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{
"id": "jvasp-90780",
"created_at": "2022-09-04T14:35:53.678863Z",
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"structure_string": "Sr4 Mg4\n1.0\n7.843961 0.000000 0.000000\n0.000000 7.843961 -0.000000\n-0.000000 0.000000 7.843961\nSr Mg\n4 4\ndirect\n0.250000 0.250000 0.750000 Sr\n0.250000 0.750000 0.250000 Sr\n0.750000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
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{
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"structure_string": "Sn7 Se1\n1.0\n6.652564 0.000000 0.000000\n-0.000000 6.652564 0.000000\n-0.000000 -0.000000 6.652564\nSn Se\n7 1\ndirect\n0.250400 0.250400 0.750399 Sn\n0.000000 0.500000 0.000000 Sn\n0.250400 0.749600 0.249600 Sn\n0.500000 0.000000 0.000000 Sn\n0.749600 0.250400 0.249600 Sn\n0.500000 0.500000 0.500000 Sn\n0.749600 0.749600 0.750399 Sn\n0.000000 0.000000 0.500000 Se\n",
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{
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"structure_string": "Dy2 Al1 Zn1\n1.0\n-0.000000 3.581248 3.581248\n3.581248 0.000000 3.581248\n3.581248 3.581248 0.000000\nDy Al Zn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Zn\n",
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{
"id": "jvasp-2313",
"created_at": "2022-09-04T14:36:35.465115Z",
"updated_at": "2022-09-04T14:36:35.465130Z",
"structure_string": "K2 Cu2 O4\n1.0\n4.053367 0.000000 -1.517233\n0.000000 5.488600 0.000000\n0.023562 0.000000 6.235954\nK Cu O\n2 2 4\ndirect\n0.299650 0.750000 0.599299 K\n0.700350 0.250000 0.400701 K\n0.997216 0.250000 0.994431 Cu\n0.002785 0.750000 0.005569 Cu\n0.894642 0.505036 0.789282 O\n0.105358 0.494964 0.210718 O\n0.894642 0.994963 0.789282 O\n0.105358 0.005036 0.210718 O\n",
"nsites": 8,
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"elements": [
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"density": 3.218614690967853,
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"volume": 138.9294147109599,
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"formula_full": "K2 Cu2 O4",
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"spacegroup": 63
},
{
"id": "jvasp-1393",
"created_at": "2022-09-04T14:38:12.905029Z",
"updated_at": "2022-09-04T14:38:12.905049Z",
"structure_string": "Ga1 P1\n1.0\n3.367722 0.000000 1.944355\n1.122574 3.175118 1.944355\n0.000000 0.000000 3.888710\nGa P\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 P\n",
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"elements": [
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"volume": 41.5816444832363,
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"spacegroup": 216
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{
"id": "jvasp-17230",
"created_at": "2022-09-04T14:38:17.815952Z",
"updated_at": "2022-09-04T14:38:17.815982Z",
"structure_string": "Ca1 Mg1 Ni4\n1.0\n4.283372 0.000000 2.473006\n1.427790 4.038402 2.473006\n-0.000000 -0.000000 4.946012\nCa Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Mg\n0.624261 0.624261 0.624262 Ni\n0.624261 0.624261 0.127217 Ni\n0.127216 0.624261 0.624261 Ni\n0.624261 0.127216 0.624261 Ni\n",
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{
"id": "jvasp-53518",
"created_at": "2022-09-04T14:38:11.705645Z",
"updated_at": "2022-09-04T14:38:11.705669Z",
"structure_string": "Sr2 Yb4 S8\n1.0\n6.931538 0.143396 -2.538481\n-3.341585 6.074586 -2.538481\n-0.082789 -0.143396 7.381276\nYb Sr S\n4 2 8\ndirect\n0.125547 0.750000 0.875547 Yb\n0.250001 0.625547 0.375547 Yb\n0.374454 0.250000 0.624454 Yb\n0.750001 0.874454 0.124454 Yb\n0.625001 0.375000 0.250001 Sr\n0.875000 0.125000 0.750001 Sr\n0.032065 0.854533 0.511570 S\n0.020495 0.342963 0.488431 S\n0.145467 0.157037 0.177532 S\n0.354533 0.532065 0.011569 S\n0.657038 0.645468 0.677533 S\n0.467936 0.979506 0.822469 S\n0.479507 0.967936 0.322469 S\n0.842963 0.520495 0.988432 S\n",
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"density": 6.03304276838542,
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"volume": 309.3485558420034,
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"formula_anonymous": "AB2C4",
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"spacegroup": 122
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{
"id": "jvasp-67729",
"created_at": "2022-09-04T14:36:02.444920Z",
"updated_at": "2022-09-04T14:36:02.444941Z",
"structure_string": "K1 Be1 Bi1\n1.0\n-1.923200 1.923200 6.162937\n1.923200 -1.923200 6.162937\n1.923200 1.923200 -6.162937\nK Be Bi\n1 1 1\ndirect\n0.674047 0.674047 0.000000 K\n0.930050 0.930050 0.000000 Be\n0.395905 0.395905 0.000000 Bi\n",
"nsites": 3,
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"density": 4.682083466156218,
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"formula_full": "K1 Be1 Bi1",
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"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-16283",
"created_at": "2022-09-04T14:37:55.800445Z",
"updated_at": "2022-09-04T14:37:55.800467Z",
"structure_string": "Sr2 Sb4\n1.0\n0.000000 4.883211 0.056643\n4.392714 0.000000 0.000000\n0.000000 -1.947296 -8.980219\nSr Sb\n2 4\ndirect\n0.412866 0.749999 0.289364 Sr\n0.587133 0.250000 0.710636 Sr\n0.805971 0.749999 0.018351 Sb\n0.194029 0.250000 0.981650 Sb\n0.047002 0.749999 0.613627 Sb\n0.952998 0.250000 0.386374 Sb\n",
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"volume": 192.1461112322597,
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"formula_full": "Sr2 Sb4",
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"spacegroup": 11
},
{
"id": "jvasp-51246",
"created_at": "2022-09-04T14:37:03.487741Z",
"updated_at": "2022-09-04T14:37:03.487750Z",
"structure_string": "Be1 Cu1 Br1\n1.0\n0.000000 3.031933 3.031933\n3.031933 -0.000000 3.031933\n3.031933 3.031933 0.000000\nBe Cu Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Cu\n0.499999 0.499999 0.499999 Br\n",
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"formula_full": "Be1 Cu1 Br1",
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{
"id": "jvasp-85354",
"created_at": "2022-09-04T14:36:00.032221Z",
"updated_at": "2022-09-04T14:36:00.032241Z",
"structure_string": "Ce4 Ga4 Ni4\n1.0\n4.476724 0.000001 -0.000004\n0.000001 6.702644 -0.000561\n-0.000006 -0.000714 7.319447\nCe Ga Ni\n4 4 4\ndirect\n0.749999 0.180059 0.531934 Ce\n0.250000 0.680070 0.968060 Ce\n0.249999 0.819939 0.468067 Ce\n0.749998 0.319930 0.031941 Ce\n0.249999 0.400518 0.321895 Ga\n0.249999 0.099483 0.821892 Ga\n0.749999 0.599482 0.678107 Ga\n0.749999 0.900517 0.178110 Ga\n0.749998 0.923845 0.826248 Ni\n0.750000 0.576190 0.326238 Ni\n0.249998 0.423810 0.673763 Ni\n0.250001 0.076155 0.173753 Ni\n",
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"formula_full": "Ce4 Ga4 Ni4",
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{
"id": "jvasp-86954",
"created_at": "2022-09-04T14:35:47.901385Z",
"updated_at": "2022-09-04T14:35:47.901409Z",
"structure_string": "Na2 Tb2 O4\n1.0\n4.296573 0.000000 -1.751468\n-0.713973 4.236836 -1.751469\n-0.013174 -0.015579 6.113435\nTb Na O\n2 2 4\ndirect\n0.625000 0.375000 0.250000 Tb\n0.375001 0.625000 0.750001 Tb\n0.875000 0.125000 0.750000 Na\n0.125001 0.875001 0.250000 Na\n0.151469 0.401469 0.302937 O\n0.401469 0.151468 0.802938 O\n0.598532 0.848532 0.197063 O\n0.848532 0.598532 0.697064 O\n",
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"formula_full": "Na2 Tb2 O4",
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