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{
"id": "jvasp-107861",
"created_at": "2022-09-04T14:36:37.314742Z",
"updated_at": "2022-09-04T14:36:37.314766Z",
"structure_string": "Rb3 Tl1 Cl6\n1.0\n6.866705 -0.000000 3.964494\n2.288902 6.473991 3.964494\n-0.000000 -0.000000 7.928987\nRb Tl Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.768104 0.231895 0.231895 Cl\n0.231895 0.231895 0.768105 Cl\n0.231895 0.768104 0.768105 Cl\n0.231895 0.768104 0.231895 Cl\n0.768104 0.231895 0.768105 Cl\n0.768104 0.768104 0.231895 Cl\n",
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{
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{
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"updated_at": "2022-09-04T14:36:59.174896Z",
"structure_string": "In4 Te4 Br4\n1.0\n0.000000 7.359307 0.166094\n7.652814 0.000000 0.000000\n0.000000 -3.851957 -7.598106\nIn Te Br\n4 4 4\ndirect\n0.977251 0.700797 0.117005 In\n0.022749 0.200797 0.382996 In\n0.022749 0.299203 0.882996 In\n0.977251 0.799203 0.617005 In\n0.225183 0.869622 0.444199 Te\n0.774818 0.369623 0.055802 Te\n0.774817 0.130377 0.555802 Te\n0.225183 0.630377 0.944199 Te\n0.678562 0.903687 0.912473 Br\n0.321439 0.403687 0.587529 Br\n0.321439 0.096313 0.087528 Br\n0.678562 0.596313 0.412472 Br\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Br-In-Te",
"density": 5.060965238156297,
"density_atomic": 0.028367140675637996,
"volume": 423.0246586081102,
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"formula_full": "In4 Te4 Br4",
"formula_reduced": "InTeBr",
"formula_anonymous": "ABC",
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"spacegroup": 14
},
{
"id": "jvasp-81100",
"created_at": "2022-09-04T14:37:17.678979Z",
"updated_at": "2022-09-04T14:37:17.679005Z",
"structure_string": "Ca2 Mg1 Pb1\n1.0\n-11.407166 -0.000000 -6.585931\n-7.296248 -1.367570 -0.534389\n-5.589793 3.459014 -3.490056\nCa Mg Pb\n2 1 1\ndirect\n0.739009 0.000001 0.000000 Ca\n0.260991 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"volume": 141.0293823180371,
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"spacegroup": 71
},
{
"id": "jvasp-108679",
"created_at": "2022-09-04T14:38:19.873138Z",
"updated_at": "2022-09-04T14:38:19.873160Z",
"structure_string": "Yb5 Mg1\n1.0\n6.826016 -0.018221 1.821543\n5.789752 3.615744 1.821543\n0.046320 0.013209 8.548661\nYb Mg\n5 1\ndirect\n0.002732 0.002732 0.021909 Yb\n0.279839 0.279839 0.945484 Yb\n0.661066 0.661065 0.671753 Yb\n0.953220 0.953218 0.585758 Yb\n0.320263 0.320262 0.338210 Yb\n0.616213 0.616212 0.270215 Mg\n",
"nsites": 6,
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"elements": [
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},
{
"id": "jvasp-122581",
"created_at": "2022-09-04T14:38:54.757564Z",
"updated_at": "2022-09-04T14:38:54.757591Z",
"structure_string": "Li1 Sn7\n1.0\n6.558351 0.000000 -0.000000\n0.000000 6.558351 -0.000000\n-0.000000 0.000000 6.558351\nLi Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Li\n0.242454 0.242454 0.742454 Sn\n0.000000 0.500000 0.000000 Sn\n0.242454 0.757546 0.257546 Sn\n0.500000 0.000000 0.000000 Sn\n0.757546 0.242454 0.257546 Sn\n0.500000 0.500000 0.500000 Sn\n0.757546 0.757546 0.742454 Sn\n",
"nsites": 8,
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"volume": 282.08758229019173,
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"formula_full": "Li1 Sn7",
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"spacegroup": 215
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{
"id": "jvasp-8710",
"created_at": "2022-09-04T14:36:51.796912Z",
"updated_at": "2022-09-04T14:36:51.796939Z",
"structure_string": "Ba4 Cu4\n1.0\n2.239961 -3.879726 -0.000000\n2.239961 3.879726 0.000000\n-0.000000 0.000000 16.229911\nBa Cu\n4 4\ndirect\n0.333333 0.666667 0.878342 Ba\n0.666667 0.333333 0.378342 Ba\n0.666667 0.333333 0.121658 Ba\n0.333333 0.666667 0.621658 Ba\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
"nsites": 8,
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"formula_full": "Ba4 Cu4",
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"spacegroup": 194
},
{
"id": "jvasp-2032",
"created_at": "2022-09-04T14:35:49.824457Z",
"updated_at": "2022-09-04T14:35:49.824479Z",
"structure_string": "Ba2 P1 Cl1\n1.0\n4.431903 -0.014507 6.646272\n2.001974 3.953996 6.646272\n-0.023692 -0.014507 7.988375\nBa P Cl\n2 1 1\ndirect\n0.757786 0.757787 0.757788 Ba\n0.242213 0.242213 0.242213 Ba\n0.500000 0.500000 0.500001 P\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"P",
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],
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"volume": 141.0772859048596,
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"formula_full": "Ba2 P1 Cl1",
"formula_reduced": "Ba2PCl",
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},
{
"id": "jvasp-38492",
"created_at": "2022-09-04T14:35:51.036668Z",
"updated_at": "2022-09-04T14:35:51.036688Z",
"structure_string": "K6 Rh2\n1.0\n3.842834 -6.655984 0.000000\n3.842834 6.655984 -0.000000\n0.000000 -0.000000 5.515985\nK Rh\n6 2\ndirect\n0.186682 0.813317 0.750001 K\n0.626634 0.813317 0.750001 K\n0.186682 0.373365 0.750001 K\n0.813317 0.186682 0.250000 K\n0.373365 0.186682 0.250000 K\n0.813317 0.626634 0.250000 K\n0.333333 0.666666 0.250000 Rh\n0.666666 0.333333 0.750001 Rh\n",
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"volume": 282.1739814017644,
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"formula_full": "K6 Rh2",
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{
"id": "jvasp-66078",
"created_at": "2022-09-04T14:36:09.102471Z",
"updated_at": "2022-09-04T14:36:09.102498Z",
"structure_string": "Ba4 Ir1 Se1\n1.0\n0.000000 4.730124 4.730124\n4.730124 0.000000 4.730124\n4.730124 4.730124 0.000000\nBa Ir Se\n4 1 1\ndirect\n0.126278 0.624574 0.624574 Ba\n0.624574 0.624574 0.624574 Ba\n0.624574 0.126278 0.624574 Ba\n0.624574 0.624574 0.126278 Ba\n0.250000 0.250000 0.250000 Ir\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-1993",
"created_at": "2022-09-04T14:36:09.746894Z",
"updated_at": "2022-09-04T14:36:09.746919Z",
"structure_string": "K1 Br1\n1.0\n4.016793 0.000000 2.319096\n1.338931 3.787069 2.319096\n0.000000 0.000000 4.638194\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500000 0.500001 Br\n",
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{
"id": "jvasp-102920",
"created_at": "2022-09-04T14:37:03.111096Z",
"updated_at": "2022-09-04T14:37:03.111116Z",
"structure_string": "Br2 Cl3\n1.0\n5.646838 -0.393385 -0.516580\n-0.528836 5.635767 -0.516580\n-0.384052 -0.393385 5.657397\nBr Cl\n2 3\ndirect\n0.781587 0.781586 0.781587 Br\n0.218413 0.218413 0.218413 Br\n0.000000 -0.000000 0.500000 Cl\n0.500000 -0.000000 -0.000000 Cl\n-0.000000 0.500000 0.000000 Cl\n",
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