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{
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"results": [
{
"id": "mp-779630",
"created_at": "2022-09-04T14:39:44.001345Z",
"structure_string": "Li6 V4 Si4 O20\n1.0\n4.554476 0.000000 0.000000\n0.000000 8.996278 0.000000\n0.000000 0.000000 9.287556\nLi V Si O\n6 4 4 20\ndirect\n0.615838 0.000000 0.004824 Li\n0.384162 0.000000 0.504824 Li\n0.000756 0.253597 0.002515 Li\n0.999244 0.253597 0.502515 Li\n0.000756 0.746403 0.002515 Li\n0.999244 0.746403 0.502515 Li\n0.957397 0.000000 0.290599 V\n0.042603 0.000000 0.790599 V\n0.575575 0.500000 0.496380 V\n0.424425 0.500000 0.996380 V\n0.500162 0.251099 0.248172 Si\n0.499838 0.251099 0.748172 Si\n0.499838 0.748901 0.748172 Si\n0.500162 0.748901 0.248172 Si\n0.803444 0.000000 0.455168 O\n0.196556 0.000000 0.955168 O\n0.744475 0.145937 0.164673 O\n0.255525 0.145937 0.664673 O\n0.259534 0.150375 0.336133 O\n0.740466 0.150375 0.836133 O\n0.316557 0.351606 0.131987 O\n0.683443 0.351606 0.631987 O\n0.687812 0.353329 0.361859 O\n0.312188 0.353329 0.861859 O\n0.216892 0.500000 0.496106 O\n0.783108 0.500000 0.996106 O\n0.687812 0.646671 0.361859 O\n0.312188 0.646671 0.861859 O\n0.316557 0.648394 0.131987 O\n0.683443 0.648394 0.631987 O\n0.259534 0.849625 0.336133 O\n0.740466 0.849625 0.836133 O\n0.255525 0.854063 0.664673 O\n0.744475 0.854063 0.164673 O\n",
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],
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"volume": 380.54211768865184,
"volume_molar": 6.740229993616316,
"formula_full": "Li6 V4 Si4 O20",
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"updated_at": "2021-11-28T01:34:35.924000Z",
"spacegroup": 26
},
{
"id": "mp-1044487",
"created_at": "2022-09-04T14:41:27.034137Z",
"structure_string": "Cu13 Si2 Sb2 O28\n1.0\n5.256183 -0.178432 1.270032\n1.348065 7.941981 0.330479\n-0.148066 -0.081273 11.960317\nCu Si Sb O\n13 2 2 28\ndirect\n0.952641 0.621152 0.678877 Cu\n0.667277 0.361473 0.148006 Cu\n0.372490 0.374883 0.679870 Cu\n0.047236 0.377068 0.321515 Cu\n0.336042 0.636880 0.852361 Cu\n0.281908 0.999598 0.436947 Cu\n0.186989 0.637906 0.148543 Cu\n0.000231 0.999867 0.999870 Cu\n0.421106 0.999385 0.157795 Cu\n0.815084 0.360218 0.851607 Cu\n0.627967 0.623113 0.320577 Cu\n0.579656 0.000018 0.842469 Cu\n0.719860 0.998555 0.563538 Cu\n0.220889 0.319970 0.001090 Si\n0.779476 0.679552 0.999335 Si\n0.849183 0.999703 0.301874 Sb\n0.152650 0.997787 0.698705 Sb\n0.712041 0.392854 0.297178 O\n0.268457 0.422436 0.416990 O\n0.910891 0.341422 0.000113 O\n0.296139 0.112358 0.003290 O\n0.732441 0.575786 0.582932 O\n0.286912 0.605053 0.703502 O\n0.020114 0.118526 0.568167 O\n0.981101 0.879062 0.432488 O\n0.703536 0.887139 0.998215 O\n0.122497 0.877632 0.169203 O\n0.273217 0.393646 0.119934 O\n0.986885 0.607007 0.296233 O\n0.415342 0.879174 0.567783 O\n0.709537 0.120806 0.168546 O\n0.606214 0.607417 0.118110 O\n0.088298 0.656888 0.999911 O\n0.293616 0.878471 0.831697 O\n0.879376 0.118980 0.831113 O\n0.587462 0.119184 0.432780 O\n0.135321 0.139641 0.307257 O\n0.867106 0.857928 0.692812 O\n0.393623 0.390662 0.882215 O\n0.445658 0.137087 0.694859 O\n0.686539 0.420567 0.583297 O\n0.726131 0.606032 0.880477 O\n0.555660 0.861206 0.305756 O\n0.013686 0.391255 0.703455 O\n0.312541 0.578574 0.416214 O\n",
"nsites": 45,
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"elements": [
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"Sb",
"O"
],
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"density": 5.188653322688472,
"density_atomic": 0.08934622370182584,
"volume": 503.6586677706492,
"volume_molar": 6.7402297606865,
"formula_full": "Cu13 Si2 Sb2 O28",
"formula_reduced": "Cu13Si2(SbO14)2",
"formula_anonymous": "A2B2C13D28",
"energy": -251.38841603000003,
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"updated_at": "2021-11-28T01:35:16.305000Z",
"spacegroup": 12
},
{
"id": "mp-780808",
"created_at": "2022-09-04T14:47:57.506266Z",
"structure_string": "Li4 V6 Te2 O16\n1.0\n3.013553 -5.219626 0.000000\n3.013553 5.219626 0.000000\n0.000000 0.000000 9.961513\nLi V Te O\n4 6 2 16\ndirect\n0.333333 0.666667 0.902970 Li\n0.000000 0.000000 0.991615 Li\n0.000000 0.000000 0.491615 Li\n0.666667 0.333333 0.402970 Li\n0.168137 0.826705 0.216461 V\n0.173295 0.341432 0.216461 V\n0.658568 0.831863 0.216461 V\n0.341432 0.173295 0.716461 V\n0.831863 0.658568 0.716461 V\n0.826705 0.168137 0.716461 V\n0.333333 0.666667 0.492550 Te\n0.666667 0.333333 0.992550 Te\n0.167162 0.848404 0.595884 O\n0.030513 0.524184 0.337466 O\n0.333333 0.666667 0.109421 O\n0.000000 0.000000 0.307887 O\n0.000000 0.000000 0.807887 O\n0.151596 0.318757 0.595884 O\n0.493671 0.969487 0.337466 O\n0.475816 0.506329 0.337466 O\n0.318757 0.151596 0.095884 O\n0.681243 0.832838 0.595884 O\n0.506329 0.475816 0.837466 O\n0.524184 0.030513 0.837466 O\n0.666667 0.333333 0.609421 O\n0.832838 0.681243 0.095884 O\n0.969487 0.493671 0.837466 O\n0.848404 0.167162 0.095884 O\n",
"nsites": 28,
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"elements": [
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"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.475364385129272,
"density_atomic": 0.08934793301659537,
"volume": 313.38162008514865,
"volume_molar": 6.740100813391459,
"formula_full": "Li4 V6 Te2 O16",
"formula_reduced": "Li2V3TeO8",
"formula_anonymous": "AB2C3D8",
"energy": -211.10444085,
"energy_per_atom": -7.539444316071429,
"energy_above_hull": null,
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"energy_uncorrected": -189.91244085,
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"updated_at": "2021-11-28T01:38:18.871000Z",
"spacegroup": 159
},
{
"id": "mp-17841",
"created_at": "2022-09-04T14:39:49.184824Z",
"structure_string": "Mg8 Nb4 O18\n1.0\n2.612729 -4.525380 0.000000\n2.612729 4.525380 0.000000\n0.000000 0.000000 14.198958\nMg Nb O\n8 4 18\ndirect\n0.666667 0.333333 0.516594 Mg\n0.333333 0.666667 0.983406 Mg\n0.333333 0.666667 0.483406 Mg\n0.666667 0.333333 0.016594 Mg\n0.666667 0.333333 0.307807 Mg\n0.333333 0.666667 0.192193 Mg\n0.333333 0.666667 0.692193 Mg\n0.666667 0.333333 0.807807 Mg\n0.000000 0.000000 0.358009 Nb\n0.000000 0.000000 0.141991 Nb\n0.000000 0.000000 0.641991 Nb\n0.000000 0.000000 0.858009 Nb\n0.347567 0.028990 0.915584 O\n0.971010 0.318576 0.915584 O\n0.681424 0.652433 0.915584 O\n0.318576 0.971010 0.584416 O\n0.652433 0.681424 0.584416 O\n0.028990 0.347567 0.584416 O\n0.652433 0.971010 0.084416 O\n0.028990 0.681424 0.084416 O\n0.318576 0.347567 0.084416 O\n0.681424 0.028990 0.415584 O\n0.347567 0.318576 0.415584 O\n0.971010 0.652433 0.415584 O\n0.290196 0.000000 0.250000 O\n0.000000 0.290196 0.250000 O\n0.709804 0.709804 0.250000 O\n0.709804 0.000000 0.750000 O\n0.000000 0.709804 0.750000 O\n0.290196 0.290196 0.750000 O\n",
"nsites": 30,
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"elements": [
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"Nb",
"O"
],
"chemical_system": "Mg-Nb-O",
"density": 4.223756815142231,
"density_atomic": 0.08934810904945051,
"volume": 335.7653599965527,
"volume_molar": 6.740087534104379,
"formula_full": "Mg8 Nb4 O18",
"formula_reduced": "Mg4Nb2O9",
"formula_anonymous": "A2B4C9",
"energy": -235.26834967,
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"updated_at": "2021-11-28T01:34:30.396000Z",
"spacegroup": 165
},
{
"id": "mp-554704",
"created_at": "2022-09-04T14:41:50.139455Z",
"structure_string": "Ti4 P4 H4 O20\n1.0\n7.163770 0.000000 0.000000\n0.000000 7.485010 0.000000\n0.000000 3.380392 6.679235\nTi P H O\n4 4 4 20\ndirect\n0.726284 0.281814 0.972728 Ti\n0.224395 0.280689 0.470287 Ti\n0.724395 0.719311 0.529713 Ti\n0.226284 0.718186 0.027272 Ti\n0.362632 0.998656 0.249822 P\n0.862632 0.001344 0.750178 P\n0.111844 0.500737 0.749138 P\n0.611844 0.499263 0.250862 P\n0.472576 0.955338 0.705040 H\n0.972576 0.044662 0.294960 H\n0.925604 0.926549 0.176943 H\n0.425604 0.073451 0.823057 H\n0.364313 0.004122 0.753856 O\n0.235831 0.901993 0.150751 O\n0.650312 0.500903 0.751435 O\n0.986226 0.841528 0.914531 O\n0.987408 0.158965 0.586318 O\n0.230117 0.093109 0.347420 O\n0.988430 0.338175 0.911496 O\n0.735831 0.098007 0.849249 O\n0.150312 0.499097 0.248565 O\n0.488430 0.661825 0.088504 O\n0.864313 0.995878 0.246144 O\n0.736880 0.597290 0.349576 O\n0.486226 0.158472 0.085469 O\n0.238039 0.599136 0.846573 O\n0.986808 0.663815 0.589148 O\n0.486808 0.336185 0.410852 O\n0.730117 0.906891 0.652580 O\n0.236880 0.402710 0.650424 O\n0.738039 0.400864 0.153427 O\n0.487408 0.841035 0.413682 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 2.964485356406115,
"density_atomic": 0.08934890525066905,
"volume": 358.14652580491895,
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"formula_full": "Ti4 P4 H4 O20",
"formula_reduced": "TiPHO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 4
},
{
"id": "mp-1044664",
"created_at": "2022-09-04T14:43:10.266159Z",
"structure_string": "Ti4 Zn2 O8\n1.0\n5.381701 -2.978196 0.000000\n5.381701 2.978196 0.000000\n3.733587 0.000000 4.888014\nTi Zn O\n4 2 8\ndirect\n0.246488 0.246488 0.246488 Ti\n0.615780 0.139491 0.615780 Ti\n0.615780 0.615780 0.139491 Ti\n0.139491 0.615780 0.615780 Ti\n0.995200 0.995200 0.995200 Zn\n0.631360 0.631360 0.631360 Zn\n0.861934 0.378960 0.378960 O\n0.378960 0.378960 0.861934 O\n0.378960 0.861934 0.378960 O\n0.368385 0.368385 0.368385 O\n0.864252 0.864252 0.864252 O\n0.875968 0.401480 0.875968 O\n0.875968 0.875968 0.401480 O\n0.401480 0.875968 0.875968 O\n",
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"density": 4.771969225259337,
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"volume": 156.68783436357828,
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"formula_full": "Ti4 Zn2 O8",
"formula_reduced": "Ti2ZnO4",
"formula_anonymous": "AB2C4",
"energy": -113.01672141,
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"updated_at": "2021-11-28T01:36:05.435000Z",
"spacegroup": 160
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{
"id": "mp-1022729",
"created_at": "2022-09-04T14:48:25.029534Z",
"structure_string": "Na2 H6 Ir1\n1.0\n0.000000 3.692942 3.692942\n3.692942 0.000000 3.692942\n3.692942 3.692942 0.000000\nNa H Ir\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.771629 0.771629 0.228371 H\n0.228371 0.771629 0.228371 H\n0.771629 0.228371 0.228371 H\n0.228371 0.228371 0.771629 H\n0.771629 0.228371 0.771629 H\n0.228371 0.771629 0.771629 H\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
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],
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"volume": 100.72736107788711,
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"formula_full": "Na2 H6 Ir1",
"formula_reduced": "Na2H6Ir",
"formula_anonymous": "AB2C6",
"energy": -33.66411828,
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"spacegroup": 225
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{
"id": "mp-1041914",
"created_at": "2022-09-04T14:40:03.884003Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n-3.012599 3.012751 4.315846\n3.012599 -3.012751 4.315846\n3.012599 3.012751 -4.315846\nMg Mn O\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.612638 0.862638 0.750000 Mn\n0.387362 0.137362 0.250000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.254992 0.274911 0.980081 O\n0.247445 0.278007 0.530562 O\n0.794830 0.274911 0.519919 O\n0.247445 0.716883 0.969438 O\n0.752555 0.283117 0.030562 O\n0.752555 0.721993 0.469438 O\n0.205170 0.725089 0.480081 O\n0.745008 0.725089 0.019919 O\n",
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{
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"structure_string": "Li2 V1 F4\n1.0\n-2.086303 2.086303 4.499705\n2.086303 -2.086303 4.499705\n2.086303 2.086303 -4.499705\nLi V F\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.765789 0.765789 0.000000 F\n0.234211 0.234211 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:42:09.011018Z",
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"formula_full": "Li4 Fe5 Sn3 O16",
"formula_reduced": "Li4Fe5Sn3O16",
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},
{
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"formula_full": "Mg6 Co1 Bi1 O8",
"formula_reduced": "Mg6CoBiO8",
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"spacegroup": 123
},
{
"id": "mp-752742",
"created_at": "2022-09-04T14:39:43.389200Z",
"structure_string": "Li2 Cu4 F8\n1.0\n9.862761 0.000000 0.000000\n0.000000 3.018575 0.000000\n0.000000 0.519730 5.262769\nLi Cu F\n2 4 8\ndirect\n0.250000 0.962945 0.221817 Li\n0.750000 0.037055 0.778183 Li\n0.074606 0.641341 0.734936 Cu\n0.425394 0.641341 0.734936 Cu\n0.574606 0.358659 0.265064 Cu\n0.925394 0.358659 0.265064 Cu\n0.616961 0.675556 0.581464 F\n0.883039 0.675556 0.581464 F\n0.250000 0.573794 0.929295 F\n0.750000 0.426206 0.070705 F\n0.116961 0.324444 0.418536 F\n0.383039 0.324444 0.418536 F\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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],
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"volume": 156.68044195072676,
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"formula_full": "Li2 Cu4 F8",
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"updated_at": "2021-11-28T01:34:38.689000Z",
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]
}