"formula_full": "Ce6 Mg23 Sb1",
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{
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"structure_string": "Nd20 Se38\n1.0\n8.349786 0.000000 0.000000\n0.001171 9.513158 0.000000\n0.005129 0.400242 18.725097\nNd Se\n20 38\ndirect\n0.869050 0.324853 0.894351 Nd\n0.878310 0.128068 0.093316 Nd\n0.879972 0.925753 0.295911 Nd\n0.868921 0.729429 0.493518 Nd\n0.131079 0.270571 0.506482 Nd\n0.120028 0.074247 0.704089 Nd\n0.121690 0.871932 0.906684 Nd\n0.130950 0.675147 0.105649 Nd\n0.130225 0.471677 0.305543 Nd\n0.385564 0.142873 0.096111 Nd\n0.368728 0.336457 0.891028 Nd\n0.386758 0.940532 0.299545 Nd\n0.368460 0.729738 0.500407 Nd\n0.378755 0.537241 0.696609 Nd\n0.631540 0.270262 0.499593 Nd\n0.613242 0.059468 0.700455 Nd\n0.614436 0.857127 0.903889 Nd\n0.631272 0.663543 0.108972 Nd\n0.621245 0.462759 0.303391 Nd\n0.869775 0.528323 0.694457 Nd\n0.875102 0.849615 0.649145 Se\n0.876110 0.646904 0.851020 Se\n0.898154 0.446423 0.055431 Se\n0.868978 0.244084 0.621911 Se\n0.874798 0.037266 0.821628 Se\n0.898625 0.055910 0.445520 Se\n0.879786 0.638704 0.226001 Se\n0.880158 0.445158 0.420765 Se\n0.123890 0.353096 0.148980 Se\n0.127805 0.158870 0.975768 Se\n0.101846 0.553577 0.944569 Se\n0.125202 0.962734 0.178372 Se\n0.124898 0.150385 0.350855 Se\n0.131022 0.755916 0.378089 Se\n0.119842 0.554842 0.579235 Se\n0.101375 0.944090 0.554480 Se\n0.120214 0.361296 0.773999 Se\n0.340287 0.658688 0.842373 Se\n0.374568 0.247293 0.623373 Se\n0.338008 0.842575 0.657969 Se\n0.387509 0.459997 0.039784 Se\n0.369095 0.042709 0.822283 Se\n0.359253 0.252351 0.250292 Se\n0.374887 0.848968 0.026016 Se\n0.388308 0.039820 0.459601 Se\n0.376573 0.649309 0.224498 Se\n0.375675 0.444115 0.424504 Se\n0.640747 0.747649 0.749708 Se\n0.625113 0.151032 0.973984 Se\n0.612491 0.540003 0.960216 Se\n0.630905 0.957291 0.177717 Se\n0.659713 0.341312 0.157627 Se\n0.661992 0.157425 0.342031 Se\n0.611692 0.960180 0.540399 Se\n0.625432 0.752707 0.376627 Se\n0.624325 0.555885 0.575496 Se\n0.623427 0.350691 0.775502 Se\n0.872195 0.841130 0.024232 Se\n",
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{
"id": "mp-1094571",
"created_at": "2022-09-04T14:48:30.896350Z",
"structure_string": "Mg1 Sb1\n1.0\n4.168339 -1.919538 0.000000\n4.168339 1.919538 0.000000\n3.284384 0.000000 3.205074\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
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}