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{
"id": "jvasp-114968",
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"updated_at": "2022-09-04T14:38:44.463448Z",
"structure_string": "In1 Ga1 O4\n1.0\n3.430397 -3.333934 0.000000\n3.430397 3.333934 0.000000\n0.000000 0.000000 3.217407\nIn Ga O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ga\n0.682184 0.682184 0.000000 O\n0.787958 0.212042 0.500000 O\n0.212042 0.787958 0.500000 O\n0.317816 0.317816 0.000000 O\n",
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{
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"structure_string": "In1 Ga1 O2\n1.0\n2.918697 0.000000 0.000000\n0.000000 2.918697 -0.000000\n0.000000 -0.000000 7.027622\nIn Ga O\n1 1 2\ndirect\n0.500000 0.500000 0.536320 In\n0.000000 0.000000 0.088522 Ga\n0.000000 0.000000 0.352498 O\n0.500000 0.500000 0.032660 O\n",
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{
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"structure_string": "Ga1 I3\n1.0\n7.323511 -0.142595 -0.714511\n-2.512954 -5.436572 0.729729\n0.761491 -0.892117 -3.997259\nGa I\n1 3\ndirect\n0.574633 0.568001 0.116120 Ga\n0.912640 0.952684 -0.051688 I\n0.236269 0.614547 0.283857 I\n0.574853 0.274629 0.616280 I\n",
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"elements": [
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"spacegroup": 44
},
{
"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",
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"elements": [
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"density": 4.548267455753865,
"density_atomic": 0.02786010199098056,
"volume": 143.57449234374525,
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"formula_full": "Ga2 I2",
"formula_reduced": "GaI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114960",
"created_at": "2022-09-04T14:38:44.331801Z",
"updated_at": "2022-09-04T14:38:44.331827Z",
"structure_string": "Ga1 I2\n1.0\n5.654107 0.000000 0.000000\n0.000000 4.370648 0.000000\n0.000000 0.000000 6.501169\nGa I\n1 2\ndirect\n0.428437 0.000000 0.000000 Ga\n-0.014218 0.000000 0.746606 I\n-0.014218 0.000000 0.253393 I\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ga-I",
"density": 3.3439898426981878,
"density_atomic": 0.01867325143202059,
"volume": 160.65761289197062,
"volume_molar": 32.250091966701255,
"formula_full": "Ga1 I2",
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"formula_anonymous": "AB2",
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"spacegroup": 25
},
{
"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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"elements": [
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"density": 5.26507056598794,
"density_atomic": 0.029400802966164173,
"volume": 102.0380294869001,
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"formula_full": "Ga1 I2",
"formula_reduced": "GaI2",
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"spacegroup": 166
},
{
"id": "jvasp-114957",
"created_at": "2022-09-04T14:38:44.327736Z",
"updated_at": "2022-09-04T14:38:44.327772Z",
"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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"density": 3.6615889510598394,
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"volume": 204.27395478336183,
"volume_molar": 30.754162732682005,
"formula_full": "Ga1 I3",
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"spacegroup": 189
},
{
"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",
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"elements": [
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"formula_full": "Ga1 I3",
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"spacegroup": 187
},
{
"id": "jvasp-114954",
"created_at": "2022-09-04T14:38:44.264082Z",
"updated_at": "2022-09-04T14:38:44.264114Z",
"structure_string": "Ga2 I2\n1.0\n6.091427 0.277442 -0.915513\n1.778870 -4.061376 -0.153625\n-0.573402 -2.463556 -5.621249\nGa I\n2 2\ndirect\n0.571889 0.284843 0.847191 Ga\n0.071915 0.284677 0.347264 Ga\n0.158961 0.950813 0.928401 I\n0.658971 0.950987 0.428320 I\n",
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"formula_full": "Ga2 I2",
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"spacegroup": 187
},
{
"id": "jvasp-114953",
"created_at": "2022-09-04T14:38:44.258847Z",
"updated_at": "2022-09-04T14:38:44.258875Z",
"structure_string": "Ga2 I1\n1.0\n5.728595 0.000000 0.000000\n0.000000 3.708807 0.000000\n0.000000 0.000000 5.141646\nGa I\n2 1\ndirect\n-0.033494 0.000000 0.752424 Ga\n-0.033494 0.000000 0.247577 Ga\n0.466989 0.000000 0.000000 I\n",
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"formula_full": "Ga2 I1",
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"spacegroup": 47
},
{
"id": "jvasp-114952",
"created_at": "2022-09-04T14:38:43.894415Z",
"updated_at": "2022-09-04T14:38:43.894431Z",
"structure_string": "Ga1 I1\n1.0\n5.376953 -0.000000 -0.000000\n-2.688477 4.656578 -0.000000\n-0.000000 0.000000 4.405441\nGa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.000000 I\n",
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},
{
"id": "jvasp-114950",
"created_at": "2022-09-04T14:38:43.839516Z",
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"structure_string": "Ga2 I1\n1.0\n6.325795 0.000000 1.024562\n0.000000 3.691627 0.000000\n1.026673 0.000000 4.673763\nGa I\n2 1\ndirect\n-0.095275 0.000000 -0.016369 Ga\n0.029110 0.000000 0.422193 Ga\n0.466165 0.000000 -0.005824 I\n",
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}