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"results": [
{
"id": "jvasp-103953",
"created_at": "2022-09-04T14:36:55.141387Z",
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"structure_string": "Hf1 H10 C7 O4\n1.0\n4.506718 0.087208 -0.395826\n1.638008 4.649790 0.093969\n-1.000897 0.186846 9.135966\nHf H C O\n1 10 7 4\ndirect\n0.675907 0.163472 0.806399 Hf\n-0.282217 0.914736 0.339345 H\n0.170295 0.773776 0.528895 H\n0.243150 0.403063 0.502365 H\n0.614209 0.565093 0.164756 H\n0.552293 0.695401 0.420783 H\n0.088409 0.684966 0.149428 H\n0.321669 0.432635 0.297960 H\n0.337011 0.785027 0.856961 H\n0.517030 0.172703 0.114583 H\n0.848851 0.269041 0.298131 H\n-0.022315 0.566276 0.667919 C\n0.055992 0.609275 0.517079 C\n0.122067 0.121582 -0.015295 C\n0.769257 0.691882 0.383342 C\n0.824332 0.487719 0.256932 C\n0.124441 0.469371 0.200993 C\n0.253246 0.243278 0.097960 C\n0.881973 0.328390 0.674946 O\n0.271805 0.513027 0.779147 O\n0.741211 0.812942 0.701438 O\n0.383073 0.950619 0.910412 O\n",
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{
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"structure_string": "Li1 Ga1 O2\n1.0\n2.982214 -0.000000 0.000000\n0.000000 2.982214 0.000000\n0.000000 -0.000000 3.844993\nLi Ga O\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 0.500000 O\n",
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{
"id": "jvasp-49685",
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"updated_at": "2022-09-04T14:37:12.132274Z",
"structure_string": "Al4 Co4 O12\n1.0\n4.722230 0.000000 0.000000\n0.000000 4.918390 0.000000\n0.000000 0.000000 7.361061\nAl Co O\n4 4 12\ndirect\n0.031540 0.930252 0.750000 Al\n0.531540 0.569748 0.250000 Al\n0.468460 0.430252 0.750000 Al\n0.968460 0.069748 0.250000 Al\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.656687 0.084827 0.750000 O\n0.156687 0.415173 0.250000 O\n0.685538 0.310812 0.087022 O\n0.185538 0.189188 0.912978 O\n0.814462 0.810812 0.412978 O\n0.185538 0.189188 0.587022 O\n0.314462 0.689188 0.912978 O\n0.814462 0.810812 0.087022 O\n0.343313 0.915173 0.250000 O\n0.685538 0.310812 0.412978 O\n0.314462 0.689188 0.587022 O\n0.843313 0.584827 0.750000 O\n",
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{
"id": "jvasp-101891",
"created_at": "2022-09-04T14:36:39.340718Z",
"updated_at": "2022-09-04T14:36:39.340731Z",
"structure_string": "Ti1 H22 C12 O4\n1.0\n4.773832 0.146807 0.485565\n1.781593 7.101250 2.843916\n-0.108657 -0.275290 9.796747\nTi H C O\n1 22 12 4\ndirect\n0.292340 0.331282 0.132733 Ti\n0.501047 0.668903 0.622107 H\n0.392133 0.964612 0.152150 H\n0.398052 0.000207 0.324515 H\n0.571184 0.617593 -0.004672 H\n0.218144 0.696188 0.069893 H\n0.304957 0.510329 0.720856 H\n0.719111 0.986153 0.214364 H\n0.357977 0.366966 0.528148 H\n0.701691 0.370732 0.576974 H\n0.662167 0.668377 0.356435 H\n0.247276 0.638910 0.905820 H\n0.264038 0.889807 0.719952 H\n0.339795 0.633250 0.306960 H\n0.850721 0.935464 0.890968 H\n0.654010 0.134852 0.755394 H\n0.244833 0.090196 0.884459 H\n0.064068 0.288014 0.743494 H\n0.105336 0.838025 0.438461 H\n0.834856 0.747205 0.741262 H\n0.679362 0.937556 0.586841 H\n0.068123 0.086230 0.580209 H\n0.925743 0.662357 0.514943 H\n0.027124 0.172213 0.838295 C\n0.042854 0.971353 0.678951 C\n0.875547 0.051975 0.794161 C\n0.061974 0.738036 0.541955 C\n0.888772 0.847645 0.640003 C\n0.548200 0.562903 0.365468 C\n0.859061 0.260167 0.947148 C\n0.346752 0.595125 0.610173 C\n0.725903 0.423161 0.295953 C\n0.480474 0.033322 0.212446 C\n0.349664 0.602208 0.011383 C\n0.492309 0.460751 0.525188 C\n-0.000934 0.410163 0.275482 O\n0.000111 0.325443 0.016661 O\n0.595818 0.268051 0.968012 O\n0.607681 0.315883 0.264818 O\n",
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{
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"structure_string": "U2 B8 H32\n1.0\n3.966353 3.890931 -0.000000\n-3.966353 3.890931 -0.000000\n0.000000 0.000000 11.631742\nU B H\n2 8 32\ndirect\n0.304816 0.304816 0.250000 U\n0.695184 0.695184 0.750000 U\n0.382333 0.809988 0.250000 B\n0.190012 0.617667 0.750000 B\n0.617667 0.190012 0.750000 B\n0.809988 0.382333 0.250000 B\n0.234387 0.234387 0.038942 B\n0.765613 0.765613 0.961058 B\n0.234387 0.234387 0.461058 B\n0.765613 0.765613 0.538942 B\n0.893373 0.893373 0.896654 H\n0.106627 0.106627 0.396654 H\n0.893373 0.893373 0.603346 H\n0.444763 0.192315 0.070396 H\n0.807685 0.555236 0.929604 H\n0.444763 0.192315 0.429604 H\n0.192315 0.444763 0.429604 H\n0.555236 0.807685 0.929604 H\n0.192315 0.444763 0.070396 H\n0.555236 0.807685 0.570396 H\n0.106627 0.106627 0.103346 H\n0.801686 0.801686 0.061107 H\n0.198313 0.198313 0.938893 H\n0.807685 0.555236 0.570396 H\n0.688592 0.394232 0.161878 H\n0.394232 0.688592 0.161878 H\n0.688592 0.394232 0.338122 H\n0.605768 0.311408 0.661878 H\n0.311408 0.605768 0.838121 H\n0.801686 0.801686 0.438893 H\n0.311408 0.605768 0.661878 H\n0.394232 0.688592 0.338122 H\n0.909112 0.184254 0.250000 H\n0.815745 0.090887 0.750000 H\n0.090887 0.815745 0.750000 H\n0.184254 0.909112 0.250000 H\n0.959219 0.550365 0.250000 H\n0.449634 0.040781 0.750000 H\n0.040781 0.449634 0.750000 H\n0.550365 0.959219 0.250000 H\n0.605768 0.311408 0.838121 H\n0.198313 0.198313 0.561107 H\n",
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{
"id": "jvasp-103883",
"created_at": "2022-09-04T14:36:55.635981Z",
"updated_at": "2022-09-04T14:36:55.636004Z",
"structure_string": "Ti1 H18 C10 O4\n1.0\n4.853474 0.105298 0.984339\n0.899336 6.539061 1.421801\n-0.221833 -0.099609 8.851490\nTi H C O\n1 18 10 4\ndirect\n0.252022 0.259730 0.813203 Ti\n0.429357 0.623734 0.126061 H\n0.481583 0.389806 0.253497 H\n0.945114 0.635280 0.087996 H\n0.000754 0.399109 0.210457 H\n0.870743 0.579803 0.675575 H\n0.004979 0.657836 0.360491 H\n0.696383 0.557971 0.434050 H\n0.223581 0.564966 0.577494 H\n0.129581 0.662718 0.758426 H\n0.423501 0.859063 0.280471 H\n-0.019469 0.920204 0.920738 H\n0.507418 0.881756 0.550871 H\n0.439639 0.117678 0.429004 H\n0.205189 0.955016 0.050068 H\n0.953155 0.133569 0.368623 H\n0.024250 0.897301 0.491158 H\n0.353117 0.853983 0.874061 H\n0.731329 0.958176 0.200652 H\n0.585030 0.486609 0.153369 C\n0.848584 0.540187 0.190904 C\n0.800583 0.650215 0.331191 C\n0.631260 0.866924 0.305449 C\n0.594576 0.977998 0.445092 C\n0.636486 0.376074 0.015577 C\n0.844906 0.141034 0.610032 C\n0.090084 0.552870 0.691267 C\n0.181602 0.959788 0.927889 C\n0.864605 0.033815 0.472163 C\n0.877574 0.328120 0.949266 O\n0.066012 0.169952 0.646009 O\n0.602278 0.198079 0.685502 O\n0.418065 0.336635 0.972123 O\n",
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"formula_full": "Ti1 H18 C10 O4",
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{
"id": "jvasp-103968",
"created_at": "2022-09-04T14:36:32.215678Z",
"updated_at": "2022-09-04T14:36:32.215689Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.890062 -0.125520 -0.338017\n-0.786156 4.170664 -0.237144\n-0.012827 0.096139 10.065311\nCd H C O\n1 8 6 4\ndirect\n0.955196 0.634045 0.185836 Cd\n0.847911 0.410677 0.525398 H\n0.428693 0.500329 0.514467 H\n0.657093 0.950421 0.661917 H\n0.710756 0.468095 0.803585 H\n0.511978 0.950201 0.909865 H\n0.076346 0.923686 0.842233 H\n0.211078 0.945031 0.615382 H\n0.272622 0.475029 0.746664 H\n0.251106 0.264796 0.006039 C\n0.321444 0.096011 0.879471 C\n0.452165 0.312615 0.768982 C\n0.456394 0.109099 0.386218 C\n0.566181 0.299413 0.520434 C\n0.470013 0.107235 0.641696 C\n0.001284 0.129102 0.071315 O\n0.204102 0.857916 0.382102 O\n0.601473 0.204228 0.283365 O\n0.427609 0.550011 0.044702 O\n",
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{
"id": "jvasp-95247",
"created_at": "2022-09-04T14:35:56.268489Z",
"updated_at": "2022-09-04T14:35:56.268520Z",
"structure_string": "Li12 H24 Ir4\n1.0\n8.492110 -0.000000 0.000000\n-0.000000 4.752113 0.000000\n0.000000 0.000000 8.472122\nLi H Ir\n12 24 4\ndirect\n0.540714 0.250000 0.869265 Li\n0.770557 0.750000 0.758831 Li\n0.270557 0.750000 0.741168 Li\n0.229443 0.250000 0.241168 Li\n0.602915 0.750000 0.478542 Li\n0.102915 0.750000 0.021458 Li\n0.729443 0.250000 0.258832 Li\n0.897085 0.250000 0.978542 Li\n0.959286 0.750000 0.369265 Li\n0.459286 0.750000 0.130735 Li\n0.040714 0.250000 0.630735 Li\n0.397085 0.250000 0.521458 Li\n0.387476 0.750000 0.559471 H\n0.104712 0.495644 0.820787 H\n0.612524 0.250000 0.440529 H\n0.112524 0.250000 0.059471 H\n0.887476 0.750000 0.940529 H\n0.225673 0.250000 0.896886 H\n0.334239 0.250000 0.733681 H\n0.165761 0.750000 0.233681 H\n0.665761 0.750000 0.266318 H\n0.725673 0.250000 0.603113 H\n0.604712 0.004356 0.679212 H\n0.834239 0.250000 0.766318 H\n0.895288 0.995643 0.179212 H\n0.345901 0.498625 0.971226 H\n0.895288 0.504356 0.179212 H\n0.395288 0.995643 0.320788 H\n0.104712 0.004356 0.820787 H\n0.604712 0.495644 0.679212 H\n0.274327 0.750000 0.396886 H\n0.845901 0.001375 0.528774 H\n0.654099 -0.001375 0.028774 H\n0.154099 0.501375 0.471226 H\n0.654099 0.501375 0.028774 H\n0.154099 -0.001375 0.471226 H\n0.345901 0.001375 0.971226 Ir\n0.845901 0.498625 0.528774 Ir\n0.395288 0.504356 0.320788 Ir\n0.774327 0.750000 0.103113 Ir\n",
"nsites": 40,
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"elements": [
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],
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"volume": 341.896434101351,
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"formula_full": "Li12 H24 Ir4",
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},
{
"id": "jvasp-118997",
"created_at": "2022-09-04T14:38:49.448142Z",
"updated_at": "2022-09-04T14:38:49.448167Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.381279 -0.020856 4.318684\n5.755791 2.755363 4.318684\n-0.080781 -0.018200 11.526611\nLi Mn Co O\n7 4 1 12\ndirect\n0.659366 0.659362 0.763187 Li\n0.024413 0.024413 0.225199 Li\n0.303800 0.303799 0.787120 Li\n0.684274 0.684271 0.224743 Li\n0.990196 0.990191 0.759212 Li\n0.338587 0.338585 0.238922 Li\n0.668242 0.668239 0.006326 Li\n0.004168 0.004168 0.997623 Mn\n-0.002719 -0.002719 0.501303 Mn\n0.329239 0.329237 0.507140 Mn\n0.671651 0.671648 0.493294 Mn\n0.331266 0.331264 -0.001568 Co\n0.491837 0.491835 0.889425 O\n0.825694 0.825690 0.393320 O\n0.148410 0.148410 0.884923 O\n0.485660 0.485658 0.393125 O\n0.833262 0.833258 0.885385 O\n0.176027 0.176026 0.378971 O\n0.826372 0.826367 0.621970 O\n0.180116 0.180116 0.117869 O\n0.515461 0.515459 0.604238 O\n0.844239 0.844234 0.105078 O\n0.173142 0.173142 0.608591 O\n0.497309 0.497306 0.114596 O\n",
"nsites": 24,
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],
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"formula_full": "Li7 Mn4 Co1 O12",
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},
{
"id": "jvasp-51662",
"created_at": "2022-09-04T14:38:30.124703Z",
"updated_at": "2022-09-04T14:38:30.124724Z",
"structure_string": "Al4 O6\n1.0\n2.743414 0.003804 0.234716\n-1.365140 -4.541570 -0.120513\n-0.787832 0.003523 -6.927471\nAl O\n4 6\ndirect\n0.034242 0.989779 0.003909 Al\n0.680212 0.489772 0.295911 Al\n0.190152 0.509506 0.795905 Al\n0.044064 0.009498 0.503904 Al\n0.318882 0.749619 0.399916 O\n0.055860 0.214812 0.242110 O\n0.748413 0.284440 0.557713 O\n0.568941 0.249660 0.899916 O\n0.840762 0.784470 0.742095 O\n0.463658 0.714825 0.057708 O\n",
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"volume": 85.43678903390787,
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"formula_full": "Al4 O6",
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},
{
"id": "jvasp-86723",
"created_at": "2022-09-04T14:35:51.293432Z",
"updated_at": "2022-09-04T14:35:51.293448Z",
"structure_string": "Li4 B4 H8\n1.0\n3.064814 -0.000000 0.000000\n0.000000 5.347049 0.000000\n0.000000 0.000000 8.340582\nLi B H\n4 4 8\ndirect\n0.749999 0.837331 0.772277 Li\n0.749999 0.662669 0.272277 Li\n0.250000 0.337331 0.727723 Li\n0.250000 0.162669 0.227723 Li\n0.250000 0.417664 0.454574 B\n0.250000 0.082336 0.954574 B\n0.749999 0.917664 0.045426 B\n0.749999 0.582336 0.545426 B\n0.749999 0.433215 0.414149 H\n0.749999 0.703960 0.990928 H\n0.250000 0.296040 0.009071 H\n0.250000 0.203960 0.509071 H\n0.250000 0.566785 0.585850 H\n0.749999 0.796041 0.490929 H\n0.250000 0.933215 0.085851 H\n0.749999 0.066785 0.914149 H\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.9606264526447305,
"density_atomic": 0.11705914276301198,
"volume": 136.68304433419817,
"volume_molar": 5.144528328036636,
"formula_full": "Li4 B4 H8",
"formula_reduced": "LiBH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.619360645833334,
"spacegroup": 62
},
{
"id": "jvasp-97563",
"created_at": "2022-09-04T14:36:19.845849Z",
"updated_at": "2022-09-04T14:36:19.845870Z",
"structure_string": "Li12 H24 Ir4\n1.0\n8.490002 -0.000000 0.000000\n-0.000000 4.751497 0.000000\n0.000000 0.000000 8.469586\nLi H Ir\n12 24 4\ndirect\n0.541478 0.250000 0.869924 Li\n0.771424 0.750000 0.758371 Li\n0.271424 0.750000 0.741630 Li\n0.228576 0.250000 0.241629 Li\n0.602642 0.750000 0.478232 Li\n0.102642 0.750000 0.021768 Li\n0.728576 0.250000 0.258371 Li\n0.897358 0.250000 0.978233 Li\n0.958521 0.750000 0.369923 Li\n0.458522 0.750000 0.130077 Li\n0.041478 0.250000 0.630077 Li\n0.397358 0.250000 0.521768 Li\n0.387414 0.750000 0.559347 H\n0.105140 0.495566 0.820801 H\n0.612586 0.250000 0.440654 H\n0.112586 0.250000 0.059347 H\n0.887414 0.750000 0.940654 H\n0.225879 0.250000 0.896994 H\n0.334526 0.250000 0.733940 H\n0.165473 0.750000 0.233940 H\n0.665473 0.750000 0.266060 H\n0.725879 0.250000 0.603007 H\n0.605140 0.004434 0.679200 H\n0.834526 0.250000 0.766061 H\n0.894859 0.995566 0.179199 H\n0.346030 0.498634 0.971173 H\n0.894859 0.504434 0.179199 H\n0.394860 0.995566 0.320801 H\n0.105140 0.004434 0.820801 H\n0.605140 0.495566 0.679200 H\n0.274121 0.750000 0.396994 H\n0.846030 0.001366 0.528828 H\n0.653969 -0.001366 0.028827 H\n0.153970 0.501367 0.471173 H\n0.653969 0.501367 0.028827 H\n0.153970 -0.001366 0.471173 H\n0.346030 0.001366 0.971173 Ir\n0.846030 0.498634 0.528828 Ir\n0.394860 0.504434 0.320801 Ir\n0.774121 0.750000 0.103007 Ir\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Li",
"H",
"Ir"
],
"chemical_system": "H-Ir-Li",
"density": 4.259185270107273,
"density_atomic": 0.11707375746239498,
"volume": 341.6649543587795,
"volume_molar": 5.143886119768864,
"formula_full": "Li12 H24 Ir4",
"formula_reduced": "Li3H6Ir",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.60230811,
"spacegroup": 1
}
]
}