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{
"id": "jvasp-116270",
"created_at": "2022-09-04T14:38:42.013876Z",
"updated_at": "2022-09-04T14:38:42.013905Z",
"structure_string": "Li2 H2\n1.0\n3.913426 -0.211062 0.799352\n-0.136536 -2.825892 -0.077844\n0.432521 -2.773073 -2.849765\nLi H\n2 2\ndirect\n0.995795 0.968588 0.871863 Li\n0.495794 0.968596 0.371843 Li\n0.995859 -0.031405 0.371815 H\n0.495858 -0.031528 0.871910 H\n",
"nsites": 4,
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{
"id": "jvasp-116268",
"created_at": "2022-09-04T14:38:41.467088Z",
"updated_at": "2022-09-04T14:38:41.467114Z",
"structure_string": "Li2 H2\n1.0\n3.147277 0.721929 0.307936\n-0.936832 -3.095015 -0.255251\n-0.592670 -2.864536 -4.313323\nLi H\n2 2\ndirect\n0.971297 0.937148 0.053156 Li\n0.638078 0.770553 0.553142 Li\n0.971423 0.437211 0.553116 H\n0.637957 0.270550 0.053141 H\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li2 H2",
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},
{
"id": "jvasp-116265",
"created_at": "2022-09-04T14:38:40.951102Z",
"updated_at": "2022-09-04T14:38:40.951127Z",
"structure_string": "Li2 H1\n1.0\n2.652844 0.000000 -0.231936\n0.000000 3.060337 0.000000\n-0.652010 0.000000 5.212943\nLi H\n2 1\ndirect\n-0.138806 0.000000 -0.109549 Li\n0.072141 0.000000 0.376208 Li\n0.466665 0.000000 0.133342 H\n",
"nsites": 3,
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"elements": [
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"chemical_system": "H-Li",
"density": 0.5906814998120947,
"density_atomic": 0.07166920358494988,
"volume": 41.85898335599731,
"volume_molar": 8.402689661343768,
"formula_full": "Li2 H1",
"formula_reduced": "Li2H",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0995833333333336,
"spacegroup": 10
},
{
"id": "jvasp-116264",
"created_at": "2022-09-04T14:38:41.894305Z",
"updated_at": "2022-09-04T14:38:41.894333Z",
"structure_string": "Li2 H2\n1.0\n2.852688 -0.212087 0.379888\n-0.158670 -4.707328 -1.156873\n-0.913479 0.711997 -2.643923\nLi H\n2 2\ndirect\n0.016984 0.229074 0.172038 Li\n0.648421 0.749402 0.540378 Li\n0.360409 0.066775 -0.172865 H\n-0.005905 0.596823 0.193145 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "H-Li",
"density": 0.7324495362866565,
"density_atomic": 0.11098119267825121,
"volume": 36.04214284844204,
"volume_molar": 5.426271438133632,
"formula_full": "Li2 H2",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy_above_hull": 0.8438399999999999,
"spacegroup": 8
},
{
"id": "jvasp-116273",
"created_at": "2022-09-04T14:38:41.504384Z",
"updated_at": "2022-09-04T14:38:41.504409Z",
"structure_string": "Li1 H2\n1.0\n4.446406 0.000000 0.014345\n0.000000 2.715440 0.000000\n-0.005973 0.000000 2.310419\nLi H\n1 2\ndirect\n0.466663 0.000000 0.133198 Li\n-0.125702 0.000000 -0.366582 H\n0.059040 0.000000 0.633385 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
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],
"chemical_system": "H-Li",
"density": 0.5331656444558781,
"density_atomic": 0.10754186369870965,
"volume": 27.89611316765748,
"volume_molar": 5.5998106717507605,
"formula_full": "Li1 H2",
"formula_reduced": "LiH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.82135,
"spacegroup": 47
},
{
"id": "jvasp-116261",
"created_at": "2022-09-04T14:38:40.973861Z",
"updated_at": "2022-09-04T14:38:40.973887Z",
"structure_string": "Li2 H1\n1.0\n2.819996 0.096156 0.078859\n1.493962 -2.392792 0.267038\n-1.245853 0.188724 -4.962758\nLi H\n2 1\ndirect\n-0.197601 0.652143 0.226185 Li\n0.308658 0.175759 0.752283 Li\n0.055574 -0.086040 0.989208 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"H"
],
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"density": 0.7312376968156507,
"density_atomic": 0.08872331938403744,
"volume": 33.812981985204466,
"volume_molar": 6.787551234341517,
"formula_full": "Li2 H1",
"formula_reduced": "Li2H",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0642933333333335,
"spacegroup": 166
},
{
"id": "jvasp-116275",
"created_at": "2022-09-04T14:38:41.529577Z",
"updated_at": "2022-09-04T14:38:41.529603Z",
"structure_string": "Li1 H1\n1.0\n2.679879 0.000000 -0.000000\n0.000000 2.679879 0.000000\n0.000000 -0.000000 3.441947\nLi H\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "H-Li",
"density": 0.533978494590744,
"density_atomic": 0.08090874150137335,
"volume": 24.71920787404723,
"volume_molar": 7.443127464660638,
"formula_full": "Li1 H1",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy_above_hull": 0.908435,
"spacegroup": 123
},
{
"id": "jvasp-116283",
"created_at": "2022-09-04T14:38:42.106978Z",
"updated_at": "2022-09-04T14:38:42.106993Z",
"structure_string": "Li2 H2\n1.0\n5.246216 -0.045238 -0.056863\n-1.777866 -3.880915 0.352354\n1.736587 1.381283 -2.059495\nLi H\n2 2\ndirect\n0.053286 0.041514 0.883876 Li\n0.553323 0.541449 0.383761 Li\n0.303278 0.041528 0.133873 H\n0.803294 0.541586 0.633926 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"density": 0.6722003407763181,
"density_atomic": 0.10185219846857282,
"volume": 39.27259362235786,
"volume_molar": 5.912627170102933,
"formula_full": "Li2 H2",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy_above_hull": 0.8391549999999999,
"spacegroup": 216
},
{
"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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"elements": [
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"H"
],
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"density": 0.7435038038503072,
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"volume": 20.004267735855056,
"volume_molar": 4.0156172035348545,
"formula_full": "Li1 H2",
"formula_reduced": "LiH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7645433333333336,
"spacegroup": 139
},
{
"id": "jvasp-116269",
"created_at": "2022-09-04T14:38:41.533037Z",
"updated_at": "2022-09-04T14:38:41.533073Z",
"structure_string": "Li1 H1\n1.0\n4.145088 -0.000000 -0.000000\n0.000000 4.145088 -0.000000\n0.000000 0.000000 3.319989\nLi H\n1 1\ndirect\n0.000000 0.000000 -0.161271 Li\n0.000000 0.000000 0.338723 H\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "H-Li",
"density": 0.23139510178677916,
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"volume": 57.04323603281028,
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"formula_full": "Li1 H1",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy_above_hull": 1.0259,
"spacegroup": 123
},
{
"id": "jvasp-116272",
"created_at": "2022-09-04T14:38:41.019631Z",
"updated_at": "2022-09-04T14:38:41.019667Z",
"structure_string": "Li1 H1\n1.0\n3.025021 0.137575 -0.028234\n-1.395385 -2.679018 -0.207064\n0.044911 -1.533106 -2.611107\nLi H\n1 1\ndirect\n0.127468 0.045786 0.797992 Li\n0.377488 0.545757 0.048077 H\n",
"nsites": 2,
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"elements": [
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"volume": 19.634007699634704,
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"spacegroup": 216
},
{
"id": "jvasp-116284",
"created_at": "2022-09-04T14:38:41.651520Z",
"updated_at": "2022-09-04T14:38:41.651555Z",
"structure_string": "Li1 H2\n1.0\n2.932815 0.062857 0.487083\n-0.620277 -2.845514 -0.602587\n-1.511390 -1.139651 -2.810777\nLi H\n1 2\ndirect\n0.163854 0.063123 0.919243 Li\n0.434305 0.792646 0.693413 H\n0.893153 0.333848 0.144789 H\n",
"nsites": 3,
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"elements": [
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"volume": 19.640072908946188,
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"spacegroup": 71
}
]
}