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"results": [
{
"id": "mp-706235",
"created_at": "2022-09-04T14:40:23.379177Z",
"structure_string": "Na4 Ca8 V12 Zn8 O48\n1.0\n-6.298058 6.298058 6.300059\n6.298058 -6.298058 6.300059\n6.298058 6.298058 -6.300059\nNa Ca V Zn O\n4 8 12 8 48\ndirect\n0.000000 0.500000 0.500000 Na\n0.250000 0.250000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.750000 0.750000 0.000000 Na\n0.001767 0.375000 0.126767 Ca\n0.125000 0.998233 0.373233 Ca\n0.501767 0.375000 0.626767 Ca\n0.125000 0.498233 0.873233 Ca\n0.248233 0.875000 0.873233 Ca\n0.625000 0.751767 0.626767 Ca\n0.748233 0.875000 0.373233 Ca\n0.625000 0.251767 0.126767 Ca\n0.000000 0.000000 0.000000 V\n0.999553 0.875000 0.624553 V\n0.125000 0.249553 0.624553 V\n0.250447 0.375000 0.375447 V\n0.125000 0.749553 0.124553 V\n0.250000 0.750000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.499553 0.875000 0.124553 V\n0.625000 0.000447 0.875447 V\n0.625000 0.500447 0.375447 V\n0.750447 0.375000 0.875447 V\n0.750000 0.250000 0.500000 V\n0.875000 0.125000 0.250000 Zn\n0.875000 0.625000 0.250000 Zn\n0.875000 0.125000 0.750000 Zn\n0.875000 0.625000 0.750000 Zn\n0.375000 0.625000 0.750000 Zn\n0.375000 0.125000 0.750000 Zn\n0.375000 0.625000 0.250000 Zn\n0.375000 0.125000 0.250000 Zn\n0.980927 0.742952 0.162014 O\n0.892720 0.334127 0.870810 O\n0.988678 0.139435 0.958902 O\n0.970225 0.011322 0.150757 O\n0.963317 0.834127 0.441407 O\n0.978090 0.107280 0.441407 O\n0.068913 0.330938 0.337986 O\n0.286683 0.228090 0.370810 O\n0.257048 0.419062 0.237975 O\n0.165873 0.607280 0.129190 O\n0.181087 0.019073 0.762025 O\n0.889435 0.430533 0.650757 O\n0.069467 0.610565 0.349243 O\n0.080938 0.242952 0.762025 O\n0.271910 0.213317 0.629190 O\n0.169062 0.431087 0.662014 O\n0.180533 0.029775 0.041098 O\n0.992952 0.730927 0.662014 O\n0.269073 0.931087 0.262025 O\n0.392720 0.521910 0.558593 O\n0.389435 0.738678 0.458902 O\n0.261322 0.720225 0.650757 O\n0.470225 0.319467 0.958902 O\n0.084127 0.713317 0.941407 O\n0.665873 0.536683 0.558593 O\n0.279775 0.930533 0.541098 O\n0.488678 0.529775 0.849243 O\n0.360565 0.511322 0.041098 O\n0.357280 0.728090 0.941407 O\n0.480927 0.318913 0.237975 O\n0.757048 0.519073 0.837986 O\n0.569467 0.220225 0.458902 O\n0.580938 0.818913 0.837986 O\n0.478090 0.036683 0.870810 O\n0.669062 0.007048 0.737975 O\n0.680533 0.639435 0.150757 O\n0.860565 0.819467 0.849243 O\n0.568913 0.230927 0.737975 O\n0.584127 0.642720 0.370810 O\n0.492952 0.830938 0.262025 O\n0.463317 0.021910 0.129190 O\n0.681087 0.919062 0.162014 O\n0.771910 0.142720 0.058593 O\n0.786683 0.415873 0.058593 O\n0.779775 0.238678 0.349243 O\n0.761322 0.110565 0.541098 O\n0.857280 0.915873 0.629190 O\n0.769073 0.507048 0.337986 O\n",
"nsites": 80,
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"density_atomic": 0.08003354748085906,
"volume": 999.5808322645316,
"volume_molar": 7.524520591118699,
"formula_full": "Na4 Ca8 V12 Zn8 O48",
"formula_reduced": "NaCa2V3Zn2O12",
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"energy": -582.33417455,
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"updated_at": "2021-11-28T01:34:55.582000Z",
"spacegroup": 142
},
{
"id": "mp-758775",
"created_at": "2022-09-04T14:46:17.182998Z",
"structure_string": "Cs4 Mn4 H16 O8 F16\n1.0\n0.000376 6.723609 0.000826\n-12.050569 -0.000677 -0.101840\n-0.990911 -3.360862 7.990278\nCs Mn H O F\n4 4 16 8 16\ndirect\n0.221977 0.249990 0.499827 Cs\n0.721818 0.750013 0.499946 Cs\n0.023886 0.000032 0.000002 Cs\n0.523845 0.499984 0.999900 Cs\n0.372728 0.874773 0.750163 Mn\n0.622630 0.124965 0.249761 Mn\n0.873052 0.375056 0.749775 Mn\n0.122404 0.624969 0.250165 Mn\n0.553646 0.461379 0.426038 H\n0.053855 0.961355 0.426254 H\n0.618075 0.211423 0.925924 H\n0.117962 0.711247 0.926289 H\n0.191846 0.288763 0.073807 H\n0.691976 0.788674 0.074188 H\n0.627562 0.038719 0.573883 H\n0.127634 0.538687 0.574029 H\n0.081438 0.400488 0.096777 H\n0.581775 0.900493 0.097093 H\n0.663945 0.349683 0.402731 H\n0.163927 0.849582 0.403037 H\n0.760938 0.150456 0.596994 H\n0.261031 0.650435 0.597163 H\n0.484967 0.099557 0.903039 H\n0.984813 0.599452 0.903122 H\n0.632541 0.389751 0.485139 O\n0.132559 0.889700 0.485418 O\n0.113023 0.360365 0.014500 O\n0.613252 0.860285 0.014833 O\n0.598669 0.139783 0.985258 O\n0.098461 0.639599 0.985516 O\n0.647125 0.110351 0.514660 O\n0.147122 0.610367 0.514846 O\n0.034804 0.475976 0.229690 F\n0.534847 0.976047 0.229492 F\n0.710445 0.273972 0.270157 F\n0.210152 0.773956 0.270361 F\n0.940172 0.225977 0.729536 F\n0.440158 0.725902 0.729895 F\n0.305699 0.023870 0.770609 F\n0.805775 0.523973 0.770152 F\n0.098746 0.424366 0.682645 F\n0.598340 0.924340 0.682973 F\n0.646876 0.325655 0.816660 F\n0.146684 0.825519 0.817105 F\n0.329982 0.174528 0.183035 F\n0.829616 0.674380 0.183310 F\n0.915538 0.075605 0.317101 F\n0.415242 0.575559 0.317205 F\n",
"nsites": 48,
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"F"
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"volume": 648.1106355816713,
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"formula_full": "Cs4 Mn4 H16 O8 F16",
"formula_reduced": "CsMnH4(OF2)2",
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"updated_at": "2021-11-28T01:37:33.748000Z",
"spacegroup": 15
},
{
"id": "mp-1278892",
"created_at": "2022-09-04T14:46:16.283561Z",
"structure_string": "Mn4 Bi6 O14\n1.0\n-0.000896 -0.000186 -5.824689\n-5.850325 0.052623 -0.000907\n2.831351 10.251216 0.000822\nMn Bi O\n4 6 14\ndirect\n0.011118 0.156000 0.786029 Mn\n0.505713 0.624452 0.788605 Mn\n0.005853 0.375384 0.211430 Mn\n0.511054 0.844017 0.213927 Mn\n0.411822 0.150339 0.999580 Bi\n0.911950 0.849870 0.000423 Bi\n0.038323 0.959141 0.369741 Bi\n0.035116 0.581898 0.627407 Bi\n0.538432 0.040704 0.630239 Bi\n0.535271 0.417984 0.372642 Bi\n0.532485 0.773352 0.995248 O\n0.032395 0.226912 0.004801 O\n0.427716 0.069041 0.433423 O\n0.436524 0.630082 0.574239 O\n0.927650 0.930836 0.566501 O\n0.936368 0.369841 0.425806 O\n0.274579 0.626053 0.254332 O\n0.254271 0.353182 0.744707 O\n0.774757 0.373796 0.745569 O\n0.754369 0.646796 0.255304 O\n0.279947 0.086056 0.186361 O\n0.261961 0.925913 0.811861 O\n0.780187 0.914062 0.813562 O\n0.762139 0.074288 0.188260 O\n",
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"elements": [
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],
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"volume": 350.1915904635759,
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"formula_full": "Mn4 Bi6 O14",
"formula_reduced": "Mn2Bi3O7",
"formula_anonymous": "A2B3C7",
"energy": -170.66481919999998,
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},
{
"id": "mp-571478",
"created_at": "2022-09-04T14:46:05.425386Z",
"structure_string": "Sn4 Hg28 As16 I24\n1.0\n13.504710 0.000000 0.000000\n0.000000 13.504710 0.000000\n0.000000 0.000000 13.504710\nSn Hg As I\n4 28 16 24\ndirect\n0.764977 0.764977 0.764977 Sn\n0.235023 0.264977 0.735023 Sn\n0.264977 0.735023 0.235023 Sn\n0.735023 0.235023 0.264977 Sn\n0.318307 0.097976 0.076474 Hg\n0.068806 0.499781 0.751055 Hg\n0.431194 0.500219 0.251055 Hg\n0.931194 0.999781 0.748945 Hg\n0.535098 0.464902 0.964902 Hg\n0.681693 0.597976 0.423526 Hg\n0.576474 0.181693 0.902024 Hg\n0.035098 0.035098 0.035098 Hg\n0.181693 0.902024 0.576474 Hg\n0.248945 0.568806 0.000219 Hg\n0.902024 0.576474 0.181693 Hg\n0.251055 0.431194 0.500219 Hg\n0.748945 0.931194 0.999781 Hg\n0.499781 0.751055 0.068806 Hg\n0.597976 0.423526 0.681693 Hg\n0.097976 0.076474 0.318307 Hg\n0.818307 0.402024 0.923526 Hg\n0.923526 0.818307 0.402024 Hg\n0.500219 0.251055 0.431194 Hg\n0.402024 0.923526 0.818307 Hg\n0.464902 0.964902 0.535098 Hg\n0.423526 0.681693 0.597976 Hg\n0.076474 0.318307 0.097976 Hg\n0.999781 0.748945 0.931194 Hg\n0.568806 0.000219 0.248945 Hg\n0.964902 0.535098 0.464902 Hg\n0.751055 0.068806 0.499781 Hg\n0.000219 0.248945 0.568806 Hg\n0.963819 0.463819 0.036181 As\n0.536181 0.536181 0.536181 As\n0.073767 0.426233 0.573767 As\n0.069162 0.569162 0.930838 As\n0.856357 0.643643 0.356357 As\n0.643643 0.356357 0.856357 As\n0.036181 0.963819 0.463819 As\n0.430838 0.430838 0.430838 As\n0.143643 0.143643 0.143643 As\n0.573767 0.073767 0.426233 As\n0.569162 0.930838 0.069162 As\n0.930838 0.069162 0.569162 As\n0.426233 0.573767 0.073767 As\n0.356357 0.856357 0.643643 As\n0.926233 0.926233 0.926233 As\n0.463819 0.036181 0.963819 As\n0.526307 0.736275 0.314252 I\n0.786849 0.187532 0.055428 I\n0.713151 0.812468 0.555428 I\n0.814252 0.973693 0.263725 I\n0.687532 0.444572 0.213151 I\n0.185748 0.473693 0.236275 I\n0.555428 0.713151 0.812468 I\n0.444572 0.213151 0.687532 I\n0.763725 0.685748 0.026307 I\n0.236275 0.185748 0.473693 I\n0.473693 0.236275 0.185748 I\n0.286849 0.312468 0.944572 I\n0.312468 0.944572 0.286849 I\n0.685748 0.026307 0.763725 I\n0.055428 0.786849 0.187532 I\n0.944572 0.286849 0.312468 I\n0.026307 0.763725 0.685748 I\n0.736275 0.314252 0.526307 I\n0.187532 0.055428 0.786849 I\n0.263725 0.814252 0.973693 I\n0.213151 0.687532 0.444572 I\n0.812468 0.555428 0.713151 I\n0.314252 0.526307 0.736275 I\n0.973693 0.263725 0.814252 I\n",
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"volume": 2462.951091060537,
"volume_molar": 20.600330771336292,
"formula_full": "Sn4 Hg28 As16 I24",
"formula_reduced": "SnHg7(As2I3)2",
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"energy": -159.5369543,
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"updated_at": "2021-11-28T01:37:22.470000Z",
"spacegroup": 198
},
{
"id": "mp-1199243",
"created_at": "2022-09-04T14:40:56.608822Z",
"structure_string": "Cs6 Ho21 S34 Cl1\n1.0\n9.806596 8.630614 0.000000\n-9.806596 8.630614 0.000000\n0.000000 8.176832 10.197601\nCs Ho S Cl\n6 21 34 1\ndirect\n0.051529 0.805980 0.729277 Cs\n0.805980 0.051529 0.729277 Cs\n0.948471 0.194020 0.270723 Cs\n0.194020 0.948471 0.270723 Cs\n0.768354 0.768354 0.584935 Cs\n0.231646 0.231646 0.415065 Cs\n0.698554 0.301446 0.000000 Ho\n0.301446 0.698554 0.000000 Ho\n0.045418 0.463043 0.751323 Ho\n0.463043 0.045418 0.751323 Ho\n0.954582 0.536957 0.248677 Ho\n0.536957 0.954582 0.248677 Ho\n0.828583 0.427441 0.623161 Ho\n0.427441 0.828583 0.623161 Ho\n0.171417 0.572559 0.376839 Ho\n0.572559 0.171417 0.376839 Ho\n0.900432 0.099568 0.000000 Ho\n0.099568 0.900432 0.000000 Ho\n0.261109 0.465301 0.893394 Ho\n0.465301 0.261109 0.893394 Ho\n0.738891 0.534699 0.106606 Ho\n0.534699 0.738891 0.106606 Ho\n0.399749 0.600251 0.500000 Ho\n0.600251 0.399749 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.243384 0.243384 0.743023 Ho\n0.756616 0.756616 0.256977 Ho\n0.682441 0.682441 0.941689 S\n0.317559 0.317559 0.058311 S\n0.058677 0.058677 0.821096 S\n0.941323 0.941323 0.178904 S\n0.089364 0.289986 0.922375 S\n0.289986 0.089364 0.922375 S\n0.910636 0.710014 0.077625 S\n0.710014 0.910636 0.077625 S\n0.881675 0.485928 0.936046 S\n0.485928 0.881675 0.936046 S\n0.118325 0.514072 0.063954 S\n0.514072 0.118325 0.063954 S\n0.867134 0.273573 0.814258 S\n0.273573 0.867134 0.814258 S\n0.132866 0.726427 0.185742 S\n0.726427 0.132866 0.185742 S\n0.245820 0.632270 0.689267 S\n0.632270 0.245820 0.689267 S\n0.754180 0.367730 0.310733 S\n0.367730 0.754180 0.310733 S\n0.012727 0.607981 0.558225 S\n0.607981 0.012727 0.558225 S\n0.987273 0.392019 0.441775 S\n0.392019 0.987273 0.441775 S\n0.213390 0.422375 0.563243 S\n0.422375 0.213390 0.563243 S\n0.786610 0.577625 0.436757 S\n0.577625 0.786610 0.436757 S\n0.650572 0.449273 0.819336 S\n0.449273 0.650572 0.819336 S\n0.349428 0.550727 0.180664 S\n0.550727 0.349428 0.180664 S\n0.425317 0.425317 0.692381 S\n0.574683 0.574683 0.307619 S\n0.000000 0.000000 0.500000 Cl\n",
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],
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"density": 5.181773794710516,
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"volume": 1726.1875844300434,
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"formula_full": "Cs6 Ho21 S34 Cl1",
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"energy": -387.66949724,
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"updated_at": "2021-11-28T01:34:57.429000Z",
"spacegroup": 12
},
{
"id": "mp-774907",
"created_at": "2022-09-04T14:41:32.077690Z",
"structure_string": "K1 Li1 Zn1 S2\n1.0\n-1.990213 1.990213 6.667880\n1.990213 -1.990213 6.667880\n1.990213 1.990213 -6.667880\nK Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Zn\n0.648143 0.648143 0.000000 S\n0.351857 0.351857 0.000000 S\n",
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{
"id": "mp-1067619",
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"structure_string": "Ge4\n1.0\n2.025202 -3.507754 0.000000\n2.025202 3.507754 0.000000\n0.000000 0.000000 10.993359\nGe\n4\ndirect\n0.000000 0.000000 0.477452 Ge\n0.000000 0.000000 0.977452 Ge\n0.666667 0.333333 0.414848 Ge\n0.333333 0.666667 0.914848 Ge\n",
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