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{
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"results": [
{
"id": "mp-1202445",
"created_at": "2022-09-04T14:48:00.392502Z",
"structure_string": "Na4 U4 N12 O44\n1.0\n10.803575 0.000000 0.000000\n0.000000 10.803575 0.000000\n0.000000 0.000000 10.803575\nNa U N O\n4 4 12 44\ndirect\n0.325995 0.325995 0.325995 Na\n0.674005 0.825995 0.174005 Na\n0.825995 0.174005 0.674005 Na\n0.174005 0.674005 0.825995 Na\n0.570780 0.070780 0.429220 U\n0.070780 0.429220 0.570780 U\n0.429220 0.570780 0.070780 U\n0.929220 0.929220 0.929220 U\n0.520581 0.280628 0.596883 N\n0.403117 0.020581 0.219372 N\n0.780628 0.903117 0.479419 N\n0.020581 0.219372 0.403117 N\n0.903117 0.479419 0.780628 N\n0.280628 0.596883 0.520581 N\n0.479419 0.780628 0.903117 N\n0.596883 0.520581 0.280628 N\n0.219372 0.403117 0.020581 N\n0.979419 0.719372 0.096883 N\n0.096883 0.979419 0.719372 N\n0.719372 0.096883 0.979419 N\n0.496564 0.363466 0.668659 O\n0.331341 0.996564 0.136534 O\n0.863466 0.831341 0.503436 O\n0.996564 0.136534 0.331341 O\n0.831341 0.503436 0.863466 O\n0.363466 0.668659 0.496564 O\n0.503436 0.863466 0.831341 O\n0.668659 0.496564 0.363466 O\n0.136534 0.331341 0.996564 O\n0.003436 0.636534 0.168659 O\n0.168659 0.003436 0.636534 O\n0.636534 0.168659 0.003436 O\n0.453572 0.254938 0.500282 O\n0.499718 0.953572 0.245062 O\n0.754938 0.999718 0.546428 O\n0.953572 0.245062 0.499718 O\n0.999718 0.546428 0.754938 O\n0.254938 0.500282 0.453572 O\n0.546428 0.754938 0.999718 O\n0.500282 0.453572 0.254938 O\n0.245062 0.499718 0.953572 O\n0.046428 0.745062 0.000282 O\n0.000282 0.046428 0.745062 O\n0.745062 0.000282 0.046428 O\n0.615295 0.207259 0.609464 O\n0.390536 0.115295 0.292741 O\n0.707259 0.890536 0.384705 O\n0.115295 0.292741 0.390536 O\n0.890536 0.384705 0.707259 O\n0.207259 0.609464 0.615295 O\n0.384705 0.707259 0.890536 O\n0.609464 0.615295 0.207259 O\n0.292741 0.390536 0.115295 O\n0.884705 0.792741 0.109464 O\n0.109464 0.884705 0.792741 O\n0.792741 0.109464 0.884705 O\n0.475151 0.975151 0.524849 O\n0.975151 0.524849 0.475151 O\n0.524849 0.475151 0.975151 O\n0.024849 0.024849 0.024849 O\n0.666887 0.166887 0.333113 O\n0.166887 0.333113 0.666887 O\n0.333113 0.666887 0.166887 O\n0.833113 0.833113 0.833113 O\n",
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"formula_full": "Na4 U4 N12 O44",
"formula_reduced": "NaUN3O11",
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"updated_at": "2021-11-28T01:38:24.343000Z",
"spacegroup": 198
},
{
"id": "mp-1220626",
"created_at": "2022-09-04T14:48:00.564605Z",
"structure_string": "Sc36 In5 Co13\n1.0\n4.397514 6.442893 0.000000\n-4.397514 6.442893 0.000000\n0.000000 5.366537 19.214634\nSc In Co\n36 5 13\ndirect\n0.103471 0.103471 0.839864 Sc\n0.437400 0.437400 0.173440 Sc\n0.788461 0.788461 0.508169 Sc\n0.896529 0.896529 0.160136 Sc\n0.211539 0.211539 0.491831 Sc\n0.562600 0.562600 0.826560 Sc\n0.752906 0.752906 0.015651 Sc\n0.080157 0.080157 0.363798 Sc\n0.421513 0.421513 0.679922 Sc\n0.247094 0.247094 0.984349 Sc\n0.578487 0.578487 0.320078 Sc\n0.919843 0.919843 0.636202 Sc\n0.826543 0.422863 0.937905 Sc\n0.158902 0.758888 0.272482 Sc\n0.488021 0.089977 0.603496 Sc\n0.577137 0.173457 0.062095 Sc\n0.910023 0.511979 0.396504 Sc\n0.241112 0.841098 0.727518 Sc\n0.173457 0.577137 0.062095 Sc\n0.511979 0.910023 0.396504 Sc\n0.841098 0.241112 0.727518 Sc\n0.422863 0.826543 0.937905 Sc\n0.758888 0.158902 0.272482 Sc\n0.089977 0.488021 0.603496 Sc\n0.318398 0.888680 0.103325 Sc\n0.666397 0.211136 0.440969 Sc\n0.984316 0.557440 0.768244 Sc\n0.111320 0.681602 0.896675 Sc\n0.442560 0.015684 0.231756 Sc\n0.788864 0.333603 0.559031 Sc\n0.888680 0.318398 0.103325 Sc\n0.211136 0.666397 0.440969 Sc\n0.557440 0.984316 0.768244 Sc\n0.681602 0.111320 0.896675 Sc\n0.015684 0.442560 0.231756 Sc\n0.333603 0.788864 0.559031 Sc\n0.000000 0.000000 0.000000 In\n0.333475 0.333475 0.333458 In\n0.666525 0.666525 0.666542 In\n0.333148 0.333148 0.832633 In\n0.666852 0.666852 0.167367 In\n0.455190 0.455190 0.956169 Co\n0.788963 0.788963 0.289659 Co\n0.122391 0.122391 0.622251 Co\n0.544810 0.544810 0.043831 Co\n0.877609 0.877609 0.377749 Co\n0.211037 0.211037 0.710341 Co\n0.000000 0.000000 0.500000 Co\n0.752834 0.752834 0.871878 Co\n0.085361 0.085361 0.204829 Co\n0.422870 0.422870 0.540009 Co\n0.247166 0.247166 0.128122 Co\n0.577130 0.577130 0.459991 Co\n0.914639 0.914639 0.795171 Co\n",
"nsites": 54,
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"elements": [
"Sc",
"In",
"Co"
],
"chemical_system": "Co-In-Sc",
"density": 4.5122186200608985,
"density_atomic": 0.04959563990225458,
"volume": 1088.8053890710098,
"volume_molar": 12.142480209689236,
"formula_full": "Sc36 In5 Co13",
"formula_reduced": "Sc36In5Co13",
"formula_anonymous": "A5B13C36",
"energy": -351.65457384,
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"updated_at": "2021-11-28T01:38:24.676000Z",
"spacegroup": 12
},
{
"id": "mp-542899",
"created_at": "2022-09-04T14:48:00.011255Z",
"structure_string": "Sr4 Co4 O10\n1.0\n-2.718980 2.765344 8.141900\n2.718980 -2.765344 8.141900\n2.718980 2.765344 -8.141900\nSr Co O\n4 4 10\ndirect\n0.619293 0.618821 0.016538 Sr\n0.380707 0.397245 0.999528 Sr\n0.102283 0.118821 0.999528 Sr\n0.897717 0.897245 0.016538 Sr\n0.500000 0.010093 0.510093 Co\n0.000000 0.510093 0.510093 Co\n0.686499 0.226760 0.413259 Co\n0.313501 0.726760 0.540261 Co\n0.747529 0.254934 0.009474 O\n0.252471 0.261945 0.507405 O\n0.745460 0.754934 0.507405 O\n0.254540 0.761945 0.009474 O\n0.674442 0.166513 0.552885 O\n0.325558 0.878443 0.492071 O\n0.113627 0.666513 0.492071 O\n0.886373 0.378443 0.552885 O\n0.630965 0.874215 0.005179 O\n0.369035 0.374215 0.243250 O\n",
"nsites": 18,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 5.060196197255114,
"density_atomic": 0.07350748650462843,
"volume": 244.8730171023685,
"volume_molar": 8.192554318424168,
"formula_full": "Sr4 Co4 O10",
"formula_reduced": "Sr2Co2O5",
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"energy": -123.18331332,
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"updated_at": "2021-11-28T01:38:30.660000Z",
"spacegroup": 46
},
{
"id": "mp-1178176",
"created_at": "2022-09-04T14:48:00.029941Z",
"structure_string": "Hg1 Pt1 O2\n1.0\n1.593271 2.779939 0.000000\n-1.593271 2.779939 0.000000\n0.000000 0.078698 7.679097\nHg Pt O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n0.667603 0.667603 0.877136 O\n0.332397 0.332397 0.122864 O\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-O-Pt",
"density": 10.439883698180164,
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"volume": 68.02445435728386,
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"formula_full": "Hg1 Pt1 O2",
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"energy": -18.9748204,
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"spacegroup": 12
},
{
"id": "mp-22737",
"created_at": "2022-09-04T14:48:00.030744Z",
"structure_string": "Sb16 Pb6 S30\n1.0\n5.865340 6.795667 0.000000\n-5.865340 6.795667 0.000000\n0.000000 1.857795 18.102040\nSb Pb S\n16 6 30\ndirect\n0.139537 0.038471 0.072929 Sb\n0.961529 0.860463 0.427071 Sb\n0.860463 0.961529 0.927071 Sb\n0.038471 0.139537 0.572929 Sb\n0.395650 0.882193 0.434641 Sb\n0.117807 0.604350 0.065359 Sb\n0.604350 0.117807 0.565359 Sb\n0.882193 0.395650 0.934641 Sb\n0.504057 0.236893 0.999058 Sb\n0.763107 0.495943 0.500942 Sb\n0.495943 0.763107 0.000942 Sb\n0.236893 0.504057 0.499058 Sb\n0.588656 0.224599 0.341556 Sb\n0.775401 0.411344 0.158444 Sb\n0.411344 0.775401 0.658444 Sb\n0.224599 0.588656 0.841556 Sb\n0.738457 0.881930 0.162135 Pb\n0.118070 0.261543 0.337865 Pb\n0.261543 0.118070 0.837865 Pb\n0.881930 0.738457 0.662135 Pb\n0.374626 0.625374 0.250000 Pb\n0.625374 0.374626 0.750000 Pb\n0.816137 0.183863 0.250000 S\n0.183863 0.816137 0.750000 S\n0.196237 0.934289 0.342355 S\n0.065711 0.803763 0.157645 S\n0.803763 0.065711 0.657645 S\n0.934289 0.196237 0.842355 S\n0.829600 0.111083 0.036518 S\n0.888917 0.170400 0.463482 S\n0.170400 0.888917 0.963482 S\n0.111083 0.829600 0.536518 S\n0.427996 0.950937 0.097187 S\n0.049063 0.572004 0.402813 S\n0.572004 0.049063 0.902813 S\n0.950937 0.427996 0.597187 S\n0.449846 0.605877 0.411196 S\n0.394123 0.550154 0.088804 S\n0.550154 0.394123 0.588804 S\n0.605877 0.449846 0.911196 S\n0.596150 0.946478 0.336971 S\n0.053522 0.403850 0.163029 S\n0.403850 0.053522 0.663029 S\n0.946478 0.596150 0.836971 S\n0.234027 0.294151 0.962749 S\n0.705849 0.765973 0.537251 S\n0.765973 0.705849 0.037251 S\n0.294151 0.234027 0.462749 S\n0.309559 0.399833 0.751304 S\n0.600167 0.690441 0.748696 S\n0.690441 0.600167 0.248696 S\n0.399833 0.309559 0.251304 S\n",
"nsites": 52,
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"elements": [
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],
"chemical_system": "Pb-S-Sb",
"density": 4.779259890765498,
"density_atomic": 0.03603466973665416,
"volume": 1443.0547131421615,
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"formula_full": "Sb16 Pb6 S30",
"formula_reduced": "Sb8(PbS5)3",
"formula_anonymous": "A3B8C15",
"energy": -244.16227080000004,
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"updated_at": "2021-11-28T01:38:30.608000Z",
"spacegroup": 15
},
{
"id": "mp-1173234",
"created_at": "2022-09-04T14:48:00.087674Z",
"structure_string": "Sr6 La14 Mn17 Sn3 O60\n1.0\n4.869585 -0.014505 2.749919\n1.607383 4.583615 2.726694\n-0.100916 -0.354611 55.962658\nSr La Mn Sn O\n6 14 17 3 60\ndirect\n0.262061 0.257650 0.022386 Sr\n0.245109 0.252744 0.123650 Sr\n0.247166 0.243868 0.627027 Sr\n0.250303 0.248680 0.725272 Sr\n0.252872 0.252505 0.823898 Sr\n0.263484 0.265830 0.920504 Sr\n0.246709 0.230870 0.228399 La\n0.742135 0.758245 0.072277 La\n0.243441 0.244921 0.327206 La\n0.752698 0.753716 0.173705 La\n0.246798 0.246967 0.426670 La\n0.742889 0.734658 0.278885 La\n0.241142 0.244947 0.527908 La\n0.747319 0.748226 0.376683 La\n0.744567 0.747918 0.476874 La\n0.741475 0.743116 0.578528 La\n0.748434 0.749179 0.676498 La\n0.750677 0.752067 0.774607 La\n0.756557 0.755147 0.871951 La\n0.765526 0.769819 0.968806 La\n0.502309 0.507764 0.048073 Mn\n0.493496 0.503957 0.150014 Mn\n0.495994 0.490790 0.252077 Mn\n0.996072 0.997066 0.401120 Mn\n0.493819 0.495851 0.351587 Mn\n0.994116 0.999311 0.500765 Mn\n0.496551 0.497040 0.450979 Mn\n0.991647 0.995489 0.301735 Mn\n0.500556 0.494751 0.550761 Mn\n0.498577 0.496588 0.650808 Mn\n0.002173 0.002821 0.799228 Mn\n0.500538 0.499156 0.750009 Mn\n0.994670 0.998618 0.600985 Mn\n0.009249 0.007964 0.897550 Mn\n0.504323 0.504895 0.848601 Mn\n0.999720 0.998684 0.700290 Mn\n0.511757 0.512468 0.946941 Mn\n0.012865 0.008240 0.997722 Sn\n0.991732 0.004380 0.098978 Sn\n0.003872 0.989793 0.200955 Sn\n0.156730 0.334855 0.074721 O\n0.355004 0.760377 0.014602 O\n0.249723 0.808790 0.066854 O\n0.747267 0.196549 0.031362 O\n0.173203 0.328713 0.176087 O\n0.671395 0.247027 0.080721 O\n0.319587 0.758596 0.116085 O\n0.825948 0.698153 0.026790 O\n0.250268 0.811268 0.167762 O\n0.735739 0.187531 0.133413 O\n0.170963 0.309505 0.276392 O\n0.667041 0.232893 0.185305 O\n0.344559 0.749422 0.216784 O\n0.801057 0.683336 0.128293 O\n0.235417 0.814131 0.270113 O\n0.759173 0.148346 0.235465 O\n0.173036 0.317458 0.375730 O\n0.674762 0.236778 0.285167 O\n0.307905 0.751526 0.319059 O\n0.838189 0.653450 0.227084 O\n0.243795 0.820039 0.369003 O\n0.746172 0.173053 0.333542 O\n0.174724 0.319127 0.474686 O\n0.679850 0.240259 0.383719 O\n0.316998 0.752505 0.418037 O\n0.817550 0.674017 0.325682 O\n0.246049 0.821740 0.468333 O\n0.747679 0.173059 0.433173 O\n0.186261 0.314947 0.573763 O\n0.676697 0.246248 0.483199 O\n0.313623 0.750676 0.518324 O\n0.820967 0.675423 0.424886 O\n0.254546 0.811079 0.568841 O\n0.745008 0.173798 0.532755 O\n0.186337 0.311462 0.675368 O\n0.706262 0.250446 0.579699 O\n0.308063 0.745113 0.619583 O\n0.817212 0.679086 0.523544 O\n0.251969 0.795557 0.670676 O\n0.747243 0.185358 0.631628 O\n0.187996 0.312217 0.774897 O\n0.705258 0.249493 0.679418 O\n0.307266 0.750069 0.719237 O\n0.797134 0.700276 0.623531 O\n0.253254 0.796133 0.770239 O\n0.747107 0.188681 0.731170 O\n0.197445 0.319188 0.873198 O\n0.709193 0.246901 0.779251 O\n0.314672 0.754804 0.818076 O\n0.794360 0.704770 0.724370 O\n0.261019 0.794180 0.869181 O\n0.754803 0.190799 0.829872 O\n0.186522 0.338130 0.973335 O\n0.711836 0.257047 0.877203 O\n0.320029 0.754801 0.917365 O\n0.801264 0.706299 0.824611 O\n0.269573 0.814634 0.966030 O\n0.750114 0.208027 0.929045 O\n0.697840 0.257513 0.978297 O\n0.803942 0.707648 0.924528 O\n",
"nsites": 100,
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"elements": [
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"O"
],
"chemical_system": "La-Mn-O-Sn-Sr",
"density": 6.24666298245062,
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"volume": 1254.8252794862613,
"volume_molar": 7.5567344622726065,
"formula_full": "Sr6 La14 Mn17 Sn3 O60",
"formula_reduced": "Sr6La14Mn17(SnO20)3",
"formula_anonymous": "A3B6C14D17E60",
"energy": -829.2295511400001,
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"updated_at": "2021-11-28T01:38:25.921000Z",
"spacegroup": 1
},
{
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