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{
"id": "jvasp-2175",
"created_at": "2022-09-04T14:36:00.913367Z",
"updated_at": "2022-09-04T14:36:00.913393Z",
"structure_string": "Ga2 Te5\n1.0\n6.411868 -0.006442 -1.812072\n-3.671439 5.256675 -1.812075\n0.003362 0.006444 6.663006\nGa Te\n2 5\ndirect\n0.249999 0.749999 0.500000 Ga\n0.750000 0.250000 0.500001 Ga\n0.189996 0.668871 0.858869 Te\n0.810003 0.331128 0.141132 Te\n0.668872 0.810003 0.478876 Te\n0.331128 0.189996 0.521125 Te\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "jvasp-26249",
"created_at": "2022-09-04T14:38:34.536122Z",
"updated_at": "2022-09-04T14:38:34.536146Z",
"structure_string": "Ga6 Te6\n1.0\n4.143298 -0.000000 0.000000\n-2.071649 8.513650 -2.171211\n0.000000 0.041204 10.575395\nGa Te\n6 6\ndirect\n0.136297 0.272595 0.417897 Ga\n0.863702 0.727405 0.582103 Ga\n0.239995 0.479990 0.299481 Ga\n0.760005 0.520010 0.700519 Ga\n0.563075 0.126152 0.081963 Ga\n0.436924 0.873848 0.918036 Ga\n0.156610 0.313220 0.049241 Te\n0.843390 0.686779 0.950759 Te\n0.158897 0.317794 0.677983 Te\n0.841103 0.682205 0.322017 Te\n0.538943 0.077887 0.327490 Te\n0.461057 0.922113 0.672509 Te\n",
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"formula_full": "Ga6 Te6",
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{
"id": "jvasp-4666",
"created_at": "2022-09-04T14:38:16.716296Z",
"updated_at": "2022-09-04T14:38:16.716317Z",
"structure_string": "Ga4 Te4\n1.0\n2.061807 -3.571154 0.000000\n2.061807 3.571154 0.000000\n0.000000 0.000000 16.998045\nGa Te\n4 4\ndirect\n0.333334 0.666668 0.177729 Ga\n0.666668 0.333334 0.677729 Ga\n0.666668 0.333334 0.822271 Ga\n0.333334 0.666668 0.322271 Ga\n0.333334 0.666668 0.897381 Te\n0.666668 0.333334 0.397381 Te\n0.666668 0.333334 0.102618 Te\n0.333334 0.666668 0.602618 Te\n",
"nsites": 8,
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"elements": [
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"density": 5.236019310368794,
"density_atomic": 0.03195982761261061,
"volume": 250.31424127091927,
"volume_molar": 18.842844939575965,
"formula_full": "Ga4 Te4",
"formula_reduced": "GaTe",
"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-29359",
"created_at": "2022-09-04T14:38:04.936229Z",
"updated_at": "2022-09-04T14:38:04.936264Z",
"structure_string": "Ga6 Te6\n1.0\n4.143339 -0.000000 0.000000\n-2.071669 8.511869 -2.169861\n0.000000 0.042521 10.574111\nGa Te\n6 6\ndirect\n0.136313 0.272626 0.417943 Ga\n0.863687 0.727374 0.582057 Ga\n0.240032 0.480065 0.299464 Ga\n0.759968 0.519935 0.700536 Ga\n0.563064 0.126129 0.082001 Ga\n0.436936 0.873871 0.917999 Ga\n0.156608 0.313216 0.049240 Te\n0.843392 0.686784 0.950760 Te\n0.158845 0.317690 0.678038 Te\n0.841155 0.682310 0.321962 Te\n0.538928 0.077857 0.327556 Te\n0.461072 0.922143 0.672444 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "Ga-Te",
"density": 5.266399803379861,
"density_atomic": 0.03214526530140924,
"volume": 373.30536511309873,
"volume_molar": 18.734145459785616,
"formula_full": "Ga6 Te6",
"formula_reduced": "GaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0486225888888889,
"spacegroup": 12
},
{
"id": "jvasp-39271",
"created_at": "2022-09-04T14:37:53.128132Z",
"updated_at": "2022-09-04T14:37:53.128159Z",
"structure_string": "Ga6 Te2\n1.0\n3.252146 -5.632883 0.000000\n3.252146 5.632883 -0.000000\n-0.000000 -0.000000 5.298816\nGa Te\n6 2\ndirect\n0.158822 0.841179 0.750001 Ga\n0.682357 0.841179 0.750001 Ga\n0.158822 0.317644 0.750001 Ga\n0.841179 0.158822 0.250000 Ga\n0.317644 0.158822 0.250000 Ga\n0.841179 0.682357 0.250000 Ga\n0.333334 0.666667 0.250000 Te\n0.666667 0.333334 0.750001 Te\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ga-Te",
"density": 5.761049420693531,
"density_atomic": 0.04120789092668548,
"volume": 194.13757462698354,
"volume_molar": 14.614047515108744,
"formula_full": "Ga6 Te2",
"formula_reduced": "Ga3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5000000000001124e-05,
"spacegroup": 194
},
{
"id": "jvasp-22549",
"created_at": "2022-09-04T14:37:31.113181Z",
"updated_at": "2022-09-04T14:37:31.113205Z",
"structure_string": "Ga4 Te6\n1.0\n8.474904 0.008726 0.006170\n6.367516 10.954432 -0.047498\n4.245012 4.853709 3.432090\nGa Te\n4 6\ndirect\n0.121408 0.993109 0.246179 Ga\n0.125913 0.667464 0.258119 Ga\n0.621408 0.340224 0.225507 Ga\n0.625913 0.665870 0.260511 Ga\n0.977230 0.004873 0.998342 Te\n0.010310 0.321406 0.037930 Te\n0.510309 0.011927 0.002149 Te\n0.015140 0.633789 0.028467 Te\n0.477231 0.328460 0.012961 Te\n0.515139 0.699545 0.929833 Te\n",
"nsites": 10,
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"elements": [
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"density": 5.415108961996781,
"density_atomic": 0.031221443927910996,
"volume": 320.2926816289977,
"volume_molar": 19.288476131676905,
"formula_full": "Ga4 Te6",
"formula_reduced": "Ga2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3873976244444445,
"spacegroup": 9
},
{
"id": "jvasp-92698",
"created_at": "2022-09-04T14:35:58.609378Z",
"updated_at": "2022-09-04T14:35:58.609401Z",
"structure_string": "Ga2 Te3\n1.0\n-2.091215 -3.622090 -0.000000\n2.091215 -3.622090 -0.000000\n-0.000000 -2.414727 9.090192\nGa Te\n2 3\ndirect\n0.194314 0.194314 0.417058 Ga\n0.805686 0.805686 0.582942 Ga\n0.000000 0.000000 0.000000 Te\n0.412532 0.412532 0.762406 Te\n0.587469 0.587469 0.237594 Te\n",
"nsites": 5,
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"elements": [
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"volume": 137.70857195185573,
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"formula_full": "Ga2 Te3",
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"formula_anonymous": "A2B3",
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"spacegroup": 166
},
{
"id": "jvasp-100596",
"created_at": "2022-09-04T14:36:32.853774Z",
"updated_at": "2022-09-04T14:36:32.853799Z",
"structure_string": "Ga3 Te1\n1.0\n4.078428 0.003262 -4.277483\n-0.651294 4.026091 -4.277483\n-0.002774 -0.003262 5.910197\nGa Te\n3 1\ndirect\n0.750001 0.250000 0.500001 Ga\n0.250001 0.750000 0.500002 Ga\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"density": 5.768406472877874,
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"volume": 96.9449853350608,
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"formula_full": "Ga3 Te1",
"formula_reduced": "Ga3Te",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-78680",
"created_at": "2022-09-04T14:36:32.169728Z",
"updated_at": "2022-09-04T14:36:32.169756Z",
"structure_string": "Gd1 Te1\n1.0\n3.805505 0.000000 2.197109\n1.268501 3.587865 2.197109\n0.000000 0.000000 4.394219\nGd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.499999 0.500001 0.500001 Te\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Gd-Te",
"density": 7.883793371808242,
"density_atomic": 0.033334957643806486,
"volume": 59.99707638361415,
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"formula_full": "Gd1 Te1",
"formula_reduced": "GdTe",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-14896",
"created_at": "2022-09-04T14:37:00.206810Z",
"updated_at": "2022-09-04T14:37:00.206832Z",
"structure_string": "Ge1 As1\n1.0\n3.306431 -0.000000 -1.776410\n-0.954393 3.165694 -1.776410\n0.029610 0.039854 4.020447\nGe As\n1 1\ndirect\n0.997294 0.997291 0.994588 Ge\n0.416706 0.416705 0.833411 As\n",
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"elements": [
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{
"id": "jvasp-30474",
"created_at": "2022-09-04T14:37:06.444620Z",
"updated_at": "2022-09-04T14:37:06.444636Z",
"structure_string": "Ge1 As3\n1.0\n-1.955672 1.955672 5.353230\n1.955672 -1.955672 5.353230\n1.955672 1.955672 -5.353230\nGe As\n1 3\ndirect\n0.000000 0.000000 0.000000 Ge\n0.749999 0.250000 0.500000 As\n0.250000 0.749999 0.500000 As\n0.500000 0.500000 0.000000 As\n",
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},
{
"id": "jvasp-56261",
"created_at": "2022-09-04T14:37:31.008469Z",
"updated_at": "2022-09-04T14:37:31.008489Z",
"structure_string": "Ge3 As4\n1.0\n5.520292 0.000000 0.000000\n0.000000 5.520292 -0.000000\n0.000000 -0.000000 5.520539\nGe As\n3 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.282169 0.717831 0.217840 As\n0.717831 0.282169 0.217840 As\n0.282169 0.282169 0.782161 As\n0.717831 0.717831 0.782161 As\n",
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"formula_full": "Ge3 As4",
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}