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{
"id": "jvasp-106786",
"created_at": "2022-09-04T14:36:45.996608Z",
"updated_at": "2022-09-04T14:36:45.996628Z",
"structure_string": "Li3 Cu2 O4\n1.0\n4.662854 -0.026094 2.255687\n3.842203 2.642039 2.255687\n0.132209 0.040664 7.186068\nLi Cu O\n3 2 4\ndirect\n0.351562 0.351561 0.879459 Li\n0.630980 0.630983 0.134181 Li\n0.990632 0.990635 0.507380 Li\n0.834474 0.834477 0.273946 Cu\n0.148119 0.148118 0.739347 Cu\n0.428948 0.428949 0.349698 O\n0.553497 0.553498 0.663878 O\n0.246856 0.246856 0.185912 O\n0.735921 0.735922 0.827206 O\n",
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{
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"updated_at": "2022-09-04T14:37:15.260517Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.577801 2.067875 4.825770\n-1.577801 2.067875 4.825770\n0.000000 -0.637612 4.437677\nNi H O\n1 2 2\ndirect\n0.942885 0.057113 0.000002 Ni\n0.609456 0.723879 0.224407 H\n0.276119 0.390543 0.775597 H\n0.609507 0.723798 0.442794 O\n0.276200 0.390491 0.557209 O\n",
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{
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"updated_at": "2022-09-04T14:35:50.864714Z",
"structure_string": "Mg2 Si2 Sb4\n1.0\n-6.419866 0.000000 -0.000000\n-0.000000 6.419866 -0.000000\n3.209932 -3.209932 -5.989572\nMg Si Sb\n2 2 4\ndirect\n0.750001 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750001 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.875001 0.848335 0.250000 Sb\n0.375000 0.401666 0.250000 Sb\n0.598335 0.125000 0.750000 Sb\n0.151666 0.625001 0.750000 Sb\n",
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"formula_full": "Mg2 Si2 Sb4",
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"spacegroup": 122
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{
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"created_at": "2022-09-04T14:36:36.001853Z",
"updated_at": "2022-09-04T14:36:36.001880Z",
"structure_string": "Li2 Al1 Ag1\n1.0\n3.848216 0.000000 2.221769\n1.282738 3.628133 2.221769\n0.000000 0.000000 4.443537\nLi Al Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.750001 0.749999 0.750001 Ag\n",
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{
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"created_at": "2022-09-04T14:38:07.150320Z",
"updated_at": "2022-09-04T14:38:07.150348Z",
"structure_string": "Ca8 Ti8 O24\n1.0\n0.000000 7.692849 0.002511\n7.666889 0.000000 0.000000\n0.000000 -0.142989 -7.691546\nCa Ti O\n8 8 24\ndirect\n0.723131 0.250000 0.767503 Ca\n0.276869 0.750000 0.232497 Ca\n0.232499 0.250000 0.776867 Ca\n0.767501 0.750000 0.223133 Ca\n0.732498 0.250000 0.276871 Ca\n0.267502 0.750000 0.723130 Ca\n0.223131 0.250000 0.267502 Ca\n0.776869 0.750000 0.732499 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.541643 0.958251 0.250423 O\n0.250419 0.041749 0.041641 O\n0.749581 0.541749 0.958360 O\n0.549832 0.250000 0.029742 O\n0.450168 0.750000 0.970258 O\n0.970259 0.250000 0.950170 O\n0.029741 0.750000 0.049830 O\n0.541643 0.541750 0.250423 O\n0.458357 0.041750 0.749578 O\n0.458357 0.458251 0.749578 O\n0.750423 0.458251 0.541641 O\n0.950169 0.750000 0.470260 O\n0.249577 0.541750 0.458359 O\n0.750423 0.041749 0.541641 O\n0.958357 0.458251 0.249577 O\n0.041642 0.958252 0.750424 O\n0.041642 0.541749 0.750424 O\n0.958357 0.041749 0.249577 O\n0.250419 0.458251 0.041641 O\n0.049831 0.250000 0.529741 O\n0.529743 0.750000 0.549831 O\n0.470257 0.250000 0.450169 O\n0.249577 0.958251 0.458359 O\n0.749581 0.958251 0.958360 O\n",
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"volume": 453.6463176653818,
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"formula_full": "Ca8 Ti8 O24",
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{
"id": "jvasp-45504",
"created_at": "2022-09-04T14:36:51.924747Z",
"updated_at": "2022-09-04T14:36:51.924761Z",
"structure_string": "Ca4 Ti4 O12\n1.0\n5.387806 -0.000000 0.000000\n-0.000000 5.490889 0.000000\n0.000000 0.000000 7.667134\nCa Ti O\n4 4 12\ndirect\n0.990649 0.044368 0.250000 Ca\n0.490648 0.455632 0.750000 Ca\n0.509352 0.544368 0.250000 Ca\n0.009352 0.955632 0.750000 Ca\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.207898 0.208742 0.958271 O\n0.707898 0.291258 0.041728 O\n0.292103 0.708742 0.958271 O\n0.792103 0.791258 0.041728 O\n0.207898 0.208742 0.541728 O\n0.420430 0.979893 0.250000 O\n0.079570 0.479893 0.250000 O\n0.579570 0.020107 0.750000 O\n0.292103 0.708742 0.541728 O\n0.920431 0.520107 0.750000 O\n0.707898 0.291258 0.458272 O\n0.792103 0.791258 0.458272 O\n",
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{
"id": "jvasp-13167",
"created_at": "2022-09-04T14:38:14.535879Z",
"updated_at": "2022-09-04T14:38:14.535906Z",
"structure_string": "Co2 P2 O8\n1.0\n4.669783 -0.008740 -0.000000\n1.694780 4.351399 0.000000\n-0.000000 0.000000 6.314165\nCo P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.351296 0.351294 0.250000 P\n0.648705 0.648704 0.750000 P\n0.709543 0.223480 0.250000 O\n0.760328 0.760330 0.547583 O\n0.239670 0.239669 0.047585 O\n0.239670 0.239669 0.452416 O\n0.776520 0.290458 0.750000 O\n0.290458 0.776521 0.750000 O\n0.760328 0.760330 0.952415 O\n0.223480 0.709543 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:36:06.672497Z",
"structure_string": "Na1 Be2 Sn1\n1.0\n-2.058290 2.058290 3.931746\n2.058290 -2.058290 3.931746\n2.058290 2.058290 -3.931746\nNa Be Sn\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Sn\n",
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{
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"created_at": "2022-09-04T14:36:34.390667Z",
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"structure_string": "Al2 Hg1 S4\n1.0\n5.040914 -0.000000 -2.377590\n-1.121410 4.914595 -2.377590\n-0.025778 -0.032322 6.477960\nAl Hg S\n2 1 4\ndirect\n0.250000 0.750001 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.865948 0.861013 0.275275 S\n0.409327 0.414264 0.275275 S\n0.138988 0.590674 0.724725 S\n0.585736 0.134052 0.724725 S\n",
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{
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"structure_string": "Mg2 Co2 F8\n1.0\n-4.946119 0.007105 -0.015754\n-0.007426 -4.946143 -0.021950\n2.459408 2.445451 5.449681\nMg Co F\n2 2 8\ndirect\n0.719294 0.717639 0.433597 Mg\n0.287155 0.285507 0.569330 Mg\n-0.031807 0.466539 0.931372 Co\n0.538271 0.036603 0.071526 Co\n0.636946 0.578693 0.658002 F\n0.826415 0.772267 0.167858 F\n0.346448 0.397280 0.167851 F\n0.426050 0.978737 0.344877 F\n0.026036 0.081001 0.657994 F\n0.232470 0.658408 0.835029 F\n0.607545 0.178345 0.835038 F\n0.923826 0.367815 0.344872 F\n",
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{
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"structure_string": "Li2 Ti1 V3 O8\n1.0\n5.905459 0.042153 0.029807\n2.989236 5.093202 0.029807\n2.989236 1.725836 4.791981\nLi Ti V O\n2 1 3 8\ndirect\n0.125842 0.125842 0.125842 Li\n0.874159 0.874157 0.874159 Li\n0.500001 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.499999 0.000001 V\n0.260900 0.260900 0.260900 O\n0.260883 0.260883 0.718848 O\n0.260883 0.718847 0.260883 O\n0.718848 0.260882 0.260883 O\n0.281153 0.739118 0.739118 O\n0.739118 0.281152 0.739118 O\n0.739119 0.739117 0.281153 O\n0.739101 0.739100 0.739101 O\n",
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}