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{
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"results": [
{
"id": "mp-1211187",
"created_at": "2022-09-04T14:45:19.434013Z",
"structure_string": "Li15 Os3 O18\n1.0\n2.551182 -4.418777 0.000000\n2.551182 4.418777 0.000000\n0.000000 0.000000 14.309229\nLi Os O\n15 3 18\ndirect\n0.555241 0.777621 0.000000 Li\n0.222379 0.777621 0.333333 Li\n0.222379 0.444759 0.666667 Li\n0.888875 0.444437 0.500000 Li\n0.555563 0.444437 0.833333 Li\n0.555563 0.111125 0.166667 Li\n0.531314 0.765657 0.500000 Li\n0.234343 0.765657 0.833333 Li\n0.234343 0.468686 0.166667 Li\n0.889092 0.444546 0.000000 Li\n0.555454 0.444546 0.333333 Li\n0.555454 0.110908 0.666667 Li\n0.247038 0.123519 0.500000 Li\n0.876481 0.123519 0.833333 Li\n0.876481 0.752962 0.166667 Li\n0.219814 0.109907 0.000000 Os\n0.890093 0.109907 0.333333 Os\n0.890093 0.780186 0.666667 Os\n0.223258 0.418805 0.922050 O\n0.581195 0.804453 0.255384 O\n0.223258 0.804453 0.077950 O\n0.195547 0.776742 0.588717 O\n0.581195 0.776742 0.744616 O\n0.195547 0.418805 0.411283 O\n0.918062 0.111825 0.076756 O\n0.888175 0.806237 0.410089 O\n0.918062 0.806237 0.923244 O\n0.193763 0.081938 0.743422 O\n0.888175 0.081938 0.589911 O\n0.193763 0.111825 0.256578 O\n0.528824 0.111427 0.922350 O\n0.888573 0.417396 0.255683 O\n0.528824 0.417396 0.077650 O\n0.582604 0.471176 0.589017 O\n0.888573 0.471176 0.744317 O\n0.582604 0.111427 0.410983 O\n",
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"updated_at": "2021-11-28T01:36:55.639000Z",
"spacegroup": 151
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{
"id": "mp-560443",
"created_at": "2022-09-04T14:45:18.550704Z",
"structure_string": "Ag4 Hg8 N4 O20\n1.0\n6.506371 0.000000 0.000000\n0.000000 6.795196 0.000000\n0.000000 0.000000 13.006129\nAg Hg N O\n4 8 4 20\ndirect\n0.758348 0.750000 0.153053 Ag\n0.741652 0.250000 0.653053 Ag\n0.241652 0.250000 0.846947 Ag\n0.258348 0.750000 0.346947 Ag\n0.797357 0.999998 0.902216 Hg\n0.202643 0.000002 0.097784 Hg\n0.702643 0.000002 0.402216 Hg\n0.297357 0.999998 0.597784 Hg\n0.702643 0.499998 0.402216 Hg\n0.202643 0.499998 0.097784 Hg\n0.297357 0.500002 0.597784 Hg\n0.797357 0.500002 0.902216 Hg\n0.196061 0.250000 0.354865 N\n0.803939 0.750000 0.645135 N\n0.696061 0.250000 0.145135 N\n0.303939 0.750000 0.854865 N\n0.315255 0.250000 0.278634 O\n0.115630 0.250000 0.018514 O\n0.615630 0.250000 0.481486 O\n0.684745 0.750000 0.721366 O\n0.799898 0.750000 0.327039 O\n0.884370 0.750000 0.981486 O\n0.184745 0.750000 0.778634 O\n0.634802 0.088938 0.105084 O\n0.299898 0.750000 0.172961 O\n0.365198 0.911062 0.894916 O\n0.815255 0.250000 0.221366 O\n0.700102 0.250000 0.827039 O\n0.365198 0.588938 0.894916 O\n0.384370 0.750000 0.518514 O\n0.200102 0.250000 0.672961 O\n0.134802 0.411062 0.394916 O\n0.134802 0.088938 0.394916 O\n0.865198 0.588938 0.605084 O\n0.634802 0.411062 0.105084 O\n0.865198 0.911062 0.605084 O\n",
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"density_atomic": 0.06260566485510222,
"volume": 575.0278362720093,
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"formula_full": "Ag4 Hg8 N4 O20",
"formula_reduced": "AgHg2NO5",
"formula_anonymous": "ABC2D5",
"energy": -170.67673515,
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"spacegroup": 62
},
{
"id": "mp-1174825",
"created_at": "2022-09-04T14:45:18.551823Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.445395 7.664864 0.000000\n-1.445395 7.664864 0.000000\n0.000000 6.258607 11.406721\nLi Mn Co O\n8 2 4 14\ndirect\n0.648119 0.648119 0.781186 Li\n0.925083 0.925083 0.362823 Li\n0.224255 0.224255 0.914520 Li\n0.067905 0.067905 0.641538 Li\n0.357849 0.357849 0.218881 Li\n0.498606 0.498606 0.513297 Li\n0.784039 0.784039 0.064763 Li\n0.853553 0.853553 0.714550 Li\n0.997023 0.997023 0.000023 Mn\n0.287023 0.287023 0.577760 Mn\n0.575049 0.575049 0.141402 Co\n0.143578 0.143578 0.288406 Co\n0.426310 0.426310 0.838487 Co\n0.712471 0.712471 0.431571 Co\n0.593526 0.593526 0.968956 O\n0.882578 0.882578 0.538096 O\n0.171134 0.171134 0.107555 O\n0.022246 0.022246 0.842199 O\n0.315642 0.315642 0.403086 O\n0.466860 0.466860 0.685665 O\n0.738287 0.738287 0.258929 O\n0.691674 0.691674 0.600808 O\n0.973825 0.973825 0.166305 O\n0.252172 0.252172 0.733787 O\n0.111521 0.111521 0.464182 O\n0.402459 0.402459 0.038269 O\n0.550424 0.550424 0.310881 O\n0.826792 0.826792 0.892078 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"updated_at": "2021-11-28T01:37:07.009000Z",
"spacegroup": 8
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{
"id": "mp-568439",
"created_at": "2022-09-04T14:45:18.553250Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n7.534228 -2.278746 0.000000\n7.534228 2.278746 0.000000\n6.845016 0.000000 3.886263\nK Na B H\n1 1 2 8\ndirect\n0.352514 0.352514 0.352514 K\n0.856466 0.856466 0.856466 Na\n0.592127 0.592127 0.592127 B\n0.103746 0.103746 0.103746 B\n0.857194 0.365576 0.141518 H\n0.537082 0.537082 0.537082 H\n0.141518 0.857194 0.365576 H\n0.318040 0.756364 0.758380 H\n0.365576 0.141518 0.857194 H\n0.048373 0.048373 0.048373 H\n0.758380 0.318040 0.756364 H\n0.756364 0.758380 0.318040 H\n",
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"elements": [
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"B",
"H"
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"density_atomic": 0.08992581542874267,
"volume": 133.44332706672884,
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"formula_full": "K1 Na1 B2 H8",
"formula_reduced": "KNa(BH4)2",
"formula_anonymous": "ABC2D8",
"energy": -48.50766383999999,
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"updated_at": "2021-11-28T01:37:03.113000Z",
"spacegroup": 146
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{
"id": "mp-17775",
"created_at": "2022-09-04T14:45:18.555636Z",
"structure_string": "Co4 Si2 P8 O28\n1.0\n2.512039 8.552602 0.000000\n-2.512039 8.552602 0.000000\n0.000000 2.808280 12.101507\nCo Si P O\n4 2 8 28\ndirect\n0.904437 0.602170 0.129913 Co\n0.397830 0.095563 0.370087 Co\n0.095563 0.397830 0.870087 Co\n0.602170 0.904437 0.629913 Co\n0.849342 0.150658 0.250000 Si\n0.150658 0.849342 0.750000 Si\n0.302328 0.969037 0.084609 P\n0.030963 0.697672 0.415391 P\n0.513265 0.234787 0.135542 P\n0.765213 0.486735 0.364458 P\n0.486735 0.765213 0.864458 P\n0.234787 0.513265 0.635542 P\n0.697672 0.030963 0.915391 P\n0.969037 0.302328 0.584609 P\n0.898062 0.976331 0.831852 O\n0.023669 0.101938 0.668148 O\n0.101938 0.023669 0.168148 O\n0.976331 0.898062 0.331852 O\n0.832112 0.762744 0.953493 O\n0.237256 0.167888 0.546507 O\n0.167888 0.237256 0.046507 O\n0.762744 0.832112 0.453493 O\n0.582183 0.729213 0.131053 O\n0.270787 0.417817 0.368947 O\n0.417817 0.270787 0.868947 O\n0.729213 0.582183 0.631053 O\n0.686863 0.125042 0.017442 O\n0.874958 0.313137 0.482558 O\n0.296792 0.611538 0.678677 O\n0.388462 0.703208 0.821323 O\n0.703208 0.388462 0.321323 O\n0.611538 0.296792 0.178677 O\n0.504580 0.207409 0.620908 O\n0.792591 0.495420 0.879092 O\n0.495420 0.792591 0.379092 O\n0.207409 0.504580 0.120908 O\n0.382545 0.003247 0.795532 O\n0.996753 0.617455 0.704468 O\n0.617455 0.996753 0.204468 O\n0.003247 0.382545 0.295532 O\n0.125042 0.686863 0.517442 O\n0.313137 0.874958 0.982558 O\n",
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"formula_full": "Co4 Si2 P8 O28",
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"spacegroup": 15
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{
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"structure_string": "V6 O2 F22\n1.0\n5.269611 0.000000 0.000000\n-0.006564 5.452810 0.000000\n-0.006737 -2.646409 14.521097\nV O F\n6 2 22\ndirect\n0.990045 0.000851 0.993840 V\n0.491829 0.844593 0.665614 V\n0.999773 0.666406 0.332938 V\n0.495075 0.502511 0.001280 V\n0.975318 0.373984 0.669628 V\n0.499656 0.166154 0.332694 V\n0.919246 0.954479 0.885462 O\n0.794648 0.625165 0.689084 O\n0.801523 0.976260 0.358034 F\n0.707603 0.806670 0.026256 F\n0.301938 0.855374 0.308546 F\n0.587872 0.784328 0.549026 F\n0.912338 0.623910 0.215553 F\n0.423826 0.871317 0.784671 F\n0.085669 0.706285 0.450648 F\n0.417927 0.543690 0.118781 F\n0.698137 0.476552 0.357807 F\n0.797069 0.302591 0.026186 F\n0.201545 0.696278 0.975084 F\n0.286316 0.530063 0.642531 F\n0.198505 0.356353 0.308400 F\n0.589256 0.457122 0.884434 F\n0.927452 0.272737 0.550285 F\n0.587328 0.124028 0.215517 F\n0.093047 0.365753 0.781780 F\n0.415619 0.208562 0.450590 F\n0.091806 0.040131 0.115141 F\n0.710046 0.143429 0.691482 F\n0.292617 0.195847 0.975642 F\n0.206971 0.028579 0.643065 F\n",
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{
"id": "mp-774932",
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"structure_string": "Li2 Fe1 W1 O6\n1.0\n0.004437 2.866772 -4.204682\n-5.422882 -0.008266 -0.000108\n-2.402113 4.517256 0.041831\nLi Fe W O\n2 1 1 6\ndirect\n0.290096 0.874633 0.419461 Li\n0.789631 0.367955 0.421608 Li\n0.005509 0.010731 0.990108 Fe\n0.504445 0.510088 0.992852 W\n0.125700 0.222625 0.148735 O\n0.729132 0.227164 0.899147 O\n0.372544 0.229909 0.493422 O\n0.612524 0.716389 0.521312 O\n0.236915 0.724624 0.143959 O\n0.869101 0.722678 0.898198 O\n",
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{
"id": "mp-765577",
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"structure_string": "Li6 Cr5 Cu1 O12\n1.0\n2.537472 4.413507 -0.195025\n-2.537472 4.413508 0.194998\n-0.733360 -0.000034 9.972563\nLi Cr Cu O\n6 5 1 12\ndirect\n0.114344 0.885633 0.251288 Li\n0.220704 0.448234 0.742188 Li\n0.551730 0.779323 0.742154 Li\n0.448224 0.220704 0.257802 Li\n0.779309 0.551730 0.257828 Li\n0.885642 0.114345 0.748708 Li\n0.833412 0.833428 0.500008 Cr\n0.499991 0.499982 0.500017 Cr\n0.166559 0.166563 0.500005 Cr\n0.666717 0.666703 0.000004 Cr\n0.333304 0.333332 0.999994 Cr\n0.000087 0.000079 0.999986 Cu\n0.198526 0.801459 0.610474 O\n0.698423 0.964459 0.111844 O\n0.035558 0.301587 0.111859 O\n0.134995 0.531476 0.389319 O\n0.468501 0.864991 0.389317 O\n0.377458 0.622529 0.113839 O\n0.622533 0.377449 0.886151 O\n0.531467 0.134993 0.610702 O\n0.864999 0.468511 0.610706 O\n0.964462 0.698419 0.888145 O\n0.301601 0.035548 0.888126 O\n0.801457 0.198522 0.389534 O\n",
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{
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{
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{
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"structure_string": "Ba2 Tb2 Cu2 B2 O10\n1.0\n5.488984 0.000000 0.000000\n0.000000 5.488984 0.000000\n0.000000 0.000000 7.539017\nBa Tb Cu B O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.007433 Ba\n0.500000 0.500000 0.007433 Ba\n0.000000 0.000000 0.513770 Tb\n0.500000 0.500000 0.513770 Tb\n0.500000 0.000000 0.728477 Cu\n0.000000 0.500000 0.728477 Cu\n0.500000 0.000000 0.255986 B\n0.000000 0.500000 0.255986 B\n0.157740 0.657740 0.343803 O\n0.842260 0.342260 0.343803 O\n0.342260 0.157740 0.343803 O\n0.657740 0.842260 0.343803 O\n0.500000 0.000000 0.070287 O\n0.000000 0.500000 0.070287 O\n0.252509 0.752509 0.709721 O\n0.747491 0.247491 0.709721 O\n0.247491 0.252509 0.709721 O\n0.752509 0.747491 0.709721 O\n",
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{
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"created_at": "2022-09-04T14:45:18.591974Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.460984 0.000000 0.000000\n-2.658195 6.953998 0.000000\n-0.314774 -1.643651 14.460060\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.261638 0.865308 0.693767 Li\n0.067600 0.466780 0.641690 Li\n0.404095 0.796963 0.974079 Li\n0.601055 0.203476 0.024834 Li\n0.931527 0.532679 0.359394 Li\n0.735184 0.133429 0.306887 Li\n0.335511 0.335410 0.834783 Mn\n0.333172 0.333643 0.333378 Mn\n0.668108 0.667989 0.666369 Mn\n0.662393 0.663872 0.165850 V\n0.999909 0.000073 0.500150 V\n0.000601 0.999090 0.999215 V\n0.013518 0.379997 0.148538 P\n0.311291 0.951779 0.184408 P\n0.349363 0.715660 0.481840 P\n0.651049 0.284967 0.517981 P\n0.683393 0.047549 0.814134 P\n0.988613 0.619174 0.852580 P\n0.052894 0.989748 0.326632 H\n0.284656 0.347029 0.007946 H\n0.388273 0.325418 0.658687 H\n0.615034 0.677060 0.341030 H\n0.715175 0.652559 0.991778 H\n0.946406 0.010313 0.674506 H\n0.090749 0.830371 0.901104 O\n0.039048 0.837759 0.218548 O\n0.141079 0.798436 0.448661 O\n0.204641 0.540732 0.884585 O\n0.296479 0.955815 0.077338 O\n0.020185 0.375369 0.254214 O\n0.355595 0.712741 0.587526 O\n0.248038 0.504903 0.432629 O\n0.050931 0.100489 0.370264 O\n0.287770 0.494471 0.115074 O\n0.285756 0.237866 0.962917 O\n0.577552 0.836194 0.765860 O\n0.522428 0.869485 0.213978 O\n0.388019 0.435372 0.703447 O\n0.624956 0.828583 0.448379 O\n0.375483 0.171368 0.551113 O\n0.615100 0.566486 0.296775 O\n0.464991 0.126592 0.787286 O\n0.416253 0.162450 0.232876 O\n0.719514 0.762073 0.037780 O\n0.720604 0.507378 0.889014 O\n0.948589 0.899979 0.630095 O\n0.752196 0.495603 0.567044 O\n0.644925 0.288374 0.412070 O\n0.977908 0.623256 0.746885 O\n0.704813 0.042371 0.921300 O\n0.803744 0.461654 0.115917 O\n0.858983 0.201935 0.550973 O\n0.949379 0.161043 0.777354 O\n0.913839 0.170887 0.098544 O\n",
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}