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{
"id": "jvasp-16262",
"created_at": "2022-09-04T14:38:28.653295Z",
"updated_at": "2022-09-04T14:38:28.653322Z",
"structure_string": "Cu2 Sn2\n1.0\n2.096859 -3.631866 -0.000000\n2.096859 3.631866 0.000000\n0.000000 0.000000 5.100643\nCu Sn\n2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.333333 0.666668 0.750000 Sn\n0.666668 0.333333 0.250000 Sn\n",
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{
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"structure_string": "Hg3 S3\n1.0\n1.974400 -3.419762 -0.000000\n1.974400 3.419762 0.000000\n0.000000 0.000000 9.706868\nHg S\n3 3\ndirect\n0.645172 0.645172 0.000000 Hg\n0.354828 0.000000 0.333333 Hg\n0.000000 0.354828 0.666667 Hg\n0.725887 0.725887 0.500000 S\n0.274113 0.000000 0.833333 S\n0.000000 0.274113 0.166667 S\n",
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{
"id": "jvasp-76258",
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"structure_string": "Na4 Cl2\n1.0\n0.000000 0.000000 -3.933419\n-6.662142 -0.000000 0.000000\n3.331072 6.659767 0.000000\nNa Cl\n4 2\ndirect\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.294785 0.589570 Na\n0.500000 0.705215 0.410431 Na\n0.000000 0.847818 0.695637 Cl\n0.000000 0.152182 0.304364 Cl\n",
"nsites": 6,
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"elements": [
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"volume": 174.51916708644654,
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{
"id": "jvasp-1939",
"created_at": "2022-09-04T14:36:34.798601Z",
"updated_at": "2022-09-04T14:36:34.798611Z",
"structure_string": "Hg2 Cl2\n1.0\n4.209515 -0.000000 -1.598455\n-0.606972 4.165525 -1.598455\n0.015768 0.018231 6.383609\nHg Cl\n2 2\ndirect\n0.882737 0.882738 0.765477 Hg\n0.117263 0.117263 0.234524 Hg\n0.659043 0.659044 0.318086 Cl\n0.340957 0.340957 0.681915 Cl\n",
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"density": 6.987973592890621,
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"volume": 112.18091130058994,
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"spacegroup": 139
},
{
"id": "jvasp-58994",
"created_at": "2022-09-04T14:36:59.894506Z",
"updated_at": "2022-09-04T14:36:59.894534Z",
"structure_string": "Sb4 Cl12 F8\n1.0\n6.487872 -0.000000 2.713696\n3.243936 9.079718 1.356848\n-0.259720 0.000000 9.733344\nSb Cl F\n4 12 8\ndirect\n0.473458 0.820549 0.272067 Sb\n0.254476 0.272067 0.179451 Sb\n0.705994 0.727933 0.820549 Sb\n0.566073 0.179451 0.727933 Sb\n0.882428 0.144091 0.775669 Cl\n0.341903 0.775669 0.855909 Cl\n0.973481 0.224331 0.144091 Cl\n0.802188 0.855909 0.224332 Cl\n0.852778 0.696362 0.566254 Cl\n0.450860 0.433746 0.696362 Cl\n0.580969 0.566254 0.303638 Cl\n0.715541 0.101880 0.484802 Cl\n0.799656 0.484802 0.898120 Cl\n0.182578 0.515198 0.101880 Cl\n0.302225 0.898120 0.515198 Cl\n0.115393 0.303638 0.433746 Cl\n0.957894 0.752464 0.831527 F\n0.585120 0.795810 0.042279 F\n0.372600 0.042279 0.204191 F\n0.619070 0.957721 0.795809 F\n0.423209 0.204191 0.957721 F\n0.210580 0.831527 0.247536 F\n0.541884 0.247536 0.168474 F\n0.289642 0.168474 0.752464 F\n",
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"volume": 579.7716927676206,
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"formula_full": "Sb4 Cl12 F8",
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"spacegroup": 82
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{
"id": "jvasp-99383",
"created_at": "2022-09-04T14:36:18.384336Z",
"updated_at": "2022-09-04T14:36:18.384363Z",
"structure_string": "Ca2 Mg4\n1.0\n5.347818 -0.000000 3.087564\n1.782606 5.041971 3.087564\n-0.000000 -0.000000 6.175128\nCa Mg\n2 4\ndirect\n0.750001 0.750000 0.749999 Ca\n0.500001 0.500000 0.499999 Ca\n0.125001 0.625000 0.124999 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.124999 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
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"volume": 166.50333102133013,
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"formula_full": "Ca2 Mg4",
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{
"id": "jvasp-38649",
"created_at": "2022-09-04T14:37:54.299258Z",
"updated_at": "2022-09-04T14:37:54.299275Z",
"structure_string": "Na1 Mg3\n1.0\n4.671610 0.000000 -0.000000\n0.000000 4.671610 0.000000\n-0.000000 0.000000 4.671610\nNa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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"formula_full": "Na1 Mg3",
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"spacegroup": 221
},
{
"id": "jvasp-38851",
"created_at": "2022-09-04T14:38:04.608388Z",
"updated_at": "2022-09-04T14:38:04.608419Z",
"structure_string": "Li1 Tb1 Tl2\n1.0\n0.000000 3.655711 3.655711\n3.655711 -0.000000 3.655711\n3.655711 3.655711 0.000000\nTb Li Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tb\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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"density": 9.765490467621394,
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"volume": 97.7114734374444,
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"formula_full": "Li1 Tb1 Tl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-39789",
"created_at": "2022-09-04T14:37:32.181557Z",
"updated_at": "2022-09-04T14:37:32.181584Z",
"structure_string": "Lu1 Mg1 Au2\n1.0\n-0.000000 3.405248 3.405248\n3.405248 -0.000000 3.405248\n3.405248 3.405248 0.000000\nLu Mg Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750001 0.750001 0.750001 Mg\n0.500001 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"formula_full": "Lu1 Mg1 Au2",
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},
{
"id": "jvasp-68436",
"created_at": "2022-09-04T14:36:14.374088Z",
"updated_at": "2022-09-04T14:36:14.374107Z",
"structure_string": "Sr2 Be1 Ga1\n1.0\n-2.350395 2.350395 4.888586\n2.350395 -2.350395 4.888586\n2.350395 2.350395 -4.888586\nSr Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750001 0.500001 Sr\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Ga\n",
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{
"id": "jvasp-117601",
"created_at": "2022-09-04T14:38:51.478091Z",
"updated_at": "2022-09-04T14:38:51.478118Z",
"structure_string": "Ba1 Mg1 Se1\n1.0\n3.767202 0.000000 0.000000\n0.000000 3.767202 -0.000000\n0.000000 -0.000000 9.052313\nBa Mg Se\n1 1 1\ndirect\n0.000000 0.000000 0.317888 Ba\n0.000000 0.000000 0.720985 Mg\n0.000000 0.000000 -0.006976 Se\n",
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{
"id": "jvasp-20765",
"created_at": "2022-09-04T14:38:29.449184Z",
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"structure_string": "Ca4 Mg8\n1.0\n3.102331 -5.373394 -0.000000\n3.102331 5.373394 0.000000\n-0.000000 -0.000000 10.041745\nCa Mg\n4 8\ndirect\n0.666667 0.333333 0.561687 Ca\n0.333333 0.666667 0.061687 Ca\n0.333333 0.666667 0.438314 Ca\n0.666667 0.333333 0.938314 Ca\n0.830959 0.661920 0.250000 Mg\n0.661920 0.830959 0.750000 Mg\n0.169040 0.830959 0.750000 Mg\n0.830959 0.169040 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.169040 0.338079 0.750000 Mg\n0.338079 0.169040 0.250000 Mg\n",
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