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{
"id": "jvasp-11492",
"created_at": "2022-09-04T14:38:12.452688Z",
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"structure_string": "Na4 Ni2 O4\n1.0\n2.845353 0.000000 0.000000\n-1.422677 5.026579 0.000000\n0.000000 0.000000 8.316408\nNa Ni O\n4 2 4\ndirect\n0.397071 0.794146 0.152542 Na\n0.849255 0.698513 0.830963 Na\n0.602927 0.205855 0.652541 Na\n0.150744 0.301488 0.330961 Na\n0.121813 0.243628 0.998158 Ni\n0.878185 0.756374 0.498158 Ni\n0.720969 0.441940 0.093319 O\n0.520507 0.041016 0.910322 O\n0.279030 0.558061 0.593318 O\n0.479490 0.958984 0.410322 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:05.822351Z",
"updated_at": "2022-09-04T14:38:05.822367Z",
"structure_string": "Na1 Sn1 S2\n1.0\n3.350984 -0.280952 6.282791\n1.351064 3.079392 6.282791\n-0.472066 -0.280952 7.104907\nNa Sn S\n1 1 2\ndirect\n0.499998 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Sn\n0.255218 0.255219 0.255220 S\n0.744778 0.744781 0.744783 S\n",
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{
"id": "jvasp-64721",
"created_at": "2022-09-04T14:35:43.884875Z",
"updated_at": "2022-09-04T14:35:43.884895Z",
"structure_string": "Ba4 Nb1 Hg1\n1.0\n-0.000000 4.968883 4.968883\n4.968883 0.000000 4.968883\n4.968883 4.968883 -0.000000\nBa Nb Hg\n4 1 1\ndirect\n0.125039 0.624987 0.624987 Ba\n0.624987 0.624987 0.624987 Ba\n0.624987 0.125039 0.624987 Ba\n0.624987 0.624987 0.125039 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Hg\n",
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"elements": [
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"density_atomic": 0.02445372041546198,
"volume": 245.36143777149863,
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-25821",
"created_at": "2022-09-04T14:37:37.709792Z",
"updated_at": "2022-09-04T14:37:37.709815Z",
"structure_string": "Ba12 Bi4 Cl12 O12\n1.0\n7.089871 0.000000 0.000000\n-0.000000 12.163112 0.000000\n0.000000 0.000000 12.084775\nBa Bi Cl O\n12 4 12 12\ndirect\n0.173696 0.068899 0.888523 Ba\n0.847769 0.750000 0.472815 Ba\n0.152231 0.250000 0.527184 Ba\n0.826304 0.931101 0.111477 Ba\n0.326304 0.568899 0.388523 Ba\n0.826304 0.568899 0.111477 Ba\n0.673696 0.431101 0.611476 Ba\n0.326304 0.931101 0.388523 Ba\n0.173696 0.431101 0.888523 Ba\n0.673696 0.068899 0.611476 Ba\n0.652231 0.250000 0.972815 Ba\n0.347769 0.750000 0.027185 Ba\n0.098190 0.250000 0.131818 Bi\n0.598190 0.250000 0.368182 Bi\n0.901810 0.750000 0.868182 Bi\n0.401810 0.750000 0.631818 Bi\n0.387370 0.495623 0.135746 Cl\n0.112630 0.995623 0.635745 Cl\n0.418495 0.250000 0.734062 Cl\n0.887370 0.495623 0.364254 Cl\n0.612630 0.504377 0.864254 Cl\n0.387370 0.004377 0.135746 Cl\n0.581505 0.750000 0.265938 Cl\n0.612630 0.995623 0.864254 Cl\n0.112630 0.504377 0.635745 Cl\n0.081505 0.750000 0.234062 Cl\n0.887370 0.004377 0.364254 Cl\n0.918495 0.250000 0.765938 Cl\n0.429528 0.126981 0.444463 O\n0.570472 0.873019 0.555536 O\n0.929528 0.373019 0.055537 O\n0.788980 0.250000 0.501243 O\n0.288980 0.250000 0.998757 O\n0.570472 0.626981 0.555536 O\n0.929528 0.126981 0.055537 O\n0.429528 0.373019 0.444463 O\n0.070472 0.873019 0.944463 O\n0.211020 0.750000 0.498757 O\n0.711020 0.750000 0.001243 O\n0.070472 0.626981 0.944463 O\n",
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],
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"density_atomic": 0.03838295291993559,
"volume": 1042.1293036895172,
"volume_molar": 15.68962339234765,
"formula_full": "Ba12 Bi4 Cl12 O12",
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{
"id": "jvasp-107979",
"created_at": "2022-09-04T14:35:57.965484Z",
"updated_at": "2022-09-04T14:35:57.965502Z",
"structure_string": "Sc2 Cd1 Hg1\n1.0\n4.299768 -0.000000 2.482472\n1.433256 4.053860 2.482472\n-0.000000 -0.000000 4.964944\nSc Cd Hg\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Sc\n0.250000 0.250000 0.249999 Sc\n0.500001 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"density_atomic": 0.04622020500370027,
"volume": 86.54223839292297,
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"formula_full": "Sc2 Cd1 Hg1",
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"spacegroup": 225
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{
"id": "jvasp-79360",
"created_at": "2022-09-04T14:37:14.806541Z",
"updated_at": "2022-09-04T14:37:14.806553Z",
"structure_string": "Zn1 Ni3\n1.0\n-1.802878 1.802878 3.508219\n1.802878 -1.802878 3.508219\n1.802878 1.802878 -3.508219\nZn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.499999 0.499999 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ni-Zn",
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"density_atomic": 0.08769616973793447,
"volume": 45.61202629434489,
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"formula_full": "Zn1 Ni3",
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},
{
"id": "jvasp-115330",
"created_at": "2022-09-04T14:38:46.140358Z",
"updated_at": "2022-09-04T14:38:46.140386Z",
"structure_string": "Sr1 Sn1 O1\n1.0\n5.046304 0.000000 0.000000\n-2.523152 4.370228 -0.000000\n-0.000000 0.000000 3.687881\nSr Sn O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"volume": 81.33068008322122,
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"formula_full": "Sr1 Sn1 O1",
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},
{
"id": "jvasp-91524",
"created_at": "2022-09-04T14:37:41.199800Z",
"updated_at": "2022-09-04T14:37:41.199811Z",
"structure_string": "Ho2 Ag2 Se4\n1.0\n5.645398 0.000000 0.000000\n0.000000 5.645398 0.000000\n-2.822699 -2.822699 6.139808\nHo Ag Se\n2 2 4\ndirect\n0.252205 0.752205 0.504410 Ho\n0.002205 0.002205 0.004410 Ho\n0.786528 0.286528 0.573055 Ag\n0.536528 0.536528 0.073055 Ag\n0.483172 0.983172 0.966343 Se\n0.233172 0.233172 0.466343 Se\n0.018095 0.518095 0.036191 Se\n0.768095 0.768095 0.536191 Se\n",
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{
"id": "jvasp-79718",
"created_at": "2022-09-04T14:37:06.405662Z",
"updated_at": "2022-09-04T14:37:06.405687Z",
"structure_string": "Li2 Sn1 Bi1\n1.0\n-9.349707 0.000000 -5.398056\n-6.277303 -0.550559 0.076497\n-4.949467 3.205128 -2.223383\nLi Sn Bi\n2 1 1\ndirect\n0.750084 -0.000000 -0.000000 Li\n0.249917 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 -0.000000 Bi\n",
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{
"id": "jvasp-114966",
"created_at": "2022-09-04T14:38:43.497162Z",
"updated_at": "2022-09-04T14:38:43.497177Z",
"structure_string": "In1 Ga1 O2\n1.0\n2.918697 0.000000 0.000000\n0.000000 2.918697 -0.000000\n0.000000 -0.000000 7.027622\nIn Ga O\n1 1 2\ndirect\n0.500000 0.500000 0.536320 In\n0.000000 0.000000 0.088522 Ga\n0.000000 0.000000 0.352498 O\n0.500000 0.500000 0.032660 O\n",
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{
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"structure_string": "Li1 La1 Au2\n1.0\n4.376289 -0.000000 2.526652\n1.458763 4.126005 2.526652\n-0.000000 -0.000000 5.053303\nLi La Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 0.500000 La\n0.750000 0.749999 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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