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{
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"results": [
{
"id": "mp-569849",
"created_at": "2022-09-04T14:39:38.650866Z",
"structure_string": "Li30 Si8\n1.0\n-5.283024 5.283024 5.283024\n5.283024 -5.283024 5.283024\n5.283024 5.283024 -5.283024\nLi Si\n30 8\ndirect\n0.340370 0.809529 0.723016 Li\n0.125000 0.750000 0.875000 Li\n0.723016 0.340370 0.809529 Li\n0.617354 0.776984 0.586513 Li\n0.030841 0.913487 0.690471 Li\n0.086513 0.276984 0.117354 Li\n0.913487 0.690471 0.030841 Li\n0.276984 0.117354 0.086513 Li\n0.190471 0.413487 0.530841 Li\n0.776984 0.586513 0.617354 Li\n0.690471 0.030841 0.913487 Li\n0.530841 0.190471 0.413487 Li\n0.625000 0.375000 0.250000 Li\n0.469159 0.159630 0.882646 Li\n0.875000 0.125000 0.750000 Li\n0.969159 0.382646 0.659630 Li\n0.413487 0.530841 0.190471 Li\n0.117354 0.086513 0.276984 Li\n0.309529 0.840370 0.223016 Li\n0.750000 0.875000 0.125000 Li\n0.882646 0.469159 0.159630 Li\n0.586513 0.617354 0.776984 Li\n0.382646 0.659630 0.969159 Li\n0.809529 0.723016 0.340370 Li\n0.659630 0.969159 0.382646 Li\n0.159630 0.882646 0.469159 Li\n0.223016 0.309529 0.840370 Li\n0.375000 0.250000 0.625000 Li\n0.840370 0.223016 0.309529 Li\n0.250000 0.625000 0.375000 Li\n0.500000 0.000000 0.584856 Si\n0.584856 0.500000 0.000000 Si\n0.500000 0.000000 0.084856 Si\n0.000000 0.084856 0.500000 Si\n0.000000 0.584856 0.500000 Si\n0.084856 0.500000 0.000000 Si\n0.415144 0.415144 0.415144 Si\n0.915144 0.915144 0.915144 Si\n",
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"elements": [
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"spacegroup": 220
},
{
"id": "mp-1247784",
"created_at": "2022-09-04T14:43:24.599001Z",
"structure_string": "Cs2 Se1\n1.0\n-2.752410 -4.767460 0.000292\n-2.752533 4.767532 0.000001\n0.000585 0.000336 -6.626414\nCs Se\n2 1\ndirect\n0.333379 0.666690 0.239019 Cs\n0.666621 0.333310 0.760981 Cs\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
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"density": 3.2919859867426093,
"density_atomic": 0.017250414214590563,
"volume": 173.90886750200883,
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"formula_full": "Cs2 Se1",
"formula_reduced": "Cs2Se",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:17.776000Z",
"spacegroup": 164
},
{
"id": "mp-1222060",
"created_at": "2022-09-04T14:45:09.329093Z",
"structure_string": "Mg4 Al4 Ag4\n1.0\n-2.622031 -4.713592 0.000000\n-5.394776 0.086776 0.000000\n0.000000 0.000000 -8.736018\nMg Al Ag\n4 4 4\ndirect\n0.331459 0.331503 0.564635 Mg\n0.666088 0.666091 0.435548 Mg\n0.666088 0.666091 0.064452 Mg\n0.331459 0.331503 0.935365 Mg\n0.836959 0.837036 0.750000 Al\n0.179447 0.652841 0.250000 Al\n0.652940 0.179376 0.250000 Al\n0.170218 0.170128 0.250000 Al\n0.989238 0.989159 0.488339 Ag\n0.989238 0.989159 0.011661 Ag\n0.839266 0.347612 0.750000 Ag\n0.347601 0.839504 0.750000 Ag\n",
"nsites": 12,
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"elements": [
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"density": 4.71651344898716,
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"volume": 224.13391920810818,
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"formula_full": "Mg4 Al4 Ag4",
"formula_reduced": "MgAlAg",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:53.349000Z",
"spacegroup": 38
},
{
"id": "mp-1229155",
"created_at": "2022-09-04T14:44:59.923890Z",
"structure_string": "Ag4 Hg4 S4 Br1 Cl3\n1.0\n4.538843 0.000000 0.000000\n0.013562 6.980989 0.000000\n0.011766 0.062472 13.284895\nAg Hg S Br Cl\n4 4 4 1 3\ndirect\n0.012024 0.790099 0.457361 Ag\n0.011588 0.211102 0.544301 Ag\n0.987252 0.291745 0.043733 Ag\n0.987558 0.705153 0.949779 Ag\n0.501077 0.627531 0.244061 Hg\n0.504748 0.370571 0.757356 Hg\n0.495424 0.128734 0.262097 Hg\n0.496558 0.871745 0.739496 Hg\n0.509305 0.861151 0.378621 S\n0.509056 0.137599 0.623569 S\n0.489144 0.362789 0.127331 S\n0.491765 0.635538 0.872781 S\n0.004816 0.874179 0.127765 Br\n0.000060 0.133247 0.870030 Cl\n0.999898 0.371000 0.372063 Cl\n0.999726 0.627817 0.629655 Cl\n",
"nsites": 16,
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"elements": [
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],
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"density": 6.10800835172548,
"density_atomic": 0.038010163886164086,
"volume": 420.9400424559624,
"volume_molar": 15.843501169938635,
"formula_full": "Ag4 Hg4 S4 Br1 Cl3",
"formula_reduced": "Ag4Hg4S4BrCl3",
"formula_anonymous": "AB3C4D4E4",
"energy": -45.89547896,
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"spacegroup": 1
},
{
"id": "mp-1218592",
"created_at": "2022-09-04T14:39:45.106148Z",
"structure_string": "Sr6 In6 Ga4\n1.0\n2.460471 -5.900780 0.000000\n2.460471 5.900780 0.000000\n0.000000 0.000000 16.401599\nSr In Ga\n6 6 4\ndirect\n0.912107 0.087893 0.390706 Sr\n0.087893 0.912107 0.609294 Sr\n0.912107 0.087893 0.109294 Sr\n0.087893 0.912107 0.890706 Sr\n0.630352 0.369648 0.250000 Sr\n0.369648 0.630352 0.750000 Sr\n0.337953 0.662047 0.250000 In\n0.662047 0.337953 0.750000 In\n0.620702 0.379298 0.464981 In\n0.379298 0.620702 0.535019 In\n0.620702 0.379298 0.035019 In\n0.379298 0.620702 0.964981 In\n0.792499 0.207501 0.900349 Ga\n0.207501 0.792499 0.099651 Ga\n0.792499 0.207501 0.599651 Ga\n0.207501 0.792499 0.400349 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"In",
"Ga"
],
"chemical_system": "Ga-In-Sr",
"density": 5.207344152850725,
"density_atomic": 0.03359511434470742,
"volume": 476.25972740648353,
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"formula_full": "Sr6 In6 Ga4",
"formula_reduced": "Sr3In3Ga2",
"formula_anonymous": "A2B3C3",
"energy": -45.89357048,
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"updated_at": "2021-11-28T01:34:27.520000Z",
"spacegroup": 63
},
{
"id": "mp-1074891",
"created_at": "2022-09-04T14:44:52.988889Z",
"structure_string": "Mg14 Si8\n1.0\n3.549806 0.000000 0.000000\n0.000000 8.512806 0.000000\n0.000000 0.584741 14.816505\nMg Si\n14 8\ndirect\n0.500000 0.131572 0.886240 Mg\n0.500000 0.504259 0.506986 Mg\n0.000000 0.347017 0.370601 Mg\n0.000000 0.595382 0.663519 Mg\n0.500000 0.667497 0.824539 Mg\n0.500000 0.222268 0.218953 Mg\n0.000000 0.759864 0.413187 Mg\n0.000000 0.212398 0.571051 Mg\n0.000000 0.272719 0.039367 Mg\n0.000000 0.846488 0.947711 Mg\n0.500000 0.571090 0.033502 Mg\n0.500000 0.985528 0.082945 Mg\n0.500000 0.867093 0.583418 Mg\n0.500000 0.059889 0.405969 Mg\n0.000000 0.770137 0.156382 Si\n0.000000 0.916544 0.752662 Si\n0.500000 0.366419 0.745268 Si\n0.500000 0.566422 0.295130 Si\n0.000000 0.485326 0.187258 Si\n0.000000 0.407829 0.853792 Si\n0.500000 0.090160 0.706633 Si\n0.500000 0.857701 0.258498 Si\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.0952654804026434,
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"volume": 447.7371467274198,
"volume_molar": 12.25607327760589,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -63.10265798,
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"updated_at": "2021-11-28T01:36:43.505000Z",
"spacegroup": 6
},
{
"id": "mp-1023140",
"created_at": "2022-09-04T14:45:43.470597Z",
"structure_string": "Ce1 Mg6 Mn1\n1.0\n6.846974 -0.304932 0.000000\n-3.687566 5.777187 0.000000\n0.000000 0.000000 4.599525\nCe Mg Mn\n1 6 1\ndirect\n0.286307 0.213693 0.750000 Ce\n0.176586 0.834723 0.250000 Mg\n0.665277 0.323414 0.250000 Mg\n0.679826 0.820174 0.250000 Mg\n0.316675 0.680229 0.750000 Mg\n0.819771 0.183325 0.750000 Mg\n0.837277 0.662723 0.750000 Mg\n0.218281 0.281719 0.250000 Mn\n",
"nsites": 8,
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],
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"density": 3.202227255483287,
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"volume": 176.7679895091339,
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"formula_full": "Ce1 Mg6 Mn1",
"formula_reduced": "CeMg6Mn",
"formula_anonymous": "ABC6",
"energy": -22.94533771,
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{
"id": "mp-1112512",
"created_at": "2022-09-04T14:48:11.557185Z",
"structure_string": "Cs2 Rb1 Sb1 I6\n1.0\n0.000000 6.524551 6.524551\n6.524551 0.000000 6.524551\n6.524551 6.524551 0.000000\nCs Rb Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.767724 0.232276 0.232276 I\n0.232276 0.232276 0.767724 I\n0.232276 0.767724 0.767724 I\n0.232276 0.767724 0.232276 I\n0.767724 0.232276 0.767724 I\n0.767724 0.767724 0.232276 I\n",
"nsites": 10,
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"elements": [
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],
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"volume": 555.497215408748,
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"formula_full": "Cs2 Rb1 Sb1 I6",
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{
"id": "mp-867250",
"created_at": "2022-09-04T14:39:05.581554Z",
"structure_string": "Li1 Zn2 Pd1\n1.0\n0.000000 3.060112 3.060112\n3.060112 0.000000 3.060112\n3.060112 3.060112 0.000000\nLi Zn Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 57.31152456951066,
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"formula_full": "Li1 Zn2 Pd1",
"formula_reduced": "LiZn2Pd",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "mp-981390",
"created_at": "2022-09-04T14:46:28.835450Z",
"structure_string": "Hg1 Bi3\n1.0\n4.956290 0.000000 0.000000\n0.000000 4.956290 0.000000\n0.000000 0.000000 4.956290\nHg Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
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"volume": 121.75032495074319,
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"formula_full": "Hg1 Bi3",
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},
{
"id": "mp-7881",
"created_at": "2022-09-04T14:40:08.629062Z",
"structure_string": "Sr1 Cd2 Ge2\n1.0\n-2.289171 2.289171 5.923752\n2.289171 -2.289171 5.923752\n2.289171 2.289171 -5.923752\nSr Cd Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n0.608113 0.608113 0.000000 Ge\n0.391887 0.391887 0.000000 Ge\n",
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"density": 6.121213871450927,
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"volume": 124.16904205670645,
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"formula_full": "Sr1 Cd2 Ge2",
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"updated_at": "2021-11-28T01:34:47.204000Z",
"spacegroup": 139
},
{
"id": "mp-1110772",
"created_at": "2022-09-04T14:42:40.890503Z",
"structure_string": "Rb2 Na1 Bi1 I6\n1.0\n0.000000 6.221661 6.221661\n6.221661 0.000000 6.221661\n6.221661 6.221661 0.000000\nRb Na Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.752569 0.247431 0.247431 I\n0.247431 0.247431 0.752569 I\n0.247431 0.752569 0.752569 I\n0.247431 0.752569 0.247431 I\n0.752569 0.247431 0.752569 I\n0.752569 0.752569 0.247431 I\n",
"nsites": 10,
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"volume": 481.6693675664969,
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"formula_full": "Rb2 Na1 Bi1 I6",
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"energy": -28.67515838,
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}
]
}