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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4578",
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{
"id": "jvasp-109478",
"created_at": "2022-09-04T14:38:27.492017Z",
"updated_at": "2022-09-04T14:38:27.492044Z",
"structure_string": "Rb2 Tb1 Au1 Cl6\n1.0\n6.529613 -0.000000 3.769874\n2.176538 6.156178 3.769874\n-0.000000 -0.000000 7.539747\nTb Rb Au Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Au\n0.753687 0.246312 0.246312 Cl\n0.246312 0.246312 0.753688 Cl\n0.246312 0.753688 0.753687 Cl\n0.246312 0.753688 0.246312 Cl\n0.753687 0.246312 0.753688 Cl\n0.753688 0.753688 0.246312 Cl\n",
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{
"id": "jvasp-17871",
"created_at": "2022-09-04T14:38:12.304782Z",
"updated_at": "2022-09-04T14:38:12.304799Z",
"structure_string": "Pr1 In3\n1.0\n4.737083 -0.000000 -0.000000\n0.000000 4.737083 0.000000\n-0.000000 0.000000 4.737083\nPr In\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
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{
"id": "jvasp-108618",
"created_at": "2022-09-04T14:38:27.519297Z",
"updated_at": "2022-09-04T14:38:27.519331Z",
"structure_string": "Dy1 Ho1 Hg2\n1.0\n4.520079 -0.000000 2.609669\n1.506693 4.261571 2.609669\n-0.000000 -0.000000 5.219338\nDy Ho Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Dy\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n",
"nsites": 4,
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"elements": [
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"Ho",
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],
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"density": 12.03408957247956,
"density_atomic": 0.039785865975087785,
"volume": 100.5382163229683,
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"formula_full": "Dy1 Ho1 Hg2",
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"spacegroup": 225
},
{
"id": "jvasp-16435",
"created_at": "2022-09-04T14:38:17.347472Z",
"updated_at": "2022-09-04T14:38:17.347491Z",
"structure_string": "Pr1 Mg2 Ag1\n1.0\n4.387606 0.000000 2.533186\n1.462535 4.136675 2.533186\n0.000000 -0.000000 5.066372\nPr Mg Ag\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Pr\n0.750001 0.750001 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Mg",
"Ag"
],
"chemical_system": "Ag-Mg-Pr",
"density": 5.370235110350634,
"density_atomic": 0.043499462748482175,
"volume": 91.95515869077192,
"volume_molar": 13.844172731099146,
"formula_full": "Pr1 Mg2 Ag1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-108969",
"created_at": "2022-09-04T14:38:27.542769Z",
"updated_at": "2022-09-04T14:38:27.542796Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n4.815598 -0.000000 2.780287\n1.605199 4.540189 2.780287\n-0.000000 -0.000000 5.560574\nSr Sb Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Sb",
"Au"
],
"chemical_system": "Au-Sb-Sr",
"density": 6.746878241248502,
"density_atomic": 0.03290153870588825,
"volume": 121.57486115639134,
"volume_molar": 18.303523169031124,
"formula_full": "Sr2 Sb1 Au1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-108841",
"created_at": "2022-09-04T14:38:27.538641Z",
"updated_at": "2022-09-04T14:38:27.538664Z",
"structure_string": "K2 Na1 Ga1 F6\n1.0\n5.062643 -0.000000 2.922919\n1.687548 4.773106 2.922919\n-0.000000 -0.000000 5.845837\nK Na Ga F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.768104 0.231895 0.231896 F\n0.231895 0.231895 0.768105 F\n0.231895 0.768105 0.768105 F\n0.231895 0.768105 0.231895 F\n0.768104 0.231895 0.768105 F\n0.768104 0.768105 0.231896 F\n",
"nsites": 10,
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"elements": [
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"Ga",
"F"
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"chemical_system": "F-Ga-K-Na",
"density": 3.349007651993334,
"density_atomic": 0.07079048953034396,
"volume": 141.26191337769396,
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"formula_full": "K2 Na1 Ga1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109448",
"created_at": "2022-09-04T14:38:27.508485Z",
"updated_at": "2022-09-04T14:38:27.508497Z",
"structure_string": "K2 Tl1 Cu1 Cl6\n1.0\n6.252195 -0.000000 3.609706\n2.084065 5.894626 3.609706\n-0.000000 -0.000000 7.219413\nK Tl Cu Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500001 Cu\n0.737128 0.262871 0.262872 Cl\n0.262870 0.262871 0.737129 Cl\n0.262870 0.737130 0.737130 Cl\n0.262870 0.737130 0.262872 Cl\n0.737128 0.262871 0.737130 Cl\n0.737128 0.737130 0.262872 Cl\n",
"nsites": 10,
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"Tl",
"Cu",
"Cl"
],
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"density": 3.4877789720518972,
"density_atomic": 0.03758454895315691,
"volume": 266.0667821892286,
"volume_molar": 16.022916139037957,
"formula_full": "K2 Tl1 Cu1 Cl6",
"formula_reduced": "K2TlCuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-110010",
"created_at": "2022-09-04T14:38:12.396835Z",
"updated_at": "2022-09-04T14:38:12.396869Z",
"structure_string": "Na6 Zn2\n1.0\n6.867465 -0.000000 0.000000\n-3.433732 5.947400 0.000000\n-0.000000 -0.000000 5.424188\nNa Zn\n6 2\ndirect\n0.174176 0.348351 0.250000 Na\n0.651650 0.825825 0.250000 Na\n0.174176 0.825825 0.250000 Na\n0.825825 0.651649 0.750000 Na\n0.348351 0.174175 0.750000 Na\n0.825825 0.174175 0.750000 Na\n0.333334 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 8,
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"elements": [
"Na",
"Zn"
],
"chemical_system": "Na-Zn",
"density": 2.0144195343486873,
"density_atomic": 0.03611034603643869,
"volume": 221.54315530311612,
"volume_molar": 16.677050820623823,
"formula_full": "Na6 Zn2",
"formula_reduced": "Na3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-109782",
"created_at": "2022-09-04T14:38:17.338501Z",
"updated_at": "2022-09-04T14:38:17.338533Z",
"structure_string": "Ca2 Ga7 Au1\n1.0\n4.255480 0.000000 0.000000\n0.000000 4.255480 0.000000\n0.000000 0.000000 11.255325\nCa Ga Au\n2 7 1\ndirect\n0.000000 0.000000 0.002316 Ca\n0.500000 0.500000 0.499692 Ca\n-0.000000 0.500000 0.252400 Ga\n0.500000 0.000000 0.747876 Ga\n0.500000 0.000000 0.252400 Ga\n-0.000000 0.500000 0.747876 Ga\n0.000000 0.000000 0.610864 Ga\n0.000000 0.000000 0.390571 Ga\n0.500000 0.500000 0.886009 Ga\n0.500000 0.500000 0.109993 Au\n",
"nsites": 10,
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"elements": [
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"Ga",
"Au"
],
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"density": 6.233896475917769,
"density_atomic": 0.049061955320447104,
"volume": 203.8239188529119,
"volume_molar": 12.274563295870534,
"formula_full": "Ca2 Ga7 Au1",
"formula_reduced": "Ca2Ga7Au",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-106353",
"created_at": "2022-09-04T14:38:17.336133Z",
"updated_at": "2022-09-04T14:38:17.336163Z",
"structure_string": "Mg2 Ag1 Pd1\n1.0\n3.224758 0.000000 -0.000000\n-0.000000 3.224758 0.000000\n-0.000000 0.000000 6.581435\nMg Ag Pd\n2 1 1\ndirect\n0.500000 0.500000 0.265784 Mg\n0.500000 0.500000 0.734216 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
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"density": 6.3785484102097385,
"density_atomic": 0.058444700471942085,
"volume": 68.44076482041866,
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"formula_full": "Mg2 Ag1 Pd1",
"formula_reduced": "Mg2AgPd",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-111223",
"created_at": "2022-09-04T14:38:51.308547Z",
"updated_at": "2022-09-04T14:38:51.308569Z",
"structure_string": "Na3 Sb1 Br6\n1.0\n6.844539 -0.000000 3.951696\n2.281513 6.453093 3.951696\n-0.000000 -0.000000 7.903393\nNa Sb Br\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750686 0.249314 0.249315 Br\n0.249314 0.249314 0.750686 Br\n0.249314 0.750685 0.750686 Br\n0.249314 0.750685 0.249315 Br\n0.750686 0.249314 0.750686 Br\n0.750686 0.750685 0.249315 Br\n",
"nsites": 10,
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],
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"density": 3.187847654825795,
"density_atomic": 0.028646679917626552,
"volume": 349.08059254178744,
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"formula_full": "Na3 Sb1 Br6",
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},
{
"id": "jvasp-122669",
"created_at": "2022-09-04T14:38:54.686819Z",
"updated_at": "2022-09-04T14:38:54.686846Z",
"structure_string": "Ga3 Hg1\n1.0\n4.744481 -0.138386 -0.025996\n-2.417621 4.084649 0.025996\n-0.030143 0.017774 4.703397\nGa Hg\n3 1\ndirect\n0.360307 0.639692 0.437940 Ga\n0.835217 0.164782 0.077606 Ga\n0.664686 0.335313 0.558236 Ga\n0.139790 0.860210 0.926219 Hg\n",
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}
]
}