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{
"id": "jvasp-13055",
"created_at": "2022-09-04T14:37:37.905362Z",
"updated_at": "2022-09-04T14:37:37.905373Z",
"structure_string": "Ba4 Pd2 F12\n1.0\n6.245904 -0.000000 -0.000000\n-0.000000 5.881049 -2.120825\n0.000000 -0.025160 9.144716\nBa Pd F\n4 2 12\ndirect\n0.000000 0.160285 0.320570 Ba\n0.500000 0.339715 0.679430 Ba\n0.000000 0.839715 0.679430 Ba\n0.500000 0.660285 0.320570 Ba\n0.000000 0.500000 -0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.342039 0.925224 0.165599 F\n0.842038 0.574777 0.834400 F\n0.842038 0.740376 0.165600 F\n0.342039 0.759624 0.834400 F\n0.657961 0.074777 0.834400 F\n0.750000 0.006593 0.500000 F\n0.250000 0.493407 0.500000 F\n0.657961 0.240376 0.165600 F\n0.750000 0.506594 0.500000 F\n0.250000 0.993407 0.500000 F\n0.157961 0.425224 0.165600 F\n0.157961 0.259624 0.834400 F\n",
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{
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"structure_string": "Dy2 Tl1 Cd1\n1.0\n-0.000000 3.738406 3.738406\n3.738406 -0.000000 3.738406\n3.738406 3.738406 0.000000\nDy Tl Cd\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Dy\n0.000000 0.000000 0.000000 Dy\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Cd\n",
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{
"id": "jvasp-38258",
"created_at": "2022-09-04T14:37:54.244048Z",
"updated_at": "2022-09-04T14:37:54.244074Z",
"structure_string": "Rb3 Ag1\n1.0\n5.915201 0.000000 -0.000000\n0.000000 5.915201 0.000000\n-0.000000 0.000000 5.915201\nRb Ag\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"density_atomic": 0.01932642258222606,
"volume": 206.97053388859882,
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{
"id": "jvasp-35057",
"created_at": "2022-09-04T14:37:37.896245Z",
"updated_at": "2022-09-04T14:37:37.896258Z",
"structure_string": "K2 Mg2 As2\n1.0\n4.543594 0.000000 -0.000000\n0.000000 4.543594 0.000000\n-0.000000 0.000000 7.741959\nK Mg As\n2 2 2\ndirect\n0.500000 0.000000 0.359972 K\n0.000000 0.500000 0.640028 K\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.806070 As\n0.000000 0.500000 0.193931 As\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.03754061202068411,
"volume": 159.82690949988037,
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"formula_full": "K2 Mg2 As2",
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"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-16476",
"created_at": "2022-09-04T14:37:38.595891Z",
"updated_at": "2022-09-04T14:37:38.595917Z",
"structure_string": "Ho2 Cd6\n1.0\n4.852353 0.000000 -0.000000\n0.000000 5.928345 -2.606878\n-0.000000 -0.042848 6.476052\nHo Cd\n2 6\ndirect\n0.750000 0.362872 0.637127 Ho\n0.250000 0.637127 0.362872 Ho\n0.750000 0.824350 0.175648 Cd\n0.250000 0.175648 0.824351 Cd\n0.750000 0.312919 0.125568 Cd\n0.250000 0.687080 0.874430 Cd\n0.250000 0.125569 0.312919 Cd\n0.750000 0.874430 0.687080 Cd\n",
"nsites": 8,
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{
"id": "jvasp-21995",
"created_at": "2022-09-04T14:37:37.890112Z",
"updated_at": "2022-09-04T14:37:37.890135Z",
"structure_string": "Ba4 Zn8 Sb8\n1.0\n4.554816 0.000000 0.000000\n0.000000 10.633402 0.000000\n0.000000 0.000000 11.747515\nBa Zn Sb\n4 8 8\ndirect\n0.250000 0.746972 0.319838 Ba\n0.750001 0.253028 0.680162 Ba\n0.250000 0.246972 0.180162 Ba\n0.750001 0.753028 0.819838 Ba\n0.250000 0.556791 0.620672 Zn\n0.750001 0.443209 0.379329 Zn\n0.750001 0.943208 0.120671 Zn\n0.250000 0.056791 0.879329 Zn\n0.250000 0.096619 0.452361 Zn\n0.250000 0.596619 0.047639 Zn\n0.750001 0.403381 0.952361 Zn\n0.750001 0.903381 0.547639 Zn\n0.750001 0.026009 0.336990 Sb\n0.750001 0.650445 0.533904 Sb\n0.250000 0.349555 0.466097 Sb\n0.250000 0.849555 0.033903 Sb\n0.750001 0.150445 0.966097 Sb\n0.750001 0.526009 0.163011 Sb\n0.250000 0.473990 0.836990 Sb\n0.250000 0.973990 0.663011 Sb\n",
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"volume": 568.9696209013093,
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{
"id": "jvasp-41298",
"created_at": "2022-09-04T14:37:37.861184Z",
"updated_at": "2022-09-04T14:37:37.861216Z",
"structure_string": "Na1 Ho1 Tl2\n1.0\n-0.000000 3.740803 3.740803\n3.740803 -0.000000 3.740803\n3.740803 3.740803 -0.000000\nNa Ho Tl\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Na\n0.250000 0.250000 0.250000 Ho\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Tl\n",
"nsites": 4,
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"density": 9.463917337995877,
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"spacegroup": 225
},
{
"id": "jvasp-108623",
"created_at": "2022-09-04T14:37:54.017772Z",
"updated_at": "2022-09-04T14:37:54.017782Z",
"structure_string": "Ga3 Se1\n1.0\n4.441850 -0.000000 0.000000\n0.000000 4.441850 0.000000\n0.000000 0.000000 4.441850\nGa Se\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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},
{
"id": "jvasp-56263",
"created_at": "2022-09-04T14:37:37.821406Z",
"updated_at": "2022-09-04T14:37:37.821427Z",
"structure_string": "Yb8 Tl4\n1.0\n5.209060 -0.000000 0.000000\n-0.000000 7.066256 0.000000\n0.000000 0.000000 9.692008\nYb Tl\n8 4\ndirect\n0.250000 0.672135 0.568434 Yb\n0.750000 0.327866 0.431566 Yb\n0.750000 0.969331 0.699643 Yb\n0.250000 0.030670 0.300357 Yb\n0.250000 0.172134 0.931566 Yb\n0.750000 0.827866 0.068434 Yb\n0.750000 0.469330 0.800357 Yb\n0.250000 0.530670 0.199643 Yb\n0.250000 0.226124 0.609362 Tl\n0.750000 0.273876 0.109362 Tl\n0.250000 0.726124 0.890638 Tl\n0.750000 0.773877 0.390638 Tl\n",
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"spacegroup": 62
},
{
"id": "jvasp-42028",
"created_at": "2022-09-04T14:37:38.647330Z",
"updated_at": "2022-09-04T14:37:38.647355Z",
"structure_string": "Pr1 Mg1 Hg2\n1.0\n0.000000 3.667473 3.667473\n3.667473 -0.000000 3.667473\n3.667473 3.667473 0.000000\nPr Mg Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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{
"id": "jvasp-5323",
"created_at": "2022-09-04T14:37:37.754129Z",
"updated_at": "2022-09-04T14:37:37.754138Z",
"structure_string": "Tm8 Cl16\n1.0\n6.179234 0.000000 0.000000\n0.000000 7.121829 0.000000\n0.000000 0.000000 12.106685\nTm Cl\n8 16\ndirect\n0.319095 0.047166 0.402243 Tm\n0.819095 0.952834 0.097757 Tm\n0.180905 0.547167 0.597757 Tm\n0.680904 0.452834 0.902243 Tm\n0.680904 0.952834 0.597757 Tm\n0.180905 0.047166 0.902243 Tm\n0.819095 0.452834 0.402243 Tm\n0.319095 0.547167 0.097757 Tm\n0.302834 0.877254 0.706432 Cl\n0.802834 0.122746 0.793568 Cl\n0.802834 0.622746 0.706432 Cl\n0.302834 0.377254 0.793568 Cl\n0.697166 0.122746 0.293568 Cl\n0.197166 0.877254 0.206432 Cl\n0.020768 0.704382 0.954553 Cl\n0.979232 0.295618 0.045446 Cl\n0.479232 0.204382 0.045446 Cl\n0.979232 0.795618 0.454553 Cl\n0.697166 0.622746 0.206432 Cl\n0.479232 0.704382 0.454553 Cl\n0.520767 0.795618 0.954553 Cl\n0.020768 0.204382 0.545446 Cl\n0.520767 0.295618 0.545446 Cl\n0.197166 0.377254 0.293568 Cl\n",
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{
"id": "jvasp-41025",
"created_at": "2022-09-04T14:37:38.686796Z",
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"structure_string": "Li1 Mg2 Hg1\n1.0\n-0.000000 3.367928 3.367928\n3.367928 -0.000000 3.367928\n3.367928 3.367928 0.000000\nLi Mg Hg\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n",
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]
}