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{
"id": "jvasp-2032",
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"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",
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{
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"nsites": 8,
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{
"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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"volume": 211.56087925969445,
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"spacegroup": 8
},
{
"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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{
"id": "jvasp-13003",
"created_at": "2022-09-04T14:36:59.174874Z",
"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",
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"formula_full": "In4 Te4 Br4",
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"formula_anonymous": "ABC",
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"spacegroup": 14
},
{
"id": "jvasp-22720",
"created_at": "2022-09-04T14:36:45.907368Z",
"updated_at": "2022-09-04T14:36:45.907396Z",
"structure_string": "Ba2 Sb1 Au1\n1.0\n0.000000 4.131032 4.131032\n4.131032 -0.000000 4.131032\n4.131032 4.131032 0.000000\nBa Sb Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.750001 0.750001 0.750001 Sb\n0.250000 0.250000 0.250000 Au\n",
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"elements": [
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"density": 6.988383748034087,
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"formula_full": "Ba2 Sb1 Au1",
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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",
"nsites": 10,
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"elements": [
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"Cl"
],
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"density": 3.1728646127633335,
"density_atomic": 0.028370161807462976,
"volume": 352.48300901017166,
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"formula_full": "Rb3 Tl1 Cl6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-109438",
"created_at": "2022-09-04T14:37:58.920528Z",
"updated_at": "2022-09-04T14:37:58.920552Z",
"structure_string": "K2 Na1 Sb1 Br6\n1.0\n6.865758 -0.000000 3.963947\n2.288586 6.473099 3.963947\n-0.000000 -0.000000 7.927895\nK Na Sb Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750991 0.249009 0.249009 Br\n0.249009 0.249009 0.750991 Br\n0.249009 0.750991 0.750991 Br\n0.249009 0.750991 0.249009 Br\n0.750991 0.249009 0.750991 Br\n0.750992 0.750991 0.249009 Br\n",
"nsites": 10,
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"volume": 352.3373068159844,
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"formula_full": "K2 Na1 Sb1 Br6",
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{
"id": "jvasp-119932",
"created_at": "2022-09-04T14:38:49.052174Z",
"updated_at": "2022-09-04T14:38:49.052193Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.212349 0.000000 -0.000000\n0.000000 4.212349 0.000000\n-0.000000 0.000000 7.942599\nBa Ca Br\n1 1 2\ndirect\n0.500001 0.500001 0.809150 Ba\n0.000000 0.000000 0.392423 Ca\n0.000000 0.000000 0.007015 Br\n0.500001 0.500001 0.291412 Br\n",
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},
{
"id": "jvasp-103312",
"created_at": "2022-09-04T14:36:50.232172Z",
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"structure_string": "Sr1 Eu3\n1.0\n4.701141 -0.098236 -4.285916\n-0.981645 4.598560 -4.285916\n0.081192 0.098236 6.361070\nSr Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Eu\n0.250001 0.750000 0.500000 Eu\n0.500000 0.500000 -0.000001 Eu\n",
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{
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"created_at": "2022-09-04T14:38:37.599272Z",
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"structure_string": "Pr1 Nd1\n1.0\n3.682731 -0.000000 -0.000000\n-1.841365 3.189339 0.000000\n-0.000000 0.000000 5.998591\nPr Nd\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333334 0.666667 0.500000 Nd\n",
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