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{
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"results": [
{
"id": "mp-1202778",
"created_at": "2022-09-04T14:41:55.995020Z",
"structure_string": "K6 Cd32\n1.0\n9.492957 0.000000 0.000000\n0.000000 9.492957 0.000000\n0.000000 0.000000 11.572590\nK Cd\n6 32\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.162167 K\n0.500000 0.500000 0.837833 K\n0.000000 0.000000 0.337833 K\n0.000000 0.000000 0.662167 K\n0.155258 0.359825 0.687371 Cd\n0.844742 0.640175 0.687371 Cd\n0.844742 0.359825 0.312629 Cd\n0.155258 0.640175 0.312629 Cd\n0.344742 0.140175 0.812629 Cd\n0.655258 0.859825 0.812629 Cd\n0.655258 0.140175 0.187371 Cd\n0.344742 0.859825 0.187371 Cd\n0.359825 0.155258 0.312629 Cd\n0.640175 0.844742 0.312629 Cd\n0.359825 0.844742 0.687371 Cd\n0.640175 0.155258 0.687371 Cd\n0.140175 0.344742 0.187371 Cd\n0.859825 0.655258 0.187371 Cd\n0.140175 0.655258 0.812629 Cd\n0.859825 0.344742 0.812629 Cd\n0.648730 0.855025 0.562594 Cd\n0.351270 0.144975 0.562594 Cd\n0.351270 0.855025 0.437406 Cd\n0.648730 0.144975 0.437406 Cd\n0.851270 0.644975 0.937406 Cd\n0.148730 0.355025 0.937406 Cd\n0.148730 0.644975 0.062594 Cd\n0.851270 0.355025 0.062594 Cd\n0.855025 0.648730 0.437406 Cd\n0.144975 0.351270 0.437406 Cd\n0.855025 0.351270 0.562594 Cd\n0.144975 0.648730 0.562594 Cd\n0.644975 0.851270 0.062594 Cd\n0.355025 0.148730 0.062594 Cd\n0.644975 0.148730 0.937406 Cd\n0.355025 0.851270 0.937406 Cd\n",
"nsites": 38,
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"elements": [
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"spacegroup": 126
},
{
"id": "mp-807730",
"created_at": "2022-09-04T14:46:37.291610Z",
"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.778587 0.000000 0.000000\n-1.919355 9.081692 0.000000\n-1.947782 -4.627617 7.814343\nLi V P H O\n2 4 8 4 32\ndirect\n0.643850 0.171029 0.459246 Li\n0.856067 0.469756 0.658321 Li\n0.495774 0.770621 0.240263 V\n0.012515 0.006711 0.499985 V\n0.998065 0.499721 0.997653 V\n0.495516 0.242768 0.753516 V\n0.732004 0.100200 0.253098 P\n0.735039 0.598107 0.752017 P\n0.767444 0.204434 0.644261 P\n0.765407 0.706665 0.146409 P\n0.231934 0.794850 0.354490 P\n0.233942 0.302472 0.850775 P\n0.268412 0.898646 0.750080 P\n0.264104 0.417260 0.238336 P\n0.487205 0.748946 0.759397 H\n0.507731 0.252152 0.242309 H\n0.012637 0.522962 0.484248 H\n0.984010 0.975114 0.017274 H\n0.947943 0.824577 0.123932 O\n0.655440 0.775630 0.176603 O\n0.366757 0.152480 0.014039 O\n0.323405 0.615229 0.219680 O\n0.848120 0.819382 0.625944 O\n0.839820 0.315810 0.126006 O\n0.670036 0.901665 0.271828 O\n0.635288 0.343255 0.485986 O\n0.565842 0.781563 0.677047 O\n0.553153 0.273015 0.179597 O\n0.340852 0.744744 0.314907 O\n0.171672 0.133802 0.194294 O\n0.189992 0.635350 0.697299 O\n0.936271 0.344757 0.613491 O\n0.869692 0.409007 0.928007 O\n0.862279 0.898580 0.430574 O\n0.136923 0.092908 0.575170 O\n0.127679 0.598149 0.067904 O\n0.053523 0.669143 0.378547 O\n0.826862 0.865024 0.803147 O\n0.812181 0.368827 0.310769 O\n0.656769 0.258077 0.680923 O\n0.447202 0.721341 0.825419 O\n0.440992 0.241568 0.314385 O\n0.365027 0.655915 0.509764 O\n0.318787 0.097224 0.728257 O\n0.157981 0.676319 0.877826 O\n0.151160 0.204582 0.363754 O\n0.691364 0.402210 0.770852 O\n0.635857 0.842250 0.991547 O\n0.352024 0.237982 0.823129 O\n0.057452 0.180267 0.876676 O\n",
"nsites": 50,
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"elements": [
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],
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"density_atomic": 0.09057535644626609,
"volume": 552.026533063246,
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"formula_full": "Li2 V4 P8 H4 O32",
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{
"id": "mp-974635",
"created_at": "2022-09-04T14:44:21.282812Z",
"structure_string": "Rb6 Ca2\n1.0\n4.724719 -8.183454 0.000000\n4.724719 8.183454 0.000000\n0.000000 0.000000 7.672290\nRb Ca\n6 2\ndirect\n0.171847 0.343694 0.250000 Rb\n0.656306 0.828153 0.250000 Rb\n0.171847 0.828153 0.250000 Rb\n0.828153 0.656306 0.750000 Rb\n0.343694 0.171847 0.750000 Rb\n0.828153 0.171847 0.750000 Rb\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n",
"nsites": 8,
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"volume": 593.2908294995402,
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"formula_full": "Rb6 Ca2",
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"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "mp-1097074",
"created_at": "2022-09-04T14:46:42.829371Z",
"structure_string": "Li1 Ca1 Tl2\n1.0\n-5.939552 6.510142 9.535240\n5.939552 -6.510142 9.535240\n5.939552 6.510142 -9.535240\nLi Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.228377 0.228377 Tl\n0.000000 0.771623 0.771623 Tl\n",
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"volume": 1474.8089699875447,
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"formula_full": "Li1 Ca1 Tl2",
"formula_reduced": "LiCaTl2",
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{
"id": "mp-1080043",
"created_at": "2022-09-04T14:48:03.619925Z",
"structure_string": "K8\n1.0\n5.431928 0.000000 0.000000\n0.000000 10.817241 0.000000\n0.000000 0.000000 10.921951\nK\n8\ndirect\n0.250000 0.029858 0.838722 K\n0.250000 0.529858 0.661278 K\n0.750000 0.970142 0.161278 K\n0.750000 0.470142 0.338722 K\n0.250000 0.153668 0.432354 K\n0.250000 0.653668 0.067646 K\n0.750000 0.846332 0.567646 K\n0.750000 0.346332 0.932354 K\n",
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"volume": 641.7571768187781,
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"formula_full": "K8",
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"energy": -8.37420842,
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"spacegroup": 62
},
{
"id": "mp-1096214",
"created_at": "2022-09-04T14:42:24.034429Z",
"structure_string": "Ca2 Mg1 Pb1\n1.0\n-6.482277 6.656142 9.405301\n6.482277 -6.656142 9.405301\n6.482277 6.656142 -9.405301\nCa Mg Pb\n2 1 1\ndirect\n0.000000 0.268108 0.268108 Ca\n0.000000 0.731892 0.731892 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1623.2404410037243,
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"formula_full": "Ca2 Mg1 Pb1",
"formula_reduced": "Ca2MgPb",
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"spacegroup": 71
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{
"id": "mp-1189701",
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"structure_string": "Sr4 Hg12\n1.0\n0.000000 9.931218 0.000000\n0.000000 0.000000 6.867008\n6.790568 0.000000 0.000000\nSr Hg\n4 12\ndirect\n0.250000 0.033095 0.008891 Sr\n0.250000 0.466905 0.508891 Sr\n0.750000 0.966905 0.991109 Sr\n0.750000 0.533095 0.491109 Sr\n0.990164 0.230450 0.732366 Hg\n0.509836 0.269550 0.232366 Hg\n0.490164 0.769550 0.267634 Hg\n0.009836 0.730450 0.767634 Hg\n0.009836 0.769550 0.267634 Hg\n0.490164 0.730450 0.767634 Hg\n0.509836 0.230450 0.732366 Hg\n0.990164 0.269550 0.232366 Hg\n0.250000 0.971576 0.512990 Hg\n0.250000 0.528424 0.012990 Hg\n0.750000 0.028424 0.487010 Hg\n0.750000 0.471576 0.987010 Hg\n",
"nsites": 16,
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"elements": [
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"density": 9.887759559450572,
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"volume": 463.1014822884646,
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"formula_full": "Sr4 Hg12",
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{
"id": "mp-1094830",
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"structure_string": "Mg1 Cd5\n1.0\n1.598064 5.894294 0.000000\n-1.598064 5.894294 0.000000\n0.000000 2.024227 7.088267\nMg Cd\n1 5\ndirect\n0.611629 0.611629 0.276264 Mg\n0.001195 0.001195 0.003695 Cd\n0.332226 0.332226 0.333150 Cd\n0.945915 0.945915 0.609462 Cd\n0.666648 0.666648 0.662514 Cd\n0.275720 0.275720 0.948249 Cd\n",
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"volume": 133.5352814387946,
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"formula_full": "Mg1 Cd5",
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{
"id": "mp-1097338",
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"structure_string": "Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
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"elements": [
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"density_atomic": 0.002546284195575974,
"volume": 1570.9165563489637,
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"formula_full": "Ca2 Zn1 Pb1",
"formula_reduced": "Ca2ZnPb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:44.191000Z",
"spacegroup": 71
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{
"id": "mp-1009651",
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"structure_string": "Ca1 Hg2\n1.0\n2.702903 -4.681565 0.000000\n2.702903 4.681565 0.000000\n0.000000 0.000000 3.589869\nCa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.946832 Hg\n0.333333 0.666667 0.053168 Hg\n",
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"volume": 90.8510841775263,
"volume_molar": 18.237267237189073,
"formula_full": "Ca1 Hg2",
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{
"id": "mp-1180961",
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"structure_string": "K2\n1.0\n-2.213986 2.213986 7.907082\n2.213986 -2.213986 7.907082\n2.213986 2.213986 -7.907082\nK\n2\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
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{
"id": "mp-1097521",
"created_at": "2022-09-04T14:45:22.026942Z",
"structure_string": "Ca2 Tl1 Ga1\n1.0\n-6.054758 7.338699 10.157767\n6.054758 -7.338699 10.157767\n6.054758 7.338699 -10.157767\nCa Tl Ga\n2 1 1\ndirect\n0.000000 0.241451 0.241451 Ca\n0.000000 0.758549 0.758549 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
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"volume": 1805.4027640376207,
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"formula_full": "Ca2 Tl1 Ga1",
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}
]
}