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{
"id": "jvasp-116561",
"created_at": "2022-09-04T14:38:43.894452Z",
"updated_at": "2022-09-04T14:38:43.894474Z",
"structure_string": "Ce6 Mg23 Sn1\n1.0\n8.859053 0.000000 5.114777\n2.953018 8.352395 5.114777\n-0.000000 -0.000000 10.229553\nCe Mg Sn\n6 23 1\ndirect\n0.781293 0.781293 0.218707 Ce\n0.218707 0.781293 0.218707 Ce\n0.781293 0.218707 0.218707 Ce\n0.218707 0.218707 0.781293 Ce\n0.781293 0.218707 0.781293 Ce\n0.218707 0.781293 0.781293 Ce\n0.376939 0.869181 0.376939 Mg\n0.869181 0.376940 0.376940 Mg\n0.376939 0.376940 0.376939 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.376939 0.376940 0.869181 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.623060 0.623061 0.623061 Mg\n0.623060 0.623061 0.130820 Mg\n0.623060 0.130819 0.623061 Mg\n0.500000 0.500000 0.500000 Mg\n0.166481 0.166481 0.166481 Mg\n0.500555 0.166481 0.166482 Mg\n0.166481 0.500555 0.166481 Mg\n0.166481 0.166481 0.500555 Mg\n0.833518 0.833519 0.833519 Mg\n0.499445 0.833519 0.833519 Mg\n0.833518 0.499445 0.833519 Mg\n0.833518 0.833519 0.499445 Mg\n0.130819 0.623061 0.623060 Mg\n0.000000 0.000000 0.000000 Sn\n",
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{
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"structure_string": "Zn1 In1 S1\n1.0\n5.834773 1.487541 0.000000\n-1.895882 3.079637 0.000000\n0.000000 0.000000 3.588705\nZn In S\n1 1 1\ndirect\n0.708848 0.688235 0.000000 Zn\n0.323994 -0.004498 0.000000 In\n-0.032842 0.316264 0.000000 S\n",
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},
{
"id": "jvasp-36969",
"created_at": "2022-09-04T14:38:34.199750Z",
"updated_at": "2022-09-04T14:38:34.199777Z",
"structure_string": "Tl2 Ag2 Br6\n1.0\n6.492793 -0.055255 3.575430\n2.087553 6.148295 3.575430\n-0.077811 -0.055255 7.411748\nTl Ag Br\n2 2 6\ndirect\n0.255485 0.255486 0.255485 Tl\n0.755484 0.755487 0.755485 Tl\n0.005763 0.005763 0.005763 Ag\n0.505762 0.505764 0.505763 Ag\n0.255718 0.812323 0.699211 Br\n0.812321 0.699212 0.255718 Br\n0.699210 0.255720 0.812322 Br\n0.199211 0.312323 0.755718 Br\n0.755718 0.199212 0.312322 Br\n0.312321 0.755719 0.199211 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Br"
],
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"density": 6.124155568107286,
"density_atomic": 0.03340848342329245,
"volume": 299.3251705950825,
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"formula_full": "Tl2 Ag2 Br6",
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"formula_anonymous": "ABC3",
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"spacegroup": 167
},
{
"id": "jvasp-111471",
"created_at": "2022-09-04T14:38:40.311682Z",
"updated_at": "2022-09-04T14:38:40.311721Z",
"structure_string": "In2 Ni2 Ag4 F14\n1.0\n6.716110 -0.043314 -3.627355\n-2.235865 6.147241 -3.934214\n0.044358 0.043314 7.632946\nIn Ni Ag F\n2 2 4 14\ndirect\n-0.000000 0.500000 0.500000 In\n0.500000 -0.000000 0.500001 In\n0.500000 0.500000 0.500001 Ni\n0.500000 0.000000 0.000001 Ni\n0.500000 0.500000 0.000001 Ag\n0.000000 0.000000 0.000000 Ag\n-0.000000 0.500000 0.000000 Ag\n-0.000000 -0.000000 0.500000 Ag\n0.131882 0.399206 0.732675 F\n0.420691 0.250000 0.170692 F\n0.811602 0.172031 0.222824 F\n0.550792 0.327969 0.639571 F\n0.550792 0.911221 0.222824 F\n0.811601 0.588779 0.639571 F\n0.188398 0.827969 0.777177 F\n0.449208 0.088778 0.777177 F\n0.449207 0.672031 0.360431 F\n0.833468 0.100793 0.732676 F\n0.166532 0.899207 0.267326 F\n0.868117 0.600793 0.267326 F\n0.188398 0.411221 0.360430 F\n0.579308 0.750000 0.829310 F\n",
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"elements": [
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],
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"formula_full": "In2 Ni2 Ag4 F14",
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{
"id": "jvasp-111294",
"created_at": "2022-09-04T14:38:47.838930Z",
"updated_at": "2022-09-04T14:38:47.838956Z",
"structure_string": "Pm1 Sm1 Zn2\n1.0\n4.445585 0.000000 2.566660\n1.481862 4.191338 2.566660\n-0.000000 -0.000000 5.133320\nPm Sm Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
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{
"id": "jvasp-110807",
"created_at": "2022-09-04T14:38:47.854578Z",
"updated_at": "2022-09-04T14:38:47.854606Z",
"structure_string": "K3 Li1\n1.0\n5.409608 -0.826311 -4.044963\n-1.855096 5.148327 -4.044963\n0.679575 0.826311 6.720399\nK Li\n3 1\ndirect\n0.750000 0.250000 0.500001 K\n0.250000 0.750000 0.500001 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Li\n",
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"volume": 217.56934687328175,
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"formula_full": "K3 Li1",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-21699",
"created_at": "2022-09-04T14:38:34.749282Z",
"updated_at": "2022-09-04T14:38:34.749306Z",
"structure_string": "Yb8 Pb4\n1.0\n5.277379 -0.000000 0.000000\n-0.000000 7.106594 0.000000\n0.000000 0.000000 9.361438\nYb Pb\n8 4\ndirect\n0.250000 0.490065 0.219818 Yb\n0.750000 0.509934 0.780183 Yb\n0.250000 0.990065 0.280182 Yb\n0.750000 0.009935 0.719818 Yb\n0.750000 0.205546 0.079817 Yb\n0.250000 0.794454 0.920183 Yb\n0.750000 0.705545 0.420183 Yb\n0.250000 0.294454 0.579818 Yb\n0.250000 0.758965 0.590030 Pb\n0.750000 0.241034 0.409970 Pb\n0.250000 0.258966 0.909971 Pb\n0.750000 0.741034 0.090030 Pb\n",
"nsites": 12,
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"density": 10.467228515426923,
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"volume": 351.0931488366289,
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"formula_full": "Yb8 Pb4",
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"formula_anonymous": "AB2",
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"spacegroup": 62
},
{
"id": "jvasp-114746",
"created_at": "2022-09-04T14:38:43.398437Z",
"updated_at": "2022-09-04T14:38:43.398473Z",
"structure_string": "Cd2 F2\n1.0\n3.285941 0.000000 0.000000\n0.000000 3.285941 -0.000000\n0.000000 0.000000 5.516873\nCd F\n2 2\ndirect\n0.000000 0.000000 0.199485 Cd\n0.500000 0.500000 0.800510 Cd\n0.000000 0.000000 0.627574 F\n0.500000 0.500000 0.372429 F\n",
"nsites": 4,
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},
{
"id": "jvasp-102931",
"created_at": "2022-09-04T14:38:40.140615Z",
"updated_at": "2022-09-04T14:38:40.140635Z",
"structure_string": "Ga1 Hg3\n1.0\n4.137508 -0.125948 -4.005088\n-0.829676 4.055425 -4.005088\n0.106023 0.125948 5.757470\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Hg\n0.249999 0.750001 0.500000 Hg\n0.500000 0.500000 -0.000000 Hg\n",
"nsites": 4,
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},
{
"id": "jvasp-111351",
"created_at": "2022-09-04T14:38:47.184409Z",
"updated_at": "2022-09-04T14:38:47.184428Z",
"structure_string": "Na5 Br1 Cl4\n1.0\n3.982563 -0.000314 16.059393\n1.961307 3.466134 16.059393\n-0.000539 -0.000314 16.545843\nNa Br Cl\n5 1 4\ndirect\n0.601486 0.601488 0.601486 Na\n0.000000 0.000000 0.000000 Na\n0.398513 0.398514 0.398513 Na\n0.202929 0.202929 0.202929 Na\n0.797070 0.797072 0.797071 Na\n0.499999 0.500001 0.500000 Br\n0.097791 0.097791 0.097791 Cl\n0.699254 0.699256 0.699255 Cl\n0.300745 0.300745 0.300745 Cl\n0.902208 0.902210 0.902208 Cl\n",
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"formula_full": "Na5 Br1 Cl4",
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"formula_anonymous": "AB4C5",
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},
{
"id": "jvasp-110423",
"created_at": "2022-09-04T14:38:40.166712Z",
"updated_at": "2022-09-04T14:38:40.166728Z",
"structure_string": "In3 Cu1\n1.0\n4.506191 0.000000 0.000000\n0.000000 4.506191 -0.000000\n0.000000 0.000000 4.506191\nIn Cu\n3 1\ndirect\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Cu\n",
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},
{
"id": "jvasp-110709",
"created_at": "2022-09-04T14:38:36.792324Z",
"updated_at": "2022-09-04T14:38:36.792339Z",
"structure_string": "Na3 Pd1 F6\n1.0\n5.098085 -0.000000 2.943381\n1.699362 4.806521 2.943381\n-0.000000 -0.000000 5.886762\nNa Pd F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pd\n0.242868 0.242868 0.757132 F\n0.242868 0.757132 0.757132 F\n0.757133 0.757132 0.242867 F\n0.242868 0.757132 0.242868 F\n0.757133 0.242868 0.757132 F\n0.757133 0.242868 0.242867 F\n",
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}
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}