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{
"id": "mp-1094485",
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"structure_string": "Mg1 Zn5\n1.0\n1.432634 5.266112 0.000000\n-1.432634 5.266112 0.000000\n0.000000 1.729234 6.347907\nMg Zn\n1 5\ndirect\n0.612679 0.612679 0.274267 Mg\n0.997649 0.997649 0.994901 Zn\n0.335522 0.335522 0.336424 Zn\n0.940864 0.940864 0.619055 Zn\n0.666595 0.666595 0.668564 Zn\n0.280024 0.280024 0.940123 Zn\n",
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{
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{
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"structure_string": "Na1 Ga4\n1.0\n-2.138501 2.138501 5.655963\n2.138501 -2.138501 5.655963\n2.138501 2.138501 -5.655963\nNa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750000 0.500000 Ga\n0.610550 0.610550 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.389450 0.389450 0.000000 Ga\n",
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"updated_at": "2021-11-28T01:37:29.153000Z",
"spacegroup": 139
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{
"id": "mp-1045643",
"created_at": "2022-09-04T14:46:16.471978Z",
"structure_string": "Ti9 O13\n1.0\n1.459494 4.907032 0.000000\n-1.459494 4.907032 0.000000\n0.000000 2.616169 17.557568\nTi O\n9 13\ndirect\n0.500000 0.500000 0.500000 Ti\n0.344054 0.344054 0.037049 Ti\n0.655946 0.655946 0.962951 Ti\n0.242827 0.242827 0.423457 Ti\n0.757173 0.757173 0.576543 Ti\n0.068189 0.068189 0.127860 Ti\n0.931811 0.931811 0.872140 Ti\n0.018310 0.018310 0.324952 Ti\n0.981690 0.981690 0.675048 Ti\n0.000000 0.000000 0.000000 O\n0.098128 0.098128 0.228071 O\n0.901872 0.901872 0.771929 O\n0.702207 0.702207 0.080074 O\n0.297793 0.297793 0.919926 O\n0.434039 0.434039 0.130749 O\n0.565961 0.565961 0.869251 O\n0.381365 0.381365 0.330426 O\n0.618635 0.618635 0.669574 O\n0.614874 0.614874 0.383787 O\n0.385126 0.385126 0.616213 O\n0.870279 0.870279 0.464284 O\n0.129721 0.129721 0.535716 O\n",
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"density": 4.217889352569987,
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"spacegroup": 12
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{
"id": "mp-30802",
"created_at": "2022-09-04T14:46:13.747769Z",
"structure_string": "Nd2 Zn22\n1.0\n-5.331829 5.331829 3.423617\n5.331829 -5.331829 3.423617\n5.331829 5.331829 -3.423617\nNd Zn\n2 22\ndirect\n0.250000 0.750000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.423727 0.096728 0.916233 Zn\n0.180495 0.507494 0.083767 Zn\n0.500000 0.500000 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.625000 0.375000 0.750000 Zn\n0.125000 0.375000 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n0.625000 0.875000 0.250000 Zn\n0.180495 0.096728 0.673002 Zn\n0.757494 0.930495 0.583767 Zn\n0.346728 0.173727 0.416233 Zn\n0.423727 0.507494 0.326998 Zn\n0.903272 0.819505 0.326998 Zn\n0.492506 0.576273 0.673002 Zn\n0.069505 0.242506 0.416233 Zn\n0.826273 0.653272 0.583767 Zn\n0.069505 0.653272 0.826998 Zn\n0.492506 0.819505 0.916233 Zn\n0.903272 0.576273 0.083767 Zn\n0.826273 0.242506 0.173002 Zn\n0.346728 0.930495 0.173002 Zn\n0.757494 0.173727 0.826998 Zn\n",
"nsites": 24,
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"formula_full": "Nd2 Zn22",
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},
{
"id": "mp-1182911",
"created_at": "2022-09-04T14:46:21.370751Z",
"structure_string": "Al8 O24\n1.0\n5.525405 0.000000 0.000000\n0.000000 7.949337 0.000000\n0.000000 0.000000 9.762878\nAl O\n8 24\ndirect\n0.977457 0.510118 0.196692 Al\n0.022543 0.489882 0.803308 Al\n0.522543 0.489882 0.696692 Al\n0.477457 0.510118 0.303308 Al\n0.977457 0.989882 0.696692 Al\n0.022543 0.010118 0.303308 Al\n0.522543 0.010118 0.196692 Al\n0.477457 0.989882 0.803308 Al\n0.564319 0.426018 0.494199 O\n0.435681 0.573982 0.505801 O\n0.935681 0.573982 0.994199 O\n0.064319 0.426018 0.005801 O\n0.183888 0.398442 0.309864 O\n0.816112 0.601558 0.690136 O\n0.316112 0.601558 0.809864 O\n0.683888 0.398442 0.190136 O\n0.234067 0.368022 0.700292 O\n0.765933 0.631978 0.299708 O\n0.265933 0.631978 0.200292 O\n0.734067 0.368022 0.799708 O\n0.064319 0.073982 0.505801 O\n0.935681 0.926018 0.494199 O\n0.435681 0.926018 0.005801 O\n0.564319 0.073982 0.994199 O\n0.183888 0.101558 0.809864 O\n0.816112 0.898442 0.190136 O\n0.316112 0.898442 0.309864 O\n0.683888 0.101558 0.690136 O\n0.265933 0.868022 0.700292 O\n0.734067 0.131978 0.299708 O\n0.234067 0.131978 0.200292 O\n0.765933 0.868022 0.799708 O\n",
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"density": 2.3227909176775707,
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"spacegroup": 61
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{
"id": "mp-1222",
"created_at": "2022-09-04T14:46:21.380786Z",
"structure_string": "Cr3 Si6\n1.0\n2.205245 -3.819596 0.000000\n2.205245 3.819596 0.000000\n0.000000 0.000000 6.370762\nCr Si\n3 6\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.166667 Cr\n0.500000 0.500000 0.833333 Cr\n0.166164 0.833836 0.833333 Si\n0.332329 0.166164 0.166667 Si\n0.833836 0.667671 0.500000 Si\n0.833836 0.166164 0.833333 Si\n0.667671 0.833836 0.166667 Si\n0.166164 0.332329 0.500000 Si\n",
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{
"id": "mp-27819",
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"structure_string": "Ag6 O2\n1.0\n2.704900 -4.685025 0.000000\n2.704900 4.685025 0.000000\n0.000000 0.000000 5.043357\nAg O\n6 2\ndirect\n0.689248 0.689248 0.221665 Ag\n0.000000 0.689248 0.778335 Ag\n0.689248 0.000000 0.778335 Ag\n0.310752 0.310752 0.778335 Ag\n0.000000 0.310752 0.221665 Ag\n0.310752 0.000000 0.221665 Ag\n0.666667 0.333333 0.500000 O\n0.333333 0.666667 0.500000 O\n",
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{
"id": "mp-1186234",
"created_at": "2022-09-04T14:46:16.282316Z",
"structure_string": "Nb4 Se8\n1.0\n1.744858 -3.018347 0.000000\n1.744858 3.018347 0.000000\n0.000000 0.000000 26.450009\nNb Se\n4 8\ndirect\n0.223616 0.776384 0.000000 Nb\n0.999601 0.000399 0.259568 Nb\n0.666426 0.333574 0.500000 Nb\n0.999601 0.000399 0.740432 Nb\n0.890080 0.109920 0.063807 Se\n0.333141 0.666859 0.195673 Se\n0.665753 0.334247 0.323288 Se\n0.333048 0.666952 0.436461 Se\n0.333048 0.666952 0.563539 Se\n0.665753 0.334247 0.676712 Se\n0.333141 0.666859 0.804327 Se\n0.890080 0.109920 0.936193 Se\n",
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{
"id": "mp-1094481",
"created_at": "2022-09-04T14:46:23.084670Z",
"structure_string": "Mg8 Ti6\n1.0\n4.097049 -7.096297 0.000000\n4.097049 7.096297 0.000000\n0.000000 0.000000 4.884142\nMg Ti\n8 6\ndirect\n0.625831 0.536680 0.750000 Mg\n0.374169 0.463320 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.536680 0.910849 0.250000 Mg\n0.910849 0.374169 0.750000 Mg\n0.089151 0.625831 0.250000 Mg\n0.463320 0.089151 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.829134 0.787706 0.250000 Ti\n0.170866 0.212294 0.750000 Ti\n0.787706 0.958572 0.750000 Ti\n0.958572 0.170866 0.250000 Ti\n0.041428 0.829134 0.750000 Ti\n0.212294 0.041428 0.250000 Ti\n",
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"formula_full": "Mg8 Ti6",
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{
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"structure_string": "Sc2 I6\n1.0\n5.935045 -10.279799 0.000000\n5.935045 10.279799 0.000000\n0.000000 0.000000 3.815313\nSc I\n2 6\ndirect\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n0.225447 0.450893 0.250000 I\n0.549107 0.774553 0.250000 I\n0.225447 0.774553 0.250000 I\n0.774553 0.549107 0.750000 I\n0.450893 0.225447 0.750000 I\n0.774553 0.225447 0.750000 I\n",
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{
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"structure_string": "Li3 Zr1\n1.0\n0.000000 3.345847 3.345847\n3.345847 0.000000 3.345847\n3.345847 3.345847 0.000000\nLi Zr\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zr\n",
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]
}