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{
"id": "mp-505821",
"created_at": "2022-09-04T14:47:13.074676Z",
"structure_string": "Na2 V4 O10\n1.0\n-1.103361 3.480865 -0.000170\n-0.000203 -0.000307 5.101068\n10.930988 3.465635 -0.000656\nNa V O\n2 4 10\ndirect\n0.000002 0.866739 0.011544 Na\n0.499844 0.135241 0.511841 Na\n0.500116 0.391233 0.151090 V\n0.000085 0.597561 0.348997 V\n0.499847 0.404688 0.849089 V\n0.999991 0.610794 0.651114 V\n0.500009 0.535920 0.992831 O\n0.999976 0.466302 0.492746 O\n0.999902 0.509711 0.820844 O\n0.000113 0.521163 0.178250 O\n0.499965 0.481167 0.678363 O\n0.500063 0.492339 0.320757 O\n0.499704 0.086081 0.867162 O\n0.500233 0.069841 0.128962 O\n0.000086 0.932211 0.629122 O\n0.000063 0.916110 0.367289 O\n",
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{
"id": "mp-734008",
"created_at": "2022-09-04T14:47:13.081340Z",
"structure_string": "Sb8 N12 Cl28 O4\n1.0\n10.699494 0.000000 0.000000\n0.000000 11.265264 0.000000\n0.000000 0.000000 13.176022\nSb N Cl O\n8 12 28 4\ndirect\n0.159928 0.285834 0.923437 Sb\n0.159928 0.714166 0.076563 Sb\n0.340072 0.785834 0.576563 Sb\n0.340072 0.214166 0.423437 Sb\n0.840072 0.714166 0.076563 Sb\n0.840072 0.285834 0.923437 Sb\n0.659928 0.214166 0.423437 Sb\n0.659928 0.785834 0.576563 Sb\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.104527 0.594679 N\n0.000000 0.895473 0.405321 N\n0.500000 0.604527 0.905321 N\n0.500000 0.395473 0.094679 N\n0.000000 0.287524 0.228500 N\n0.000000 0.712476 0.771500 N\n0.500000 0.787524 0.271500 N\n0.500000 0.212476 0.728500 N\n0.196963 0.139045 0.797986 Cl\n0.196963 0.860955 0.202014 Cl\n0.303037 0.639045 0.702014 Cl\n0.303037 0.360955 0.297986 Cl\n0.803037 0.860955 0.202014 Cl\n0.803037 0.139045 0.797986 Cl\n0.696963 0.360955 0.297986 Cl\n0.696963 0.639045 0.702014 Cl\n0.278945 0.185330 0.049020 Cl\n0.278945 0.814670 0.950980 Cl\n0.221055 0.685330 0.450980 Cl\n0.221055 0.314670 0.549020 Cl\n0.721055 0.814670 0.950980 Cl\n0.721055 0.185330 0.049020 Cl\n0.778945 0.314670 0.549020 Cl\n0.778945 0.685330 0.450980 Cl\n0.000000 0.388410 0.790854 Cl\n0.000000 0.611590 0.209146 Cl\n0.500000 0.888410 0.709146 Cl\n0.500000 0.111590 0.290854 Cl\n0.500000 0.330484 0.798615 Cl\n0.500000 0.669516 0.201385 Cl\n0.000000 0.830484 0.701385 Cl\n0.000000 0.169516 0.298615 Cl\n0.197806 0.500000 0.000000 Cl\n0.302194 0.000000 0.500000 Cl\n0.802194 0.500000 0.000000 Cl\n0.697806 0.000000 0.500000 Cl\n0.000000 0.238023 0.985877 O\n0.000000 0.761977 0.014123 O\n0.500000 0.738023 0.514123 O\n0.500000 0.261977 0.485877 O\n",
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"elements": [
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"chemical_system": "Cl-N-O-Sb",
"density": 2.2990805990268366,
"density_atomic": 0.0327426947237177,
"volume": 1588.1405131365977,
"volume_molar": 18.39231868609081,
"formula_full": "Sb8 N12 Cl28 O4",
"formula_reduced": "Sb2N3Cl7O",
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"spacegroup": 58
},
{
"id": "mp-1191566",
"created_at": "2022-09-04T14:47:13.092242Z",
"structure_string": "Zn12 Sb10\n1.0\n5.458409 -6.143035 0.000000\n5.458409 6.143035 0.000000\n-1.455121 0.000000 8.087876\nZn Sb\n12 10\ndirect\n0.017560 0.932591 0.340533 Zn\n0.340533 0.017560 0.932591 Zn\n0.932591 0.340533 0.017560 Zn\n0.840533 0.432591 0.517560 Zn\n0.517560 0.840533 0.432591 Zn\n0.432591 0.517560 0.840533 Zn\n0.982440 0.067409 0.659467 Zn\n0.659467 0.982440 0.067409 Zn\n0.067409 0.659467 0.982440 Zn\n0.159467 0.567409 0.482440 Zn\n0.482440 0.159467 0.567409 Zn\n0.567409 0.482440 0.159467 Zn\n0.894473 0.605527 0.250000 Sb\n0.250000 0.894473 0.605527 Sb\n0.605527 0.250000 0.894473 Sb\n0.750000 0.105527 0.394473 Sb\n0.394473 0.750000 0.105527 Sb\n0.105527 0.394473 0.750000 Sb\n0.364066 0.364066 0.364066 Sb\n0.864066 0.864066 0.864066 Sb\n0.635934 0.635934 0.635934 Sb\n0.135934 0.135934 0.135934 Sb\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Sb-Zn",
"density": 6.130696448600142,
"density_atomic": 0.040561045130772994,
"volume": 542.3923355295636,
"volume_molar": 14.847104507746279,
"formula_full": "Zn12 Sb10",
"formula_reduced": "Zn6Sb5",
"formula_anonymous": "A5B6",
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"spacegroup": 167
},
{
"id": "mp-558692",
"created_at": "2022-09-04T14:47:13.114846Z",
"structure_string": "Sb8 Cl4 O8 F44\n1.0\n10.534980 0.000000 0.000000\n0.000000 7.776268 0.000000\n0.000000 6.853324 13.428493\nSb Cl O F\n8 4 8 44\ndirect\n0.537576 0.110281 0.226181 Sb\n0.162978 0.283261 0.894302 Sb\n0.337022 0.283261 0.394302 Sb\n0.662978 0.716739 0.605698 Sb\n0.837022 0.716739 0.105698 Sb\n0.962424 0.110281 0.726181 Sb\n0.462424 0.889719 0.773819 Sb\n0.037576 0.889719 0.273819 Sb\n0.167448 0.723153 0.610205 Cl\n0.667448 0.276847 0.889795 Cl\n0.332552 0.723153 0.110205 Cl\n0.832552 0.276847 0.389795 Cl\n0.748664 0.399070 0.409235 O\n0.454295 0.764401 0.063936 O\n0.954295 0.235599 0.436064 O\n0.545705 0.235599 0.936064 O\n0.248664 0.600930 0.090765 O\n0.251336 0.600930 0.590765 O\n0.045705 0.764401 0.563936 O\n0.751336 0.399070 0.909235 O\n0.907898 0.883937 0.169205 F\n0.459171 0.346063 0.136727 F\n0.909643 0.026570 0.305519 F\n0.728372 0.565331 0.547859 F\n0.504035 0.760826 0.541056 F\n0.540829 0.653937 0.863273 F\n0.096793 0.124514 0.170271 F\n0.153688 0.884362 0.371171 F\n0.346312 0.884362 0.871171 F\n0.908759 0.496168 0.219178 F\n0.004035 0.239174 0.958944 F\n0.190849 0.309425 0.316010 F\n0.353122 0.748910 0.729182 F\n0.690849 0.690575 0.183990 F\n0.590357 0.026570 0.805519 F\n0.409643 0.973430 0.194481 F\n0.271130 0.045858 0.497183 F\n0.596793 0.875486 0.329729 F\n0.228372 0.434669 0.952141 F\n0.495965 0.239174 0.458944 F\n0.728870 0.954142 0.502817 F\n0.040829 0.346063 0.636727 F\n0.646878 0.251090 0.270818 F\n0.995965 0.760826 0.041056 F\n0.959171 0.653937 0.363273 F\n0.853122 0.251090 0.770818 F\n0.846312 0.115638 0.628829 F\n0.771130 0.954142 0.002817 F\n0.092102 0.116063 0.830795 F\n0.309151 0.309425 0.816010 F\n0.903207 0.875486 0.829729 F\n0.090357 0.973430 0.694481 F\n0.653688 0.115638 0.128829 F\n0.271628 0.434669 0.452141 F\n0.592102 0.883937 0.669205 F\n0.809151 0.690575 0.683990 F\n0.091241 0.503832 0.780822 F\n0.146878 0.748910 0.229182 F\n0.407898 0.116063 0.330795 F\n0.771628 0.565331 0.047859 F\n0.403207 0.124514 0.670271 F\n0.408759 0.503832 0.280822 F\n0.228870 0.045858 0.997183 F\n0.591241 0.496168 0.719178 F\n",
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"elements": [
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"O",
"F"
],
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"density": 3.1393663336409388,
"density_atomic": 0.058176523040039306,
"volume": 1100.1001203862381,
"volume_molar": 10.351496523529486,
"formula_full": "Sb8 Cl4 O8 F44",
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"spacegroup": 14
},
{
"id": "mp-1184992",
"created_at": "2022-09-04T14:47:13.122863Z",
"structure_string": "K1 Cd1 O3\n1.0\n4.339857 0.000000 0.000000\n0.000000 4.339857 0.000000\n0.000000 0.000000 4.339857\nK Cd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"volume": 81.73842379384307,
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"formula_full": "K1 Cd1 O3",
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"spacegroup": 221
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{
"id": "mp-1026655",
"created_at": "2022-09-04T14:47:13.219056Z",
"structure_string": "Na1 Mg14 C1\n1.0\n6.321152 0.000000 0.000000\n-3.160576 5.474277 0.000000\n0.000000 0.000000 10.028752\nNa Mg C\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Na\n0.175004 0.837502 0.125000 Mg\n0.156240 0.828119 0.625000 Mg\n0.662498 0.324996 0.125000 Mg\n0.671881 0.343760 0.625000 Mg\n0.662498 0.837502 0.125000 Mg\n0.671881 0.828119 0.625000 Mg\n0.326454 0.173546 0.397263 Mg\n0.326454 0.173546 0.852737 Mg\n0.326454 0.652909 0.397263 Mg\n0.326454 0.652909 0.852737 Mg\n0.847091 0.173546 0.397263 Mg\n0.847091 0.173546 0.852737 Mg\n0.833333 0.666667 0.369764 Mg\n0.833333 0.666667 0.880236 Mg\n0.166667 0.333333 0.625000 C\n",
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"volume": 347.0322967174682,
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"formula_full": "Na1 Mg14 C1",
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{
"id": "mp-772722",
"created_at": "2022-09-04T14:47:13.234391Z",
"structure_string": "Na6 Cu2 B2 As2 O14\n1.0\n6.605935 0.000000 0.000000\n0.000000 5.284311 0.000000\n0.000000 0.219028 9.168951\nNa Cu B As O\n6 2 2 2 14\ndirect\n0.750000 0.241085 0.920986 Na\n0.000346 0.754686 0.749049 Na\n0.499654 0.754686 0.749049 Na\n0.500346 0.245314 0.250951 Na\n0.999654 0.245314 0.250951 Na\n0.250000 0.758915 0.079014 Na\n0.250000 0.221126 0.665829 Cu\n0.750000 0.778874 0.334171 Cu\n0.250000 0.266184 0.938281 B\n0.750000 0.733816 0.061719 B\n0.750000 0.298847 0.576136 As\n0.250000 0.701153 0.423864 As\n0.750000 0.710484 0.915727 O\n0.250000 0.034711 0.869450 O\n0.250000 0.472542 0.841346 O\n0.948684 0.214816 0.691570 O\n0.551316 0.214816 0.691570 O\n0.750000 0.624258 0.545270 O\n0.250000 0.848612 0.586037 O\n0.750000 0.151388 0.413963 O\n0.250000 0.375742 0.454730 O\n0.448684 0.785184 0.308430 O\n0.051316 0.785184 0.308430 O\n0.750000 0.527458 0.158654 O\n0.750000 0.965289 0.130550 O\n0.250000 0.289516 0.084273 O\n",
"nsites": 26,
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"formula_full": "Na6 Cu2 B2 As2 O14",
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{
"id": "mp-23144",
"created_at": "2022-09-04T14:47:13.076673Z",
"structure_string": "Tl2 Re6 Se8 Cl4\n1.0\n6.685629 0.000000 0.000000\n3.200449 8.531670 0.000000\n1.186586 0.368865 9.079868\nTl Re Se Cl\n2 6 8 4\ndirect\n0.178804 0.640399 0.469213 Tl\n0.821196 0.359601 0.530787 Tl\n0.272825 0.923909 0.022073 Re\n0.325571 0.178376 0.104326 Re\n0.674429 0.821624 0.895674 Re\n0.408479 0.102362 0.820837 Re\n0.591521 0.897638 0.179163 Re\n0.727175 0.076091 0.977927 Re\n0.974567 0.789913 0.055044 Se\n0.535720 0.657125 0.094369 Se\n0.360258 0.851782 0.754374 Se\n0.464280 0.342875 0.905631 Se\n0.202076 0.995190 0.291384 Se\n0.797924 0.004810 0.708616 Se\n0.639742 0.148218 0.245626 Se\n0.025433 0.210087 0.944956 Se\n0.097375 0.410626 0.239049 Cl\n0.704836 0.761020 0.412967 Cl\n0.902625 0.589374 0.760951 Cl\n0.295164 0.238980 0.587033 Cl\n",
"nsites": 20,
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{
"id": "mp-1018631",
"created_at": "2022-09-04T14:47:13.219132Z",
"structure_string": "Dy1 Cu2 S2\n1.0\n1.972658 -3.416743 0.000000\n1.972658 3.416743 0.000000\n0.000000 0.000000 6.356033\nDy Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.660546 Cu\n0.333333 0.666667 0.339454 Cu\n0.666667 0.333333 0.266043 S\n0.333333 0.666667 0.733957 S\n",
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}