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{
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"results": [
{
"id": "mp-9400",
"created_at": "2022-09-04T14:45:20.032426Z",
"structure_string": "Ce2 Al2 Si4\n1.0\n2.072237 -3.589220 0.000000\n2.072237 3.589220 0.000000\n0.000000 0.000000 10.914420\nCe Al Si\n2 2 4\ndirect\n0.000000 0.000000 0.821124 Ce\n0.000000 0.000000 0.178876 Ce\n0.666667 0.333333 0.414140 Al\n0.333333 0.666667 0.585860 Al\n0.333333 0.666667 0.996938 Si\n0.666667 0.333333 0.003062 Si\n0.333333 0.666667 0.350889 Si\n0.666667 0.333333 0.649111 Si\n",
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{
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"structure_string": "Nb4 Se8\n1.0\n1.749999 -3.028417 0.000000\n1.749999 3.028417 0.000000\n0.000000 0.000000 37.795115\nNb Se\n4 8\ndirect\n0.240251 0.241342 0.414491 Nb\n0.241342 0.240251 0.585509 Nb\n0.759749 0.758658 0.914491 Nb\n0.758658 0.759749 0.085509 Nb\n0.424546 0.092928 0.130390 Se\n0.092928 0.424546 0.869610 Se\n0.574373 0.906514 0.541081 Se\n0.093486 0.425627 0.958919 Se\n0.907072 0.575454 0.369610 Se\n0.425627 0.093486 0.041081 Se\n0.575454 0.907072 0.630390 Se\n0.906514 0.574373 0.458919 Se\n",
"nsites": 12,
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"density": 4.158753279942649,
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"volume": 400.607561821605,
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"formula_full": "Nb4 Se8",
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"formula_anonymous": "AB2",
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},
{
"id": "mp-16342",
"created_at": "2022-09-04T14:45:21.250925Z",
"structure_string": "Ho2 Ge2\n1.0\n2.136993 -5.345980 0.000000\n2.136993 5.345980 0.000000\n0.000000 0.000000 3.945582\nHo Ge\n2 2\ndirect\n0.137933 0.862067 0.250000 Ho\n0.862067 0.137933 0.750000 Ho\n0.413741 0.586259 0.250000 Ge\n0.586259 0.413741 0.750000 Ge\n",
"nsites": 4,
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"density": 8.751848219834732,
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"volume": 90.15119721354418,
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"formula_full": "Ho2 Ge2",
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"spacegroup": 63
},
{
"id": "mp-1194602",
"created_at": "2022-09-04T14:45:28.118570Z",
"structure_string": "Cd4 H8 S4 O20\n1.0\n0.000000 -7.529930 0.000000\n-6.625671 0.000000 4.325283\n-6.510998 0.000000 -4.161956\nCd H S O\n4 8 4 20\ndirect\n0.761555 0.537173 0.240452 Cd\n0.261555 0.962827 0.259548 Cd\n0.238445 0.462827 0.759548 Cd\n0.738445 0.037173 0.740452 Cd\n0.572556 0.200863 0.375736 H\n0.072556 0.299137 0.124264 H\n0.427444 0.799137 0.624264 H\n0.927444 0.700863 0.875736 H\n0.482440 0.303431 0.491309 H\n0.982440 0.196569 0.008691 H\n0.517560 0.696569 0.508691 H\n0.017560 0.803431 0.991309 H\n0.116419 0.255316 0.486711 S\n0.616419 0.244684 0.013289 S\n0.883581 0.744684 0.513289 S\n0.383581 0.755316 0.986711 S\n0.996982 0.203591 0.653611 O\n0.496982 0.296409 0.846389 O\n0.003018 0.796409 0.346389 O\n0.503018 0.703591 0.153611 O\n0.259633 0.377471 0.509748 O\n0.759633 0.122529 0.990252 O\n0.740367 0.622529 0.490252 O\n0.240367 0.877471 0.009748 O\n0.014456 0.361753 0.306552 O\n0.514456 0.138247 0.193448 O\n0.985544 0.638247 0.693448 O\n0.485544 0.861753 0.806552 O\n0.199177 0.093228 0.472369 O\n0.699177 0.406772 0.027631 O\n0.800823 0.906772 0.527631 O\n0.300823 0.593228 0.972369 O\n0.600104 0.261792 0.463238 O\n0.100104 0.238208 0.036762 O\n0.399896 0.738208 0.536762 O\n0.899896 0.761792 0.963238 O\n",
"nsites": 36,
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"elements": [
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"S",
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],
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"density": 3.584398615942993,
"density_atomic": 0.08577541516102562,
"volume": 419.7006791796628,
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"formula_full": "Cd4 H8 S4 O20",
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"spacegroup": 14
},
{
"id": "mp-570147",
"created_at": "2022-09-04T14:45:20.049669Z",
"structure_string": "Sc12 Si22 Ni36\n1.0\n-4.012534 6.113732 8.960445\n4.012534 -6.113732 8.960445\n4.012534 6.113732 -8.960445\nSc Si Ni\n12 22 36\ndirect\n0.810176 0.310176 0.500000 Sc\n0.189824 0.689824 0.500000 Sc\n0.468542 0.284951 0.183591 Sc\n0.370255 0.870255 0.500000 Sc\n0.531458 0.715049 0.816409 Sc\n0.629745 0.129745 0.500000 Sc\n0.182453 0.795976 0.978430 Sc\n0.898640 0.715049 0.183591 Sc\n0.817547 0.204024 0.021570 Sc\n0.101360 0.284951 0.816409 Sc\n0.182453 0.204024 0.386477 Sc\n0.817547 0.795976 0.613523 Sc\n0.331658 0.509638 0.177980 Si\n0.500000 0.767352 0.267352 Si\n0.675046 0.100874 0.089737 Si\n0.674492 0.500000 0.174492 Si\n0.166651 0.883424 0.283227 Si\n0.331658 0.153678 0.822020 Si\n0.011136 0.100874 0.425827 Si\n0.600197 0.883424 0.716773 Si\n0.324954 0.414691 0.425827 Si\n0.399803 0.116576 0.283227 Si\n0.668342 0.846322 0.177980 Si\n0.500000 0.232648 0.732648 Si\n0.675046 0.585309 0.574173 Si\n0.000000 0.000000 0.000000 Si\n0.324954 0.899126 0.910263 Si\n0.988864 0.414691 0.089737 Si\n0.668342 0.490362 0.822020 Si\n0.833349 0.116576 0.716773 Si\n0.000000 0.500000 0.500000 Si\n0.988864 0.899126 0.574173 Si\n0.011136 0.585309 0.910263 Si\n0.325508 0.500000 0.825508 Si\n0.268012 0.638322 0.074958 Ni\n0.436636 0.806946 0.074958 Ni\n0.987210 0.886851 0.100359 Ni\n0.213508 0.113149 0.100359 Ni\n0.731988 0.806946 0.370310 Ni\n0.436636 0.361678 0.629690 Ni\n0.209802 0.376843 0.167041 Ni\n0.563364 0.638322 0.370310 Ni\n0.209802 0.042760 0.832959 Ni\n0.618216 0.000000 0.618216 Ni\n0.012790 0.113149 0.899641 Ni\n0.093072 0.420602 0.672469 Ni\n0.075610 0.806076 0.730466 Ni\n0.568849 0.568849 0.000000 Ni\n0.126540 0.612723 0.174860 Ni\n0.268012 0.193054 0.629690 Ni\n0.381784 0.000000 0.381784 Ni\n0.906928 0.579398 0.327531 Ni\n0.790198 0.623157 0.832959 Ni\n0.786492 0.886851 0.899641 Ni\n0.437862 0.612723 0.486183 Ni\n0.251867 0.579398 0.672469 Ni\n0.437862 0.951679 0.825140 Ni\n0.790198 0.957240 0.167041 Ni\n0.431151 0.431151 0.000000 Ni\n0.873460 0.048321 0.486183 Ni\n0.924390 0.193924 0.269534 Ni\n0.563364 0.193054 0.925042 Ni\n0.562138 0.048321 0.174860 Ni\n0.562138 0.387277 0.513817 Ni\n0.731988 0.361678 0.925042 Ni\n0.126540 0.951679 0.513817 Ni\n0.075610 0.345144 0.269534 Ni\n0.873460 0.387277 0.825140 Ni\n0.748133 0.420602 0.327531 Ni\n0.924390 0.654856 0.730466 Ni\n",
"nsites": 70,
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"elements": [
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],
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"density": 6.176236311273337,
"density_atomic": 0.07961288235249629,
"volume": 879.2546875776459,
"volume_molar": 7.564279274974867,
"formula_full": "Sc12 Si22 Ni36",
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"energy": -455.38653134,
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"updated_at": "2021-11-28T01:37:07.117000Z",
"spacegroup": 71
},
{
"id": "mp-1202709",
"created_at": "2022-09-04T14:45:27.986864Z",
"structure_string": "K8 Sn4 H8 Cl16 O4\n1.0\n8.374111 0.000000 0.000000\n0.000000 9.278359 0.000000\n0.000000 0.000000 12.174348\nK Sn H Cl O\n8 4 8 16 4\ndirect\n0.630129 0.982423 0.815710 K\n0.869871 0.517577 0.315710 K\n0.369871 0.482423 0.184290 K\n0.130129 0.017577 0.684290 K\n0.369871 0.017577 0.184290 K\n0.130129 0.482423 0.684290 K\n0.630129 0.517577 0.815710 K\n0.869871 0.982423 0.315710 K\n0.008257 0.250000 0.010004 Sn\n0.491743 0.250000 0.510004 Sn\n0.991743 0.750000 0.989996 Sn\n0.508257 0.750000 0.489996 Sn\n0.577402 0.750000 0.040067 H\n0.922598 0.750000 0.540067 H\n0.422598 0.250000 0.959933 H\n0.077402 0.250000 0.459933 H\n0.437474 0.750000 0.955444 H\n0.062526 0.750000 0.455444 H\n0.562526 0.250000 0.044556 H\n0.937474 0.250000 0.544556 H\n0.894015 0.250000 0.807182 Cl\n0.605985 0.250000 0.307182 Cl\n0.105985 0.750000 0.192818 Cl\n0.394015 0.750000 0.692818 Cl\n0.794329 0.053261 0.057182 Cl\n0.705671 0.446739 0.557182 Cl\n0.205671 0.553261 0.942818 Cl\n0.294329 0.946739 0.442818 Cl\n0.205671 0.946739 0.942818 Cl\n0.294329 0.553261 0.442818 Cl\n0.794329 0.446739 0.057182 Cl\n0.705671 0.053261 0.557182 Cl\n0.898991 0.750000 0.734992 Cl\n0.601009 0.750000 0.234992 Cl\n0.101009 0.250000 0.265008 Cl\n0.398991 0.250000 0.765008 Cl\n0.553950 0.750000 0.960579 O\n0.946050 0.750000 0.460579 O\n0.446050 0.250000 0.039421 O\n0.053950 0.250000 0.539421 O\n",
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"formula_full": "K8 Sn4 H8 Cl16 O4",
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"energy": -169.95318653,
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{
"id": "mp-569318",
"created_at": "2022-09-04T14:45:21.287670Z",
"structure_string": "Pu3 Ni12\n1.0\n4.809633 0.000000 0.810390\n2.404816 4.218665 0.405195\n-0.050375 0.000000 10.129588\nPu Ni\n3 12\ndirect\n0.126110 0.000000 0.643788 Pu\n0.000000 0.000000 0.000000 Pu\n0.873890 0.000000 0.356212 Pu\n0.569054 0.498953 0.801207 Ni\n0.068007 0.501047 0.801207 Ni\n0.430946 0.501047 0.198793 Ni\n0.430877 0.000000 0.201377 Ni\n0.931993 0.498953 0.198793 Ni\n0.665167 0.669666 0.000000 Ni\n0.569123 0.000000 0.798623 Ni\n0.194062 0.341322 0.405636 Ni\n0.805938 0.658678 0.594364 Ni\n0.464617 0.341322 0.594364 Ni\n0.535383 0.658678 0.405636 Ni\n0.334833 0.330334 0.000000 Ni\n",
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"volume": 205.70389460945907,
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"formula_full": "Pu3 Ni12",
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{
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"structure_string": "Cs4 V6 O16\n1.0\n9.089167 0.000000 0.000000\n0.000000 9.089167 0.000000\n0.000000 0.000000 6.168733\nCs V O\n4 6 16\ndirect\n0.325248 0.174752 0.467151 Cs\n0.674752 0.825248 0.467151 Cs\n0.825248 0.325248 0.467151 Cs\n0.174752 0.674752 0.467151 Cs\n0.368012 0.868012 0.985134 V\n0.631988 0.131988 0.985134 V\n0.868012 0.631988 0.985134 V\n0.131988 0.368012 0.985134 V\n0.500000 0.500000 0.982683 V\n0.000000 0.000000 0.982683 V\n0.500000 0.500000 0.715851 O\n0.000000 0.000000 0.715851 O\n0.375470 0.875470 0.715467 O\n0.624530 0.124530 0.715467 O\n0.875470 0.624530 0.715467 O\n0.124530 0.375470 0.715467 O\n0.416024 0.693009 0.079002 O\n0.583976 0.306991 0.079002 O\n0.916024 0.806991 0.079002 O\n0.083976 0.193009 0.079002 O\n0.306991 0.416024 0.079002 O\n0.693009 0.583976 0.079002 O\n0.193009 0.916024 0.079002 O\n0.806991 0.083976 0.079002 O\n0.500000 0.000000 0.100355 O\n0.000000 0.500000 0.100355 O\n",
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},
{
"id": "mp-16189",
"created_at": "2022-09-04T14:45:23.964377Z",
"structure_string": "Tm8 Zn10 Ge12\n1.0\n2.114366 -9.214399 0.000000\n2.114366 9.214399 0.000000\n0.000000 0.000000 15.206139\nTm Zn Ge\n8 10 12\ndirect\n0.032474 0.967526 0.736428 Tm\n0.967526 0.032474 0.236428 Tm\n0.833058 0.166942 0.696789 Tm\n0.166942 0.833058 0.196789 Tm\n0.174844 0.825156 0.556007 Tm\n0.825156 0.174844 0.056007 Tm\n0.981385 0.018615 0.501162 Tm\n0.018615 0.981385 0.001162 Tm\n0.565618 0.434382 0.313757 Zn\n0.434382 0.565618 0.813757 Zn\n0.849066 0.150934 0.373149 Zn\n0.150934 0.849066 0.873149 Zn\n0.349102 0.650898 0.518997 Zn\n0.650898 0.349102 0.018997 Zn\n0.698960 0.301040 0.376092 Zn\n0.301040 0.698960 0.876092 Zn\n0.655366 0.344634 0.725997 Zn\n0.344634 0.655366 0.225997 Zn\n0.228812 0.771188 0.734015 Ge\n0.569365 0.430635 0.591086 Ge\n0.223776 0.776224 0.015084 Ge\n0.776224 0.223776 0.515084 Ge\n0.560259 0.439741 0.145531 Ge\n0.439741 0.560259 0.645531 Ge\n0.565918 0.434082 0.870986 Ge\n0.434082 0.565918 0.370986 Ge\n0.888411 0.111589 0.883579 Ge\n0.111589 0.888411 0.383579 Ge\n0.430635 0.569365 0.091086 Ge\n0.771188 0.228812 0.234015 Ge\n",
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"formula_full": "Tm8 Zn10 Ge12",
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