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{
"id": "jvasp-118504",
"created_at": "2022-09-04T14:38:51.059760Z",
"updated_at": "2022-09-04T14:38:51.059790Z",
"structure_string": "Sr1 H1 Se1\n1.0\n5.025273 -0.000000 -0.000000\n-2.512636 4.352014 0.000000\n-0.000000 0.000000 5.092352\nSr H Se\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 H\n0.333332 0.666666 0.000000 Se\n",
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"volume": 111.37003588706796,
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{
"id": "jvasp-101433",
"created_at": "2022-09-04T14:37:05.670723Z",
"updated_at": "2022-09-04T14:37:05.670745Z",
"structure_string": "Tb1 H1 Se1\n1.0\n3.852875 0.000000 0.000000\n-1.926438 3.336687 0.000000\n-0.000000 -0.000000 3.923687\nTb H Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666668 0.000000 H\n0.666668 0.333333 0.500000 Se\n",
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{
"id": "jvasp-2050",
"created_at": "2022-09-04T14:36:52.785275Z",
"updated_at": "2022-09-04T14:36:52.785306Z",
"structure_string": "Y1 H1 Se1\n1.0\n1.920495 -3.326395 0.000000\n1.920495 3.326395 0.000000\n0.000000 0.000000 3.914525\nY H Se\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Y\n0.000000 0.000000 0.000000 H\n0.333334 0.666668 0.500001 Se\n",
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"volume": 50.0145155713435,
"volume_molar": 10.039815093794749,
"formula_full": "Y1 H1 Se1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-118509",
"created_at": "2022-09-04T14:38:50.889501Z",
"updated_at": "2022-09-04T14:38:50.889528Z",
"structure_string": "Zn1 H1 Se2\n1.0\n3.569807 -0.000000 -0.000000\n-0.000000 3.569807 -0.000000\n0.000000 -0.000000 6.228280\nZn H Se\n1 1 2\ndirect\n0.500000 0.500000 0.478971 Zn\n0.000000 0.000000 0.836825 H\n0.000000 0.000000 0.596284 Se\n0.500000 0.500000 0.097919 Se\n",
"nsites": 4,
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"elements": [
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"H",
"Se"
],
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"density": 4.693450987260641,
"density_atomic": 0.05039673360118435,
"volume": 79.3702233095916,
"volume_molar": 11.949466423074842,
"formula_full": "Zn1 H1 Se2",
"formula_reduced": "ZnHSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9372492833333332,
"spacegroup": 99
},
{
"id": "jvasp-118507",
"created_at": "2022-09-04T14:38:34.285305Z",
"updated_at": "2022-09-04T14:38:34.285340Z",
"structure_string": "Zn1 H1 Se1\n1.0\n4.184679 0.000000 -0.000000\n-2.092340 3.624039 0.000000\n0.000000 -0.000000 4.131739\nZn H Se\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Zn\n0.000000 0.000000 0.000000 H\n0.333335 0.666668 0.000000 Se\n",
"nsites": 3,
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"elements": [
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"H",
"Se"
],
"chemical_system": "H-Se-Zn",
"density": 3.8526249153904146,
"density_atomic": 0.04787770923775522,
"volume": 62.65963948070998,
"volume_molar": 12.578172297456293,
"formula_full": "Zn1 H1 Se1",
"formula_reduced": "ZnHSe",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-29215",
"created_at": "2022-09-04T14:37:46.534656Z",
"updated_at": "2022-09-04T14:37:46.534677Z",
"structure_string": "Si6 H2\n1.0\n-1.940327 -3.360744 0.000000\n1.940334 -3.360748 0.000030\n0.000087 -2.240546 11.275275\nSi H\n6 2\ndirect\n0.415966 0.415912 0.752157 Si\n0.584036 0.584088 0.247842 Si\n0.345243 0.345239 0.964276 Si\n0.654759 0.654760 0.035723 Si\n0.771987 0.771945 0.684084 Si\n0.228015 0.228054 0.315916 Si\n0.816470 0.816541 0.550520 H\n0.183532 0.183458 0.449479 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "H-Si",
"density": 1.9256567794133181,
"density_atomic": 0.054402872686821376,
"volume": 147.05105824196542,
"volume_molar": 11.069527145500922,
"formula_full": "Si6 H2",
"formula_reduced": "Si3H",
"formula_anonymous": "AB3",
"energy_above_hull": 2.99612895,
"spacegroup": 166
},
{
"id": "jvasp-5281",
"created_at": "2022-09-04T14:35:42.952146Z",
"updated_at": "2022-09-04T14:35:42.952162Z",
"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
"nsites": 20,
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"elements": [
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"chemical_system": "H-Si",
"density": 0.8393836025485371,
"density_atomic": 0.07869423182316994,
"volume": 254.14823344284048,
"volume_molar": 7.652582178490624,
"formula_full": "Si4 H16",
"formula_reduced": "SiH4",
"formula_anonymous": "AB4",
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"spacegroup": 14
},
{
"id": "jvasp-5722",
"created_at": "2022-09-04T14:37:56.384679Z",
"updated_at": "2022-09-04T14:37:56.384698Z",
"structure_string": "Si2 H2\n1.0\n1.954034 -3.384487 -0.000000\n1.954034 3.384487 0.000000\n0.000000 0.000000 5.002141\nSi H\n2 2\ndirect\n0.333332 0.666666 0.928036 Si\n0.666666 0.333332 0.071964 Si\n0.333332 0.666666 0.627040 H\n0.666666 0.333332 0.372960 H\n",
"nsites": 4,
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"elements": [
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"density": 1.4603712575720524,
"density_atomic": 0.06045734899686203,
"volume": 66.16234529581533,
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"formula_full": "Si2 H2",
"formula_reduced": "SiH",
"formula_anonymous": "AB",
"energy_above_hull": 1.9223643,
"spacegroup": 164
},
{
"id": "jvasp-12058",
"created_at": "2022-09-04T14:37:04.133132Z",
"updated_at": "2022-09-04T14:37:04.133143Z",
"structure_string": "Si6 H2\n1.0\n-1.939104 -3.358626 0.000000\n-1.939139 3.358646 -0.000013\n-0.000036 0.000021 -11.374605\nSi H\n6 2\ndirect\n0.666666 0.333333 0.464546 Si\n0.333334 0.666667 0.535454 Si\n0.666662 0.333325 0.254296 Si\n0.333338 0.666675 0.745704 Si\n0.333323 0.666648 0.186629 Si\n0.666677 0.333352 0.813372 Si\n0.333335 0.666671 0.054110 H\n0.666665 0.333329 0.945890 H\n",
"nsites": 8,
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"density": 1.911229134493574,
"density_atomic": 0.05399526872638007,
"volume": 148.16112946006135,
"volume_molar": 11.153089709613402,
"formula_full": "Si6 H2",
"formula_reduced": "Si3H",
"formula_anonymous": "AB3",
"energy_above_hull": 2.99625395,
"spacegroup": 164
},
{
"id": "jvasp-33859",
"created_at": "2022-09-04T14:38:06.440025Z",
"updated_at": "2022-09-04T14:38:06.440067Z",
"structure_string": "Si1 H8\n1.0\n-2.700656 2.700656 3.729819\n2.700656 -2.700656 3.729819\n2.700656 2.700656 -3.729819\nSi H\n1 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.449594 0.449594 0.000000 H\n0.550405 0.550405 0.000000 H\n0.699566 0.199563 0.500003 H\n0.800440 0.300437 0.500003 H\n0.115654 0.341996 0.226343 H\n0.115654 0.889315 0.773661 H\n0.658005 0.884348 0.773661 H\n0.110688 0.884348 0.226345 H\n",
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"density": 0.5516445597979189,
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"volume": 108.81437850360395,
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"formula_full": "Si1 H8",
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"spacegroup": 119
},
{
"id": "jvasp-37213",
"created_at": "2022-09-04T14:37:53.460948Z",
"updated_at": "2022-09-04T14:37:53.460979Z",
"structure_string": "Si3 H1\n1.0\n0.000000 2.945761 2.945761\n2.945761 -0.000000 2.945761\n2.945761 2.945761 0.000000\nSi H\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500001 0.500001 0.500001 Si\n0.249999 0.249999 0.249999 Si\n0.749999 0.749999 0.749999 H\n",
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"volume": 51.123728516099504,
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"formula_full": "Si3 H1",
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},
{
"id": "jvasp-118512",
"created_at": "2022-09-04T14:38:50.917900Z",
"updated_at": "2022-09-04T14:38:50.917926Z",
"structure_string": "Sr1 Si1 H2\n1.0\n3.625900 0.000000 0.000000\n0.000000 3.625900 0.000000\n0.000000 0.000000 4.550300\nSr Si H\n1 1 2\ndirect\n0.500000 0.500000 0.579708 Sr\n0.000000 0.000000 0.003916 Si\n0.000000 0.000000 0.349624 H\n0.500000 0.500000 0.076751 H\n",
"nsites": 4,
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"elements": [
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"density": 3.267629188126776,
"density_atomic": 0.06686337835721702,
"volume": 59.823480330743,
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"formula_full": "Sr1 Si1 H2",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
}
]
}