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{
"id": "jvasp-116263",
"created_at": "2022-09-04T14:38:42.177407Z",
"updated_at": "2022-09-04T14:38:42.177440Z",
"structure_string": "Li1 H2\n1.0\n2.912170 0.348191 0.259380\n-1.361135 -2.857528 0.279426\n0.942836 1.060029 -2.605938\nLi H\n1 2\ndirect\n0.130335 0.753260 0.050822 Li\n0.630255 0.502055 0.548106 H\n0.630482 0.004442 0.553439 H\n",
"nsites": 3,
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{
"id": "jvasp-116271",
"created_at": "2022-09-04T14:38:42.310336Z",
"updated_at": "2022-09-04T14:38:42.310360Z",
"structure_string": "Li2 H2\n1.0\n3.975382 -0.226086 -0.373735\n-0.171359 -3.955297 0.570059\n-0.115442 1.701809 -2.258146\nLi H\n2 2\ndirect\n0.974338 0.124189 0.866716 Li\n0.474268 0.624171 0.866722 Li\n0.974308 0.624092 0.866544 H\n0.474247 0.124113 0.866539 H\n",
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{
"id": "jvasp-116267",
"created_at": "2022-09-04T14:38:41.923522Z",
"updated_at": "2022-09-04T14:38:41.923551Z",
"structure_string": "Li1 H2\n1.0\n3.385924 -0.456978 -0.607339\n-2.130006 -3.754848 0.870512\n1.296883 -1.233862 -1.766517\nLi H\n1 2\ndirect\n0.183821 0.108906 0.852716 Li\n0.042553 0.467703 0.494210 H\n0.325203 0.750131 0.211199 H\n",
"nsites": 3,
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"elements": [
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],
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"density": 0.6538976093351121,
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"volume": 22.745532240087922,
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"formula_full": "Li1 H2",
"formula_reduced": "LiH2",
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"spacegroup": 65
},
{
"id": "jvasp-87071",
"created_at": "2022-09-04T14:35:48.057870Z",
"updated_at": "2022-09-04T14:35:48.057889Z",
"structure_string": "Li6 Ge6\n1.0\n3.997689 -0.000000 -0.685602\n-0.117580 3.995959 -0.685602\n0.014651 0.015089 12.083331\nLi Ge\n6 6\ndirect\n0.375000 0.125000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.462142 0.712143 0.424285 Li\n0.212142 0.962143 0.924285 Li\n0.537858 0.287858 0.575716 Li\n0.787858 0.037858 0.075716 Li\n0.125000 0.375000 0.750000 Ge\n0.875000 0.625000 0.250000 Ge\n0.298336 0.548336 0.096672 Ge\n0.048336 0.798336 0.596672 Ge\n0.701664 0.451665 0.903328 Ge\n0.951664 0.201664 0.403328 Ge\n",
"nsites": 12,
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"elements": [
"Li",
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],
"chemical_system": "Ge-Li",
"density": 4.105886928307659,
"density_atomic": 0.06214103626608765,
"volume": 193.1091066556414,
"volume_molar": 9.691085185984377,
"formula_full": "Li6 Ge6",
"formula_reduced": "LiGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.345412975,
"spacegroup": 141
},
{
"id": "jvasp-20195",
"created_at": "2022-09-04T14:37:33.161724Z",
"updated_at": "2022-09-04T14:37:33.161735Z",
"structure_string": "Li30 Ge8\n1.0\n8.674105 -0.000000 -3.066759\n-4.337052 7.511995 -3.066759\n0.000000 0.000000 9.200277\nLi Ge\n30 8\ndirect\n0.884865 0.470908 0.161025 Li\n0.309883 0.838974 0.223840 Li\n0.086041 0.276159 0.115134 Li\n0.276159 0.115134 0.086041 Li\n0.970907 0.384866 0.661025 Li\n0.413959 0.529092 0.190117 Li\n0.223841 0.309883 0.838975 Li\n0.661025 0.970907 0.384865 Li\n0.529092 0.190117 0.413959 Li\n0.838975 0.223841 0.309883 Li\n0.690117 0.029092 0.913959 Li\n0.809883 0.723840 0.338975 Li\n0.470908 0.161025 0.884866 Li\n0.161025 0.884865 0.470908 Li\n0.913958 0.690117 0.029092 Li\n0.723840 0.338975 0.809883 Li\n0.750000 0.874999 0.125000 Li\n0.029092 0.913958 0.690117 Li\n0.338975 0.809883 0.723841 Li\n0.615134 0.776159 0.586041 Li\n0.115134 0.086041 0.276159 Li\n0.586041 0.615134 0.776159 Li\n0.384866 0.661025 0.970908 Li\n0.776159 0.586041 0.615134 Li\n0.250000 0.625000 0.375000 Li\n0.375000 0.250000 0.625000 Li\n0.125000 0.750000 0.875000 Li\n0.875000 0.125000 0.750000 Li\n0.625000 0.375000 0.250000 Li\n0.190117 0.413959 0.529092 Li\n0.584239 0.500000 -0.000000 Ge\n0.915760 0.915760 0.915760 Ge\n0.084239 0.500000 -0.000000 Ge\n0.500000 0.000000 0.084239 Ge\n-0.000000 0.084239 0.500000 Ge\n0.500000 0.000000 0.584239 Ge\n-0.000000 0.584239 0.500000 Ge\n0.415760 0.415760 0.415761 Ge\n",
"nsites": 38,
"nelements": 2,
"elements": [
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"chemical_system": "Ge-Li",
"density": 2.18644140169228,
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"volume": 599.4885164570189,
"volume_molar": 9.50053744765196,
"formula_full": "Li30 Ge8",
"formula_reduced": "Li15Ge4",
"formula_anonymous": "A4B15",
"energy_above_hull": 0.8848138842105263,
"spacegroup": 220
},
{
"id": "jvasp-40434",
"created_at": "2022-09-04T14:37:56.093723Z",
"updated_at": "2022-09-04T14:37:56.093737Z",
"structure_string": "Li3 Ge1\n1.0\n-0.000000 3.092732 3.092732\n3.092732 0.000000 3.092732\n3.092732 3.092732 -0.000000\nLi Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 4,
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"elements": [
"Li",
"Ge"
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"density": 2.623203330070763,
"density_atomic": 0.06760878508606008,
"volume": 59.16390887527928,
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"formula_full": "Li3 Ge1",
"formula_reduced": "Li3Ge",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-22460",
"created_at": "2022-09-04T14:37:56.416913Z",
"updated_at": "2022-09-04T14:37:56.416943Z",
"structure_string": "Li8 Ge8\n1.0\n5.269471 0.000000 2.208896\n2.634737 6.977515 1.104445\n-0.062740 0.000004 7.539457\nLi Ge\n8 8\ndirect\n0.465804 0.193846 0.535866 Li\n0.001670 0.964135 0.193845 Li\n0.159650 0.535866 0.306154 Li\n0.195516 0.306154 0.964135 Li\n0.534196 0.806154 0.464134 Li\n-0.001670 0.035865 0.806154 Li\n0.840350 0.464134 0.693846 Li\n0.804484 0.693846 0.035866 Li\n0.061489 0.159177 0.447682 Ge\n0.509171 0.052318 0.159177 Ge\n0.720667 0.447682 0.340823 Ge\n0.668349 0.340823 0.052318 Ge\n0.938511 0.840823 0.552318 Ge\n0.490829 0.947682 0.840823 Ge\n0.279333 0.552318 0.659177 Ge\n0.331651 0.659177 0.947682 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Li",
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],
"chemical_system": "Ge-Li",
"density": 3.8003911760303217,
"density_atomic": 0.057517474304232465,
"volume": 278.1763315157013,
"volume_molar": 10.470106403049858,
"formula_full": "Li8 Ge8",
"formula_reduced": "LiGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3376579749999999,
"spacegroup": 88
},
{
"id": "jvasp-110625",
"created_at": "2022-09-04T14:38:37.793366Z",
"updated_at": "2022-09-04T14:38:37.793387Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 0.000000 -0.000000\n0.000000 4.078895 0.000000\n0.000000 0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
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"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 5.288060115018933,
"density_atomic": 0.05894302414694536,
"volume": 67.86214412799677,
"volume_molar": 10.2168846053551,
"formula_full": "Li1 Ga3",
"formula_reduced": "LiGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062974999999999,
"spacegroup": 221
},
{
"id": "jvasp-101580",
"created_at": "2022-09-04T14:36:48.087867Z",
"updated_at": "2022-09-04T14:36:48.087887Z",
"structure_string": "Li1 Ga3\n1.0\n3.717288 0.027560 -3.451256\n-0.688626 3.653051 -3.451256\n-0.022679 -0.027560 5.072365\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.499999 Ga\n0.249999 0.750000 0.499998 Ga\n0.500000 0.500000 -0.000001 Ga\n",
"nsites": 4,
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"elements": [
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"volume": 68.27330908024157,
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"formula_full": "Li1 Ga3",
"formula_reduced": "LiGa3",
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"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-79425",
"created_at": "2022-09-04T14:36:41.977448Z",
"updated_at": "2022-09-04T14:36:41.977465Z",
"structure_string": "Li3 Ga1\n1.0\n-2.227109 2.227109 3.154031\n2.227109 -2.227109 3.154031\n2.227109 2.227109 -3.154031\nLi Ga\n3 1\ndirect\n0.749999 0.249999 0.500000 Li\n0.249999 0.749999 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"volume": 62.576157947064424,
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"formula_full": "Li3 Ga1",
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"spacegroup": 225
},
{
"id": "jvasp-40308",
"created_at": "2022-09-04T14:37:47.760183Z",
"updated_at": "2022-09-04T14:37:47.760215Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 -0.000000 -0.000000\n-0.000000 4.078895 -0.000000\n-0.000000 -0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
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"volume": 67.86214412799677,
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"formula_full": "Li1 Ga3",
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"spacegroup": 221
},
{
"id": "jvasp-8207",
"created_at": "2022-09-04T14:38:07.299357Z",
"updated_at": "2022-09-04T14:38:07.299368Z",
"structure_string": "Li3 Ga2\n1.0\n3.938970 -0.011806 3.410319\n1.551184 3.620698 3.410319\n-0.017959 -0.011806 5.210128\nLi Ga\n3 2\ndirect\n0.596337 0.596336 0.596338 Li\n0.403663 0.403662 0.403664 Li\n0.000000 0.000000 0.000000 Li\n0.202439 0.202439 0.202440 Ga\n0.797560 0.797559 0.797562 Ga\n",
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}
]
}