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{
"id": "jvasp-100604",
"created_at": "2022-09-04T14:36:43.199555Z",
"updated_at": "2022-09-04T14:36:43.199591Z",
"structure_string": "In3 Ga1\n1.0\n4.339519 0.081275 -3.647864\n-0.890571 4.247931 -3.647864\n-0.064749 -0.081275 5.668698\nIn Ga\n3 1\ndirect\n0.750000 0.250000 0.500001 In\n0.250000 0.750000 0.500001 In\n0.500000 0.499999 0.000000 In\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "In1 Ga3\n1.0\n4.414072 0.000000 0.000000\n0.000000 4.414072 0.000000\n-0.000000 -0.000000 4.414072\nIn Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n",
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{
"id": "jvasp-99677",
"created_at": "2022-09-04T14:36:34.781424Z",
"updated_at": "2022-09-04T14:36:34.781450Z",
"structure_string": "K2 Tl1 Ga1 I6\n1.0\n7.366669 -0.000000 4.253148\n2.455556 6.945361 4.253148\n-0.000000 -0.000000 8.506296\nK Tl Ga I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.766742 0.233258 0.233259 I\n0.233259 0.233258 0.766742 I\n0.233259 0.766741 0.766742 I\n0.233259 0.766741 0.233259 I\n0.766742 0.233258 0.766742 I\n0.766742 0.766741 0.233259 I\n",
"nsites": 10,
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"elements": [
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"volume": 435.2176220157311,
"volume_molar": 26.209417810112075,
"formula_full": "K2 Tl1 Ga1 I6",
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"spacegroup": 225
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{
"id": "jvasp-106413",
"created_at": "2022-09-04T14:36:54.787459Z",
"updated_at": "2022-09-04T14:36:54.787470Z",
"structure_string": "K3 Ga1 I6\n1.0\n7.395921 -0.000000 4.270037\n2.465307 6.972941 4.270037\n-0.000000 -0.000000 8.540074\nK Ga I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.768641 0.231359 0.231360 I\n0.231359 0.231359 0.768640 I\n0.231360 0.768640 0.768641 I\n0.231360 0.768640 0.231360 I\n0.768641 0.231359 0.768641 I\n0.768641 0.768640 0.231360 I\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ga-I-K",
"density": 3.575948311274056,
"density_atomic": 0.022705449916383794,
"volume": 440.4228956848022,
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"formula_full": "K3 Ga1 I6",
"formula_reduced": "K3GaI6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-107869",
"created_at": "2022-09-04T14:36:37.836375Z",
"updated_at": "2022-09-04T14:36:37.836398Z",
"structure_string": "Rb2 In1 Ga1 I6\n1.0\n7.326347 -0.000000 4.229869\n2.442116 6.907347 4.229869\n-0.000000 -0.000000 8.459737\nRb In Ga I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.747406 0.252594 0.252594 I\n0.252594 0.252594 0.747406 I\n0.252595 0.747406 0.747406 I\n0.252595 0.747406 0.252594 I\n0.747406 0.252594 0.747406 I\n0.747406 0.747406 0.252594 I\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ga-I-In-Rb",
"density": 4.332205986464284,
"density_atomic": 0.02335846931225121,
"volume": 428.11024413980465,
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"formula_full": "Rb2 In1 Ga1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-103172",
"created_at": "2022-09-04T14:36:45.234775Z",
"updated_at": "2022-09-04T14:36:45.234789Z",
"structure_string": "K2 In1 Ga1 I6\n1.0\n7.301803 -0.000000 4.215698\n2.433935 6.884206 4.215698\n-0.000000 -0.000000 8.431396\nK In Ga I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Ga\n0.747087 0.252912 0.252913 I\n0.252912 0.252912 0.747088 I\n0.252911 0.747088 0.747089 I\n0.252911 0.747088 0.252913 I\n0.747087 0.252912 0.747089 I\n0.747087 0.747088 0.252913 I\n",
"nsites": 10,
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"elements": [
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"I"
],
"chemical_system": "Ga-I-In-K",
"density": 4.012687370267168,
"density_atomic": 0.023594813201940772,
"volume": 423.8219609713824,
"volume_molar": 25.523155061488914,
"formula_full": "K2 In1 Ga1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-114958",
"created_at": "2022-09-04T14:38:42.451090Z",
"updated_at": "2022-09-04T14:38:42.451116Z",
"structure_string": "Ga1 I2\n1.0\n7.223607 -0.324351 0.777280\n1.067704 -3.968184 -0.534772\n1.525205 -1.262648 -3.637035\nGa I\n1 2\ndirect\n0.035845 0.904986 0.064277 Ga\n0.299149 0.150929 0.309257 I\n0.772580 0.659241 0.819116 I\n",
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"volume": 102.0380294869001,
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"formula_full": "Ga1 I2",
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"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-114956",
"created_at": "2022-09-04T14:38:43.817323Z",
"updated_at": "2022-09-04T14:38:43.817360Z",
"structure_string": "Ga1 I3\n1.0\n5.290353 0.000000 0.000000\n-2.645177 4.581580 -0.000000\n-0.000000 -0.000000 8.093947\nGa I\n1 3\ndirect\n0.666666 0.333333 0.000000 Ga\n0.333332 0.666667 0.670980 I\n0.000000 0.000000 0.000000 I\n0.333332 0.666667 0.329020 I\n",
"nsites": 4,
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"elements": [
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"density": 3.8126093095686935,
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"formula_full": "Ga1 I3",
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"spacegroup": 187
},
{
"id": "jvasp-114961",
"created_at": "2022-09-04T14:38:42.651434Z",
"updated_at": "2022-09-04T14:38:42.651463Z",
"structure_string": "Ga2 I2\n1.0\n4.661997 0.000000 -0.000000\n-0.000000 4.661997 0.000000\n0.000000 -0.000000 6.605920\nGa I\n2 2\ndirect\n0.000000 0.000000 0.250185 Ga\n0.500001 0.500001 0.749816 Ga\n0.000000 0.000000 0.750072 I\n0.500001 0.500001 0.249927 I\n",
"nsites": 4,
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"density": 4.548267455753865,
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"volume": 143.57449234374525,
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"formula_full": "Ga2 I2",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-114949",
"created_at": "2022-09-04T14:38:42.620515Z",
"updated_at": "2022-09-04T14:38:42.620532Z",
"structure_string": "Ga2 I1\n1.0\n5.608393 -0.000000 0.000000\n-2.804197 4.857011 0.000000\n0.000000 0.000000 3.630532\nGa I\n2 1\ndirect\n0.333333 0.666666 0.000000 Ga\n0.666666 0.333333 0.000000 Ga\n0.000000 0.000000 0.000000 I\n",
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},
{
"id": "jvasp-4249",
"created_at": "2022-09-04T14:38:06.877999Z",
"updated_at": "2022-09-04T14:38:06.878029Z",
"structure_string": "Ga4 I12\n1.0\n0.000000 9.606395 -0.072405\n6.000259 0.000000 0.000000\n0.000000 -3.659689 -11.223707\nGa I\n4 12\ndirect\n0.699372 0.001336 0.049244 Ga\n0.300629 0.501336 0.450756 Ga\n0.300629 0.998664 0.950757 Ga\n0.699372 0.498664 0.549244 Ga\n0.834008 0.743911 0.215026 I\n0.165992 0.243911 0.284975 I\n0.165992 0.256090 0.784975 I\n0.834009 0.756090 0.715026 I\n0.832910 0.258828 0.948968 I\n0.167091 0.758828 0.551033 I\n0.167091 0.741172 0.051033 I\n0.832910 0.241172 0.448968 I\n0.500644 0.765717 0.879060 I\n0.499357 0.265717 0.620941 I\n0.499357 0.234283 0.120941 I\n0.500644 0.734283 0.379060 I\n",
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{
"id": "jvasp-114957",
"created_at": "2022-09-04T14:38:44.327736Z",
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"structure_string": "Ga1 I3\n1.0\n7.305507 0.000000 0.000000\n-3.652753 6.326754 -0.000000\n0.000000 -0.000000 4.419587\nGa I\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.341807 0.000000 0.000000 I\n1.000000 0.341807 0.000000 I\n0.658193 0.658193 0.000000 I\n",
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}