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{
"id": "jvasp-118783",
"created_at": "2022-09-04T14:38:50.151285Z",
"updated_at": "2022-09-04T14:38:50.151306Z",
"structure_string": "Na2 F2\n1.0\n5.604760 0.526424 0.657235\n0.206626 -3.171746 0.778005\n-0.678148 0.889531 -3.075117\nNa F\n2 2\ndirect\n0.070477 0.102978 0.122152 Na\n0.570477 0.603076 0.122243 Na\n0.820484 0.352997 0.622236 F\n0.320481 0.852976 0.622218 F\n",
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{
"id": "jvasp-123606",
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"updated_at": "2022-09-04T14:38:54.956555Z",
"structure_string": "P3 Pt1\n1.0\n3.238146 0.000000 -1.036895\n0.190207 3.736149 0.594003\n0.001011 0.936402 5.577847\nP Pt\n3 1\ndirect\n0.603655 -0.053301 0.207308 P\n0.130961 0.299600 0.261921 P\n0.893601 0.620946 0.787201 P\n0.371786 0.132753 0.743573 Pt\n",
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{
"id": "jvasp-123713",
"created_at": "2022-09-04T14:38:54.959032Z",
"updated_at": "2022-09-04T14:38:54.959059Z",
"structure_string": "Tb1 Se2\n1.0\n2.163166 -3.650308 -0.594873\n2.079678 3.602107 -0.000000\n-0.720240 0.415831 5.878764\nTb Se\n1 2\ndirect\n-0.000000 0.333351 0.166667 Tb\n0.771527 0.719089 0.429461 Se\n0.228474 -0.052438 0.903872 Se\n",
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"elements": [
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"volume": 88.377728924975,
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"formula_full": "Tb1 Se2",
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{
"id": "jvasp-118392",
"created_at": "2022-09-04T14:38:50.163263Z",
"updated_at": "2022-09-04T14:38:50.163296Z",
"structure_string": "Ge2 P2\n1.0\n5.230820 -1.001428 0.105493\n-3.548119 -4.837670 -0.412999\n-1.576824 -1.492942 -3.062809\nGe P\n2 2\ndirect\n0.083942 0.156195 0.026670 Ge\n0.616488 0.259191 0.690689 Ge\n0.529815 0.538436 0.868194 P\n0.170616 0.876945 0.849174 P\n",
"nsites": 4,
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"density": 4.083717966404873,
"density_atomic": 0.04746999616967833,
"volume": 84.26375232267277,
"volume_molar": 12.686204436322809,
"formula_full": "Ge2 P2",
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"spacegroup": 12
},
{
"id": "jvasp-121292",
"created_at": "2022-09-04T14:38:50.109164Z",
"updated_at": "2022-09-04T14:38:50.109188Z",
"structure_string": "Au1 Br2\n1.0\n6.399399 -0.148431 0.636865\n2.069275 -5.953274 0.982484\n-0.559769 2.954428 -2.758204\nAu Br\n1 2\ndirect\n0.965326 0.064222 0.147837 Au\n0.235092 0.485606 0.817440 Br\n0.695578 0.642776 0.478122 Br\n",
"nsites": 3,
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"elements": [
"Au",
"Br"
],
"chemical_system": "Au-Br",
"density": 6.769903791091073,
"density_atomic": 0.03428157479663054,
"volume": 87.5105655967375,
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"formula_full": "Au1 Br2",
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"spacegroup": 2
},
{
"id": "jvasp-115480",
"created_at": "2022-09-04T14:38:50.298475Z",
"updated_at": "2022-09-04T14:38:50.298491Z",
"structure_string": "B2 Br2\n1.0\n5.438144 0.415854 0.553375\n-0.653265 -6.085429 -0.024879\n-1.564682 -0.667219 -2.721929\nB Br\n2 2\ndirect\n0.167533 0.047864 -0.037032 B\n0.361903 0.842185 0.260019 B\n0.533445 0.675213 0.014878 Br\n-0.004033 0.214822 0.208097 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
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"density": 3.57649474991082,
"density_atomic": 0.04748532176334031,
"volume": 84.23655671820858,
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"formula_full": "B2 Br2",
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"spacegroup": 12
},
{
"id": "jvasp-122999",
"created_at": "2022-09-04T14:38:54.960630Z",
"updated_at": "2022-09-04T14:38:54.960658Z",
"structure_string": "Tl1 V1\n1.0\n3.315845 -0.000000 0.000000\n-0.000000 3.315845 0.000000\n0.000000 -0.000000 3.315845\nTl V\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 V\n",
"nsites": 2,
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"elements": [
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],
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"density": 11.629456924661312,
"density_atomic": 0.05485892994873155,
"volume": 36.45714566195697,
"volume_molar": 10.977503144206413,
"formula_full": "Tl1 V1",
"formula_reduced": "TlV",
"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-118802",
"created_at": "2022-09-04T14:38:50.219641Z",
"updated_at": "2022-09-04T14:38:50.219672Z",
"structure_string": "Na3 Se1\n1.0\n3.977003 -0.414576 0.353239\n-0.852463 -7.895594 0.342584\n0.218686 -1.381194 -4.083933\nNa Se\n3 1\ndirect\n0.898825 0.894302 0.010774 Na\n0.398742 0.262558 0.326989 Na\n0.398610 0.583252 0.666661 Na\n0.898651 0.528600 0.193957 Se\n",
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"elements": [
"Na",
"Se"
],
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"density": 1.853084421183092,
"density_atomic": 0.030175319255747023,
"volume": 132.55866379071307,
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"formula_full": "Na3 Se1",
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"formula_anonymous": "AB3",
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"spacegroup": 38
},
{
"id": "jvasp-123778",
"created_at": "2022-09-04T14:38:55.414514Z",
"updated_at": "2022-09-04T14:38:55.414548Z",
"structure_string": "Ac1 Bi5\n1.0\n2.368842 -4.102966 0.000000\n2.368842 4.102966 -0.000000\n0.000000 -0.000000 11.488933\nAc Bi\n1 5\ndirect\n0.000000 0.000000 0.249999 Ac\n0.666666 0.333333 0.069744 Bi\n0.666666 0.333333 0.589336 Bi\n0.333333 0.666666 0.430289 Bi\n0.333333 0.666666 0.910637 Bi\n0.000000 0.000000 0.749994 Bi\n",
"nsites": 6,
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"elements": [
"Ac",
"Bi"
],
"chemical_system": "Ac-Bi",
"density": 9.457123109583199,
"density_atomic": 0.026866280532733038,
"volume": 223.32827176020095,
"volume_molar": 22.415238137124387,
"formula_full": "Ac1 Bi5",
"formula_reduced": "AcBi5",
"formula_anonymous": "AB5",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-122914",
"created_at": "2022-09-04T14:38:54.969255Z",
"updated_at": "2022-09-04T14:38:54.969282Z",
"structure_string": "Ac1 V1\n1.0\n3.734301 0.000000 0.000000\n0.000000 3.734301 0.000000\n-0.000000 -0.000000 3.734301\nAc V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
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"elements": [
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"density": 8.86287311178296,
"density_atomic": 0.03840626134321138,
"volume": 52.07484222760767,
"volume_molar": 15.680101497472267,
"formula_full": "Ac1 V1",
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"spacegroup": 221
},
{
"id": "jvasp-118112",
"created_at": "2022-09-04T14:38:50.710155Z",
"updated_at": "2022-09-04T14:38:50.710184Z",
"structure_string": "Cl1 O3\n1.0\n6.186064 -0.766959 0.056865\n-2.962253 -4.273488 -0.622347\n-0.100019 1.657610 -1.987011\nCl O\n1 3\ndirect\n0.906000 -0.002708 -0.029383 Cl\n0.567511 0.262145 0.770419 O\n0.373043 0.702133 0.202662 O\n0.359327 0.956978 0.521356 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.1970260470821117,
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"volume": 63.073434171930344,
"volume_molar": 9.495927469998964,
"formula_full": "Cl1 O3",
"formula_reduced": "ClO3",
"formula_anonymous": "AB3",
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"spacegroup": 1
},
{
"id": "jvasp-123707",
"created_at": "2022-09-04T14:38:54.970748Z",
"updated_at": "2022-09-04T14:38:54.970764Z",
"structure_string": "Sc1 Se2\n1.0\n2.034582 -3.412139 -0.575863\n1.937709 3.356209 -0.000000\n-0.711156 0.410586 5.788528\nSc Se\n1 2\ndirect\n-0.000000 0.333323 0.166667 Sc\n0.777354 0.722016 0.421941 Se\n0.222643 -0.055340 0.911393 Se\n",
"nsites": 3,
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"volume": 75.96644269444859,
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"formula_full": "Sc1 Se2",
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"spacegroup": 12
}
]
}