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{
"id": "jvasp-16041",
"created_at": "2022-09-04T14:37:02.089872Z",
"updated_at": "2022-09-04T14:37:02.089901Z",
"structure_string": "Mn2 Zn1 As2\n1.0\n1.943805 -3.366769 -0.000000\n1.943805 3.366769 0.000000\n-0.000000 -0.000000 6.591863\nMn Zn As\n2 1 2\ndirect\n0.666666 0.333332 0.613750 Mn\n0.333332 0.666666 0.386250 Mn\n0.000000 0.000000 0.000000 Zn\n0.333332 0.666666 0.754648 As\n0.666666 0.333332 0.245351 As\n",
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{
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"structure_string": "Ca2 Cd1 N2\n1.0\n3.454387 -0.000220 -0.885944\n-3.681295 3.447147 -0.000000\n0.010539 0.011255 7.215680\nCa Cd N\n2 1 2\ndirect\n0.661470 0.330735 0.161527 Ca\n0.338532 0.669265 0.838474 Ca\n-0.000001 -0.000001 0.500000 Cd\n0.308406 0.154203 0.808265 N\n0.691595 0.845796 0.191736 N\n",
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{
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"structure_string": "Sr1 Cu2 Ge2\n1.0\n4.002715 0.000000 -1.538227\n-0.591134 3.958824 -1.538227\n-0.003723 -0.004321 5.967281\nSr Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750001 0.250000 0.500000 Cu\n0.250001 0.749999 0.500000 Cu\n0.626623 0.626621 0.253244 Ge\n0.373379 0.373378 0.746755 Ge\n",
"nsites": 5,
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"formula_full": "Sr1 Cu2 Ge2",
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"spacegroup": 139
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{
"id": "jvasp-15628",
"created_at": "2022-09-04T14:36:52.363598Z",
"updated_at": "2022-09-04T14:36:52.363622Z",
"structure_string": "Ho1 Si2 Ru2\n1.0\n3.886784 -0.000000 -1.553239\n-0.620707 3.836901 -1.553239\n-0.012140 -0.014261 5.609332\nHo Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.630725 0.630726 0.261453 Si\n0.369273 0.369274 0.738545 Si\n0.749999 0.250000 0.499999 Ru\n0.249999 0.750000 0.499999 Ru\n",
"nsites": 5,
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"elements": [
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],
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"density": 8.418794303767989,
"density_atomic": 0.059893920971961785,
"volume": 83.48092625862074,
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"formula_full": "Ho1 Si2 Ru2",
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{
"id": "jvasp-2466",
"created_at": "2022-09-04T14:36:49.166095Z",
"updated_at": "2022-09-04T14:36:49.166107Z",
"structure_string": "Ca1 Mg2 N2\n1.0\n1.771303 -3.067986 0.000000\n1.771303 3.067986 0.000000\n0.000000 0.000000 6.079305\nCa Mg N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.858950 Mg\n0.666666 0.333332 0.141049 Mg\n0.333332 0.666666 0.233668 N\n0.666666 0.333332 0.766331 N\n",
"nsites": 5,
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"formula_full": "Ca1 Mg2 N2",
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{
"id": "jvasp-104890",
"created_at": "2022-09-04T14:36:58.565815Z",
"updated_at": "2022-09-04T14:36:58.565834Z",
"structure_string": "Ho4 Cd2 Pd4\n1.0\n7.680887 0.000000 0.000000\n0.000000 7.680887 0.000000\n-0.000000 -0.000000 3.671783\nHo Cd Pd\n4 2 4\ndirect\n0.670829 0.170829 0.500000 Ho\n0.329172 0.829172 0.500000 Ho\n0.170829 0.329172 0.500000 Ho\n0.829172 0.670829 0.500000 Ho\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.129467 0.629468 -0.000000 Pd\n0.870533 0.370533 -0.000000 Pd\n0.629468 0.870533 -0.000000 Pd\n0.370533 0.129467 -0.000000 Pd\n",
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"elements": [
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"volume": 216.62060205460762,
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"formula_full": "Ho4 Cd2 Pd4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
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{
"id": "jvasp-15330",
"created_at": "2022-09-04T14:36:48.941222Z",
"updated_at": "2022-09-04T14:36:48.941239Z",
"structure_string": "Dy1 Si2 Ru2\n1.0\n3.890908 -0.000000 -1.554629\n-0.621158 3.841006 -1.554629\n-0.009514 -0.011177 5.622563\nDy Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.631099 0.631099 0.262197 Si\n0.368902 0.368901 0.737803 Si\n0.750001 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
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},
{
"id": "jvasp-107263",
"created_at": "2022-09-04T14:37:00.844324Z",
"updated_at": "2022-09-04T14:37:00.844346Z",
"structure_string": "Ba1 Mg2 In2\n1.0\n4.569038 -0.022807 -5.492423\n-0.614700 4.527557 -5.492423\n0.020020 0.022807 7.144398\nBa Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500001 Mg\n0.250000 0.750001 0.500001 Mg\n0.383829 0.383829 0.000000 In\n0.616172 0.616171 0.000001 In\n",
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"formula_full": "Ba1 Mg2 In2",
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"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-14268",
"created_at": "2022-09-04T14:37:02.058158Z",
"updated_at": "2022-09-04T14:37:02.058180Z",
"structure_string": "Yb4 Al2 Si4\n1.0\n6.841599 -0.000000 -0.000000\n0.000000 6.841599 0.000000\n-0.000000 0.000000 4.542394\nYb Al Si\n4 2 4\ndirect\n0.325931 0.825931 0.500000 Yb\n0.825931 0.674069 0.500000 Yb\n0.174069 0.325931 0.500000 Yb\n0.674069 0.174069 0.500000 Yb\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.624326 0.875675 0.000000 Si\n0.875675 0.375674 0.000000 Si\n0.375674 0.124326 0.000000 Si\n0.124326 0.624326 0.000000 Si\n",
"nsites": 10,
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],
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"density": 6.704581850015185,
"density_atomic": 0.04703270607510009,
"volume": 212.6180021203196,
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"formula_full": "Yb4 Al2 Si4",
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},
{
"id": "jvasp-7888",
"created_at": "2022-09-04T14:36:59.236303Z",
"updated_at": "2022-09-04T14:36:59.236324Z",
"structure_string": "Li2 Mn1 O2\n1.0\n1.590790 -2.755329 0.000000\n1.590790 2.755329 -0.000000\n0.000000 0.000000 5.247388\nLi Mn O\n2 1 2\ndirect\n0.666667 0.333333 0.368755 Li\n0.333333 0.666667 0.631246 Li\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.247970 O\n0.666667 0.333333 0.752030 O\n",
"nsites": 5,
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],
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{
"id": "jvasp-102837",
"created_at": "2022-09-04T14:36:47.265792Z",
"updated_at": "2022-09-04T14:36:47.265815Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.570629 -0.000000 0.000000\n-1.785314 3.092256 0.000000\n-0.000000 -0.000000 4.302061\nMn H O\n1 2 2\ndirect\n0.333334 0.666667 0.967822 Mn\n0.000000 0.000000 0.021256 H\n0.666667 0.333334 0.435149 H\n0.000000 0.000000 0.790264 O\n0.666667 0.333334 0.207983 O\n",
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"formula_full": "Mn1 H2 O2",
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},
{
"id": "jvasp-8378",
"created_at": "2022-09-04T14:36:47.026172Z",
"updated_at": "2022-09-04T14:36:47.026192Z",
"structure_string": "Mg1 Cu2 N2\n1.0\n3.584339 0.000000 0.000000\n0.000000 3.584327 0.000000\n0.000000 0.000000 5.345262\nMg Cu N\n1 2 2\ndirect\n0.000000 0.000000 0.750011 Mg\n0.500000 0.500000 0.022717 Cu\n0.500000 0.500000 0.477285 Cu\n0.000000 0.500000 0.528258 N\n0.500000 0.000000 0.971730 N\n",
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