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{
"id": "mp-568220",
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"structure_string": "Nb24 Te96\n1.0\n13.251043 0.000000 0.000000\n0.000000 13.251043 0.000000\n0.000000 0.000000 20.981750\nNb Te\n24 96\ndirect\n0.000000 0.500000 0.929898 Nb\n0.000000 0.000000 0.250000 Nb\n0.500000 0.500000 0.402932 Nb\n0.000000 0.500000 0.236059 Nb\n0.500000 0.000000 0.418280 Nb\n0.500000 0.000000 0.263941 Nb\n0.500000 0.500000 0.902932 Nb\n0.000000 0.500000 0.581720 Nb\n0.000000 0.000000 0.402932 Nb\n0.000000 0.000000 0.902932 Nb\n0.500000 0.000000 0.070102 Nb\n0.500000 0.000000 0.570102 Nb\n0.500000 0.500000 0.597068 Nb\n0.000000 0.500000 0.429898 Nb\n0.500000 0.000000 0.763941 Nb\n0.500000 0.500000 0.250000 Nb\n0.500000 0.500000 0.750000 Nb\n0.000000 0.000000 0.597068 Nb\n0.000000 0.500000 0.081720 Nb\n0.500000 0.000000 0.918280 Nb\n0.000000 0.000000 0.750000 Nb\n0.500000 0.500000 0.097068 Nb\n0.000000 0.000000 0.097068 Nb\n0.000000 0.500000 0.736059 Nb\n0.437815 0.152994 0.167669 Te\n0.059320 0.844681 0.500468 Te\n0.344681 0.440680 0.500468 Te\n0.844681 0.059320 0.999532 Te\n0.576275 0.336379 0.830140 Te\n0.152994 0.562185 0.832331 Te\n0.923725 0.836379 0.669860 Te\n0.078183 0.337218 0.502884 Te\n0.423725 0.336379 0.330140 Te\n0.573417 0.336164 0.169195 Te\n0.655319 0.559320 0.500468 Te\n0.652994 0.062185 0.167669 Te\n0.423725 0.663621 0.830140 Te\n0.437815 0.847006 0.667669 Te\n0.078183 0.662782 0.002884 Te\n0.336164 0.573417 0.330805 Te\n0.836164 0.073417 0.669195 Te\n0.059320 0.155319 0.000468 Te\n0.067868 0.666854 0.663515 Te\n0.333146 0.932132 0.836485 Te\n0.152994 0.437815 0.332331 Te\n0.663621 0.576275 0.169860 Te\n0.347006 0.062185 0.667669 Te\n0.837218 0.578183 0.002884 Te\n0.562185 0.152994 0.667669 Te\n0.073417 0.836164 0.830805 Te\n0.062185 0.347006 0.832331 Te\n0.347006 0.937815 0.167669 Te\n0.336379 0.423725 0.169860 Te\n0.836379 0.076275 0.330140 Te\n0.421817 0.837218 0.997116 Te\n0.937815 0.652994 0.832331 Te\n0.663836 0.426583 0.330805 Te\n0.440680 0.655319 0.499532 Te\n0.926583 0.163836 0.830805 Te\n0.432132 0.166854 0.836485 Te\n0.166854 0.432132 0.663515 Te\n0.163836 0.926583 0.669195 Te\n0.163621 0.076275 0.830140 Te\n0.062185 0.652994 0.332331 Te\n0.844681 0.940680 0.499532 Te\n0.937815 0.347006 0.332331 Te\n0.923725 0.163621 0.169860 Te\n0.847006 0.437815 0.832331 Te\n0.336164 0.426583 0.830805 Te\n0.940680 0.155319 0.500468 Te\n0.067868 0.333146 0.163515 Te\n0.836379 0.923725 0.830140 Te\n0.155319 0.940680 0.999532 Te\n0.163621 0.923725 0.330140 Te\n0.426583 0.336164 0.669195 Te\n0.432132 0.833146 0.336485 Te\n0.336379 0.576275 0.669860 Te\n0.440680 0.344681 0.999532 Te\n0.652994 0.937815 0.667669 Te\n0.333146 0.067868 0.336485 Te\n0.833146 0.567868 0.663515 Te\n0.662782 0.078183 0.497116 Te\n0.337218 0.921817 0.497116 Te\n0.567868 0.833146 0.836485 Te\n0.662782 0.921817 0.997116 Te\n0.663836 0.573417 0.830805 Te\n0.162782 0.578183 0.502884 Te\n0.166854 0.567868 0.163515 Te\n0.666854 0.932132 0.336485 Te\n0.847006 0.562185 0.332331 Te\n0.663621 0.423725 0.669860 Te\n0.921817 0.662782 0.502884 Te\n0.567868 0.166854 0.336485 Te\n0.576275 0.663621 0.330140 Te\n0.578183 0.837218 0.497116 Te\n0.932132 0.333146 0.663515 Te\n0.559320 0.344681 0.499532 Te\n0.559320 0.655319 0.999532 Te\n0.833146 0.432132 0.163515 Te\n0.836164 0.926583 0.169195 Te\n0.421817 0.162782 0.497116 Te\n0.573417 0.663836 0.669195 Te\n0.666854 0.067868 0.836485 Te\n0.076275 0.163621 0.669860 Te\n0.155319 0.059320 0.499532 Te\n0.426583 0.663836 0.169195 Te\n0.562185 0.847006 0.167669 Te\n0.926583 0.836164 0.330805 Te\n0.932132 0.666854 0.163515 Te\n0.655319 0.440680 0.000468 Te\n0.162782 0.421817 0.002884 Te\n0.073417 0.163836 0.330805 Te\n0.837218 0.421817 0.502884 Te\n0.578183 0.162782 0.997116 Te\n0.337218 0.078183 0.997116 Te\n0.940680 0.844681 0.000468 Te\n0.076275 0.836379 0.169860 Te\n0.163836 0.073417 0.169195 Te\n0.344681 0.559320 0.000468 Te\n0.921817 0.337218 0.002884 Te\n",
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"elements": [
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"formula_full": "Nb24 Te96",
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"spacegroup": 130
},
{
"id": "mp-626504",
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"structure_string": "Al2 H6 O6\n1.0\n4.859768 0.000000 0.000000\n0.049302 5.041942 0.000000\n0.070911 2.466643 4.501402\nAl H O\n2 6 6\ndirect\n0.986917 0.348354 0.332220 Al\n0.987793 0.680513 0.675937 Al\n0.587065 0.604870 0.415089 H\n0.723222 0.206099 0.006591 H\n0.589260 0.009568 0.577007 H\n0.283025 0.213728 0.774481 H\n0.395022 0.568308 0.002301 H\n0.179070 0.965912 0.203732 H\n0.784094 0.644772 0.378522 O\n0.766992 0.395053 0.005405 O\n0.777777 0.018067 0.635240 O\n0.212821 0.397236 0.609005 O\n0.206494 0.644284 0.998844 O\n0.203255 0.007968 0.368912 O\n",
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"formula_full": "Al2 H6 O6",
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},
{
"id": "mp-1182360",
"created_at": "2022-09-04T14:47:58.855239Z",
"structure_string": "Ba2 H8 O12\n1.0\n3.182196 4.263690 0.000000\n-3.182196 4.263690 0.000000\n0.000000 1.113767 8.345479\nBa H O\n2 8 12\ndirect\n0.204857 0.795143 0.750000 Ba\n0.795143 0.204857 0.250000 Ba\n0.730497 0.673536 0.546267 H\n0.326464 0.269503 0.953733 H\n0.269503 0.326464 0.453733 H\n0.673536 0.730497 0.046267 H\n0.633793 0.185469 0.626738 H\n0.185469 0.633793 0.126738 H\n0.814531 0.366207 0.873262 H\n0.366207 0.814531 0.373262 H\n0.811950 0.835493 0.542475 O\n0.164507 0.188050 0.957525 O\n0.188050 0.164507 0.457525 O\n0.835493 0.811950 0.042475 O\n0.663640 0.987495 0.677177 O\n0.012505 0.336360 0.822823 O\n0.336360 0.012505 0.322823 O\n0.987495 0.663640 0.177177 O\n0.609260 0.454228 0.554556 O\n0.545772 0.390740 0.945444 O\n0.390740 0.545772 0.445444 O\n0.454228 0.609260 0.054556 O\n",
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{
"id": "mp-1208470",
"created_at": "2022-09-04T14:47:58.604471Z",
"structure_string": "Tb10 In20 Pd10\n1.0\n-6.953937 6.953937 4.623840\n6.953937 -6.953937 4.623840\n6.953937 6.953937 -4.623840\nTb In Pd\n10 20 10\ndirect\n0.529049 0.529049 0.000000 Tb\n0.999907 0.999907 0.000000 Tb\n0.881668 0.601014 0.280655 Tb\n0.320359 0.601014 0.719345 Tb\n0.601014 0.320359 0.719345 Tb\n0.601014 0.881668 0.280655 Tb\n0.910947 0.316071 0.000000 Tb\n0.316071 0.910947 0.000000 Tb\n0.316071 0.316071 0.405124 Tb\n0.910947 0.910947 0.594876 Tb\n0.004920 0.511901 0.790612 In\n0.721289 0.214308 0.209388 In\n0.511901 0.721289 0.506981 In\n0.004920 0.214308 0.493019 In\n0.214308 0.004920 0.493019 In\n0.721289 0.511901 0.506981 In\n0.511901 0.004920 0.790612 In\n0.214308 0.721289 0.209388 In\n0.435618 0.271207 0.164411 In\n0.106795 0.271207 0.835589 In\n0.271207 0.106795 0.835589 In\n0.271207 0.435618 0.164411 In\n0.898366 0.634274 0.000000 In\n0.634274 0.898366 0.000000 In\n0.634274 0.634274 0.735908 In\n0.898366 0.898366 0.264092 In\n0.505822 0.123359 0.382463 In\n0.740896 0.123359 0.617537 In\n0.123359 0.740896 0.617537 In\n0.123359 0.505822 0.382463 In\n0.176355 0.962391 0.213965 Pd\n0.748426 0.962391 0.786035 Pd\n0.962391 0.748426 0.786035 Pd\n0.962391 0.176355 0.213965 Pd\n0.295126 0.615953 0.000000 Pd\n0.615953 0.295126 0.000000 Pd\n0.615953 0.615953 0.320827 Pd\n0.295126 0.295126 0.679173 Pd\n0.872627 0.372627 0.500000 Pd\n0.372627 0.872627 0.500000 Pd\n",
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{
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"structure_string": "Cu8 H24 C16 N8 O32\n1.0\n8.664121 0.000000 0.000000\n0.000000 9.670386 0.000000\n0.000000 0.000000 11.256679\nCu H C N O\n8 24 16 8 32\ndirect\n0.886798 0.760330 0.073580 Cu\n0.113202 0.739670 0.573580 Cu\n0.386798 0.739670 0.073580 Cu\n0.613202 0.760330 0.573580 Cu\n0.386798 0.239670 0.426420 Cu\n0.886798 0.260330 0.426420 Cu\n0.613202 0.260330 0.926420 Cu\n0.113202 0.239670 0.926420 Cu\n0.750896 0.109157 0.272825 H\n0.224727 0.726975 0.259857 H\n0.249104 0.890843 0.727175 H\n0.109652 0.303661 0.705699 H\n0.890348 0.196339 0.205699 H\n0.609652 0.196339 0.705699 H\n0.390348 0.803661 0.294301 H\n0.390348 0.303661 0.205699 H\n0.775273 0.273025 0.740143 H\n0.275273 0.726975 0.759857 H\n0.250896 0.390843 0.272825 H\n0.224727 0.226975 0.240143 H\n0.890348 0.696339 0.294301 H\n0.109652 0.803661 0.794301 H\n0.724727 0.773025 0.259857 H\n0.275273 0.226975 0.740143 H\n0.775273 0.773025 0.759857 H\n0.249104 0.390843 0.772825 H\n0.250896 0.890843 0.227175 H\n0.724727 0.273025 0.240143 H\n0.609652 0.696339 0.794301 H\n0.750896 0.609157 0.227175 H\n0.749104 0.109157 0.772825 H\n0.749104 0.609157 0.727175 H\n0.511832 0.477686 0.064677 C\n0.988168 0.977686 0.935323 C\n0.511832 0.977686 0.435323 C\n0.988168 0.477686 0.564677 C\n0.084881 0.513308 0.019636 C\n0.084881 0.013308 0.480364 C\n0.011832 0.022314 0.064677 C\n0.915119 0.486692 0.980364 C\n0.584881 0.986692 0.019636 C\n0.488168 0.022314 0.564677 C\n0.415119 0.013308 0.980364 C\n0.915119 0.986692 0.519636 C\n0.415119 0.513308 0.519636 C\n0.488168 0.522314 0.935323 C\n0.011832 0.522314 0.435323 C\n0.584881 0.486692 0.480364 C\n0.305149 0.797156 0.231253 N\n0.194851 0.797156 0.731253 N\n0.805149 0.702844 0.231253 N\n0.805149 0.202844 0.268747 N\n0.194851 0.297156 0.768747 N\n0.694851 0.202844 0.768747 N\n0.305149 0.297156 0.268747 N\n0.694851 0.702844 0.731253 N\n0.521802 0.935981 0.645258 O\n0.978198 0.435981 0.354742 O\n0.021802 0.564019 0.645258 O\n0.062668 0.644076 0.417082 O\n0.817750 0.584645 0.995864 O\n0.021802 0.064019 0.854742 O\n0.521802 0.435981 0.854742 O\n0.562668 0.355924 0.082918 O\n0.437332 0.644076 0.917082 O\n0.116423 0.629149 0.064005 O\n0.883577 0.370851 0.935995 O\n0.937332 0.355924 0.582918 O\n0.116423 0.129149 0.435995 O\n0.383577 0.129149 0.935995 O\n0.062668 0.144076 0.082918 O\n0.817750 0.084645 0.504136 O\n0.616423 0.870851 0.064005 O\n0.478198 0.064019 0.354742 O\n0.182250 0.415355 0.004136 O\n0.182250 0.915355 0.495864 O\n0.317750 0.415355 0.504136 O\n0.883577 0.870851 0.564005 O\n0.682250 0.084645 0.004136 O\n0.383577 0.629149 0.564005 O\n0.478198 0.564019 0.145258 O\n0.616423 0.370851 0.435995 O\n0.682250 0.584645 0.495864 O\n0.937332 0.855924 0.917082 O\n0.562668 0.855924 0.417082 O\n0.978198 0.935981 0.145258 O\n0.317750 0.915355 0.995864 O\n0.437332 0.144076 0.582918 O\n",
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{
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"structure_string": "La4 Si4\n1.0\n2.284154 -6.701692 0.000000\n2.284154 6.701692 0.000000\n0.000000 0.000000 6.666998\nLa Si\n4 4\ndirect\n0.274122 0.725878 0.250000 La\n0.725878 0.274122 0.750000 La\n0.551763 0.448237 0.250000 La\n0.448237 0.551763 0.750000 La\n0.091363 0.908637 0.937025 Si\n0.908637 0.091363 0.062975 Si\n0.908637 0.091363 0.437025 Si\n0.091363 0.908637 0.562975 Si\n",
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{
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