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{
"id": "jvasp-40437",
"created_at": "2022-09-04T14:38:04.361618Z",
"updated_at": "2022-09-04T14:38:04.361650Z",
"structure_string": "Tc2 Ir6\n1.0\n2.762909 -4.785499 -0.000000\n2.762909 4.785499 0.000000\n0.000000 -0.000000 4.396843\nTc Ir\n2 6\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.749999 Tc\n0.665660 0.832830 0.749999 Ir\n0.167171 0.334340 0.749999 Ir\n0.167171 0.832830 0.749999 Ir\n0.334340 0.167171 0.250000 Ir\n0.832830 0.665660 0.250000 Ir\n0.832830 0.167171 0.250000 Ir\n",
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{
"id": "jvasp-39773",
"created_at": "2022-09-04T14:37:45.670346Z",
"updated_at": "2022-09-04T14:37:45.670381Z",
"structure_string": "Ti2 Tc1 Ir1\n1.0\n-0.000000 3.097309 3.097309\n3.097309 0.000000 3.097309\n3.097309 3.097309 -0.000000\nTi Tc Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Ir\n",
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{
"id": "jvasp-51185",
"created_at": "2022-09-04T14:36:39.597342Z",
"updated_at": "2022-09-04T14:36:39.597368Z",
"structure_string": "Tl1 Tc1 Ir2\n1.0\n0.000000 3.233482 3.233479\n3.233485 -0.000002 3.233481\n3.233484 3.233483 -0.000002\nTl Tc Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750001 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Tc-Tl",
"density": 16.867416998434546,
"density_atomic": 0.05915864929860837,
"volume": 67.61479593304533,
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"formula_full": "Tl1 Tc1 Ir2",
"formula_reduced": "TlTcIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-99496",
"created_at": "2022-09-04T14:36:36.789111Z",
"updated_at": "2022-09-04T14:36:36.789133Z",
"structure_string": "Zr2 Tc1 Ir1\n1.0\n4.027830 -0.000000 2.325469\n1.342610 3.797475 2.325469\n-0.000000 -0.000000 4.650938\nZr Tc Ir\n2 1 1\ndirect\n0.750000 0.749999 0.750001 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.499999 0.500001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Zr",
"density": 11.033058892573361,
"density_atomic": 0.05622809701366308,
"volume": 71.13881159855053,
"volume_molar": 10.710198423639797,
"formula_full": "Zr2 Tc1 Ir1",
"formula_reduced": "Zr2TcIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-19753",
"created_at": "2022-09-04T14:38:19.678384Z",
"updated_at": "2022-09-04T14:38:19.678410Z",
"structure_string": "Te6 Ir3\n1.0\n3.977271 -0.000000 -0.801705\n-0.008275 5.445626 -0.041052\n0.008216 -0.000488 10.307273\nTe Ir\n6 3\ndirect\n0.878855 0.287179 0.757711 Te\n0.121144 0.712821 0.242290 Te\n0.780452 0.759342 0.560906 Te\n0.544511 0.222317 0.089024 Te\n0.455489 0.777684 0.910977 Te\n0.219547 0.240658 0.439094 Te\n-0.000001 0.500000 0.000000 Ir\n0.340256 0.002189 0.680511 Ir\n0.659743 0.997812 0.319489 Ir\n",
"nsites": 9,
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"elements": [
"Te",
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"chemical_system": "Ir-Te",
"density": 9.982433987071323,
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"volume": 223.27823310122648,
"volume_molar": 14.940143870885302,
"formula_full": "Te6 Ir3",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-56178",
"created_at": "2022-09-04T14:37:00.797749Z",
"updated_at": "2022-09-04T14:37:00.797776Z",
"structure_string": "Te8 Ir4\n1.0\n4.048016 -0.000000 0.000000\n0.000000 5.463454 0.000000\n0.000000 0.000000 13.580964\nTe Ir\n8 4\ndirect\n0.250000 0.761994 0.950571 Te\n0.250000 0.738005 0.450571 Te\n0.250000 0.293800 0.807150 Te\n0.750001 0.261994 0.549429 Te\n0.750001 0.238005 0.049429 Te\n0.750001 0.706200 0.192850 Te\n0.250000 0.206200 0.307150 Te\n0.750001 0.793799 0.692850 Te\n0.750001 0.485536 0.366268 Ir\n0.750001 0.014464 0.866268 Ir\n0.250000 0.985535 0.133732 Ir\n0.250000 0.514463 0.633731 Ir\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ir-Te",
"density": 9.894217681767193,
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"volume": 300.3586262024808,
"volume_molar": 15.073349378929699,
"formula_full": "Te8 Ir4",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.823855544444444,
"spacegroup": 62
},
{
"id": "jvasp-20653",
"created_at": "2022-09-04T14:38:08.730834Z",
"updated_at": "2022-09-04T14:38:08.730866Z",
"structure_string": "Te2 Ir1\n1.0\n1.990199 -3.447126 0.000000\n1.990199 3.447126 -0.000000\n-0.000000 -0.000000 5.528225\nTe Ir\n2 1\ndirect\n0.333333 0.666667 0.251529 Te\n0.666667 0.333333 0.748470 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"elements": [
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"density": 9.794724182724776,
"density_atomic": 0.03955049165820381,
"volume": 75.85240724504928,
"volume_molar": 15.226462447151018,
"formula_full": "Te2 Ir1",
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"spacegroup": 164
},
{
"id": "jvasp-16346",
"created_at": "2022-09-04T14:38:08.488147Z",
"updated_at": "2022-09-04T14:38:08.488175Z",
"structure_string": "Te4 Ir2\n1.0\n6.152571 -0.000000 0.000000\n-0.000000 6.152571 0.000000\n0.000000 0.000000 4.200035\nTe Ir\n4 2\ndirect\n0.693674 0.693674 0.000000 Te\n0.193674 0.806326 0.499999 Te\n0.306326 0.306326 0.000000 Te\n0.806326 0.193674 0.499999 Te\n0.500000 0.500000 0.499999 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
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"elements": [
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"density": 9.345991826289836,
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"volume": 158.98867051671905,
"volume_molar": 15.957535884949067,
"formula_full": "Te4 Ir2",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.918772211111111,
"spacegroup": 136
},
{
"id": "jvasp-58259",
"created_at": "2022-09-04T14:37:10.427183Z",
"updated_at": "2022-09-04T14:37:10.427194Z",
"structure_string": "Te8 Ir4\n1.0\n6.565190 0.000000 -0.000000\n-0.000000 6.565190 0.000000\n0.000000 -0.000000 6.565190\nTe Ir\n8 4\ndirect\n0.366618 0.133382 0.866618 Te\n0.133382 0.866618 0.366618 Te\n0.866618 0.366618 0.133382 Te\n0.633382 0.633382 0.633382 Te\n0.366618 0.366618 0.366618 Te\n0.133382 0.633382 0.866618 Te\n0.866618 0.133382 0.633382 Te\n0.633382 0.866618 0.133382 Te\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ir-Te",
"density": 10.502185194416844,
"density_atomic": 0.04240717555449785,
"volume": 282.9709793942464,
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"formula_full": "Te8 Ir4",
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"spacegroup": 205
},
{
"id": "jvasp-15917",
"created_at": "2022-09-04T14:37:54.823756Z",
"updated_at": "2022-09-04T14:37:54.823784Z",
"structure_string": "Te2 Ir2\n1.0\n2.061874 -3.571270 0.000000\n2.061874 3.571270 0.000000\n-0.000000 0.000000 5.688447\nTe Ir\n2 2\ndirect\n0.666666 0.333332 0.250000 Te\n0.333332 0.666666 0.750000 Te\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
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"elements": [
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"volume": 83.7738586303639,
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"formula_full": "Te2 Ir2",
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{
"id": "jvasp-602",
"created_at": "2022-09-04T14:37:38.167805Z",
"updated_at": "2022-09-04T14:37:38.167831Z",
"structure_string": "Te2 Ir1\n1.0\n1.990199 -3.447126 0.000000\n1.990199 3.447126 0.000000\n0.000000 0.000000 5.528225\nTe Ir\n2 1\ndirect\n0.333333 0.666667 0.251529 Te\n0.666667 0.333333 0.748470 Te\n0.000000 0.000000 0.000000 Ir\n",
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},
{
"id": "jvasp-14650",
"created_at": "2022-09-04T14:36:32.074126Z",
"updated_at": "2022-09-04T14:36:32.074141Z",
"structure_string": "Th1 Ir5\n1.0\n2.672268 -4.628504 0.000000\n2.672268 4.628504 -0.000000\n-0.000000 -0.000000 4.378668\nTh Ir\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.333334 0.666667 0.000000 Ir\n0.666667 0.333334 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
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"formula_full": "Th1 Ir5",
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