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{
"id": "jvasp-5260",
"created_at": "2022-09-04T14:36:16.117003Z",
"updated_at": "2022-09-04T14:36:16.117023Z",
"structure_string": "Bi4 Te2 I2\n1.0\n-4.436076 0.014849 0.252609\n2.208633 3.821718 -0.513482\n1.182046 -0.563012 -18.262738\nBi Te I\n4 2 2\ndirect\n0.558535 0.442444 0.674913 Bi\n0.441466 0.557558 0.325087 Bi\n0.317762 0.682138 0.953356 Bi\n0.682240 0.317864 0.046644 Bi\n0.806141 0.193251 0.418884 Te\n0.193861 0.806751 0.581116 Te\n0.069473 0.929401 0.209397 I\n0.930528 0.070601 0.790603 I\n",
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{
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"structure_string": "Pm2 Mg4\n1.0\n5.259855 -0.000000 3.036779\n1.753285 4.959039 3.036779\n-0.000000 -0.000000 6.073558\nPm Mg\n2 4\ndirect\n0.750001 0.750000 0.750000 Pm\n0.500001 0.500000 0.500000 Pm\n0.125000 0.125000 0.125000 Mg\n0.625001 0.125000 0.125000 Mg\n0.125001 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
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{
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"updated_at": "2022-09-04T14:36:16.118513Z",
"structure_string": "Fe2 Cu1 As2 H2 O10\n1.0\n4.969919 -0.006920 -1.243292\n-1.333717 5.048406 -1.310653\n-0.215258 -0.183836 7.738568\nFe Cu As H O\n2 1 2 2 10\ndirect\n0.813528 0.397023 0.807380 Fe\n0.186471 0.602977 0.192620 Fe\n0.000000 0.000000 0.000000 Cu\n0.289429 0.794923 0.675531 As\n0.710570 0.205077 0.324470 As\n0.235441 0.350961 0.630822 H\n0.764558 0.649040 0.369179 H\n0.851314 0.217066 0.555071 O\n0.148685 0.782934 0.444930 O\n0.981444 0.242164 0.231779 O\n0.018555 0.757836 0.768221 O\n0.435797 0.936853 0.188610 O\n0.411762 0.500066 0.672869 O\n0.135150 0.324844 0.956636 O\n0.564202 0.063147 0.811391 O\n0.588237 0.499934 0.327132 O\n0.864850 0.675156 0.043365 O\n",
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"density_atomic": 0.08889577206045467,
"volume": 191.23519157287862,
"volume_molar": 6.774383775984947,
"formula_full": "Fe2 Cu1 As2 H2 O10",
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"spacegroup": 2
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{
"id": "jvasp-94407",
"created_at": "2022-09-04T14:36:16.118595Z",
"updated_at": "2022-09-04T14:36:16.118616Z",
"structure_string": "Mg4 Sb2\n1.0\n6.443522 0.000000 0.000000\n-3.221760 5.580254 -0.000000\n0.000000 0.000000 4.252987\nMg Sb\n4 2\ndirect\n-0.000000 0.353759 0.000000 Mg\n0.646241 0.646241 -0.000000 Mg\n0.353759 -0.000000 -0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666666 0.500000 Sb\n",
"nsites": 6,
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"elements": [
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"volume": 152.92248204588037,
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"formula_full": "Mg4 Sb2",
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"spacegroup": 189
},
{
"id": "jvasp-70794",
"created_at": "2022-09-04T14:36:16.119217Z",
"updated_at": "2022-09-04T14:36:16.119244Z",
"structure_string": "K1 Be1 Re2\n1.0\n3.049149 0.000000 -0.000000\n0.000000 3.049149 -0.000000\n-0.000000 -0.000000 8.061918\nK Be Re\n1 1 2\ndirect\n0.500000 0.500000 0.735825 K\n0.000000 0.000000 0.403581 Be\n0.000000 0.000000 0.090258 Re\n0.500000 0.500000 0.270336 Re\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-66437",
"created_at": "2022-09-04T14:36:16.120908Z",
"updated_at": "2022-09-04T14:36:16.120934Z",
"structure_string": "Ba1 Bi1 Br1\n1.0\n0.000000 4.077394 4.077394\n4.077394 -0.000000 4.077394\n4.077394 4.077394 0.000000\nBa Bi Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Br\n",
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{
"id": "jvasp-43984",
"created_at": "2022-09-04T14:36:16.124883Z",
"updated_at": "2022-09-04T14:36:16.124910Z",
"structure_string": "Li4 Al2 Fe2 O8\n1.0\n4.982176 0.000000 0.000000\n0.000000 5.474837 0.000000\n0.000000 0.000000 6.223103\nLi Al Fe O\n4 2 2 8\ndirect\n0.006319 0.666271 0.250555 Li\n0.506319 0.333729 0.249445 Li\n0.006319 0.666271 0.749444 Li\n0.506319 0.333729 0.750555 Li\n0.501146 0.830340 0.000000 Al\n0.001145 0.169660 0.500000 Al\n0.003432 0.168166 0.000000 Fe\n0.503432 0.831835 0.500000 Fe\n0.142132 0.845278 0.000000 O\n0.624251 0.137638 0.000000 O\n0.108197 0.322417 0.261125 O\n0.608197 0.677584 0.238875 O\n0.124251 0.862363 0.500000 O\n0.642133 0.154723 0.500000 O\n0.608197 0.677584 0.761124 O\n0.108197 0.322417 0.738875 O\n",
"nsites": 16,
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"volume": 169.7451006575116,
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"formula_full": "Li4 Al2 Fe2 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 31
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{
"id": "jvasp-65242",
"created_at": "2022-09-04T14:36:16.127251Z",
"updated_at": "2022-09-04T14:36:16.127284Z",
"structure_string": "Ta4 Be1 Te1\n1.0\n0.000000 3.890830 3.890830\n3.890830 0.000000 3.890830\n3.890830 3.890830 -0.000000\nTa Be Te\n4 1 1\ndirect\n0.119299 0.626901 0.626901 Ta\n0.626901 0.626901 0.626901 Ta\n0.626901 0.119299 0.626901 Ta\n0.626901 0.626901 0.119299 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Te\n",
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{
"id": "jvasp-97400",
"created_at": "2022-09-04T14:36:16.131491Z",
"updated_at": "2022-09-04T14:36:16.131506Z",
"structure_string": "K12 Na6 Al2 Sb8\n1.0\n10.155147 0.000000 0.000000\n-5.077573 8.794615 -0.000000\n0.000000 -0.000000 10.475884\nK Na Al Sb\n12 6 2 8\ndirect\n0.207489 0.414977 0.540945 K\n0.792512 0.207489 0.040946 K\n0.414978 0.207489 0.040946 K\n0.585023 0.792511 0.540945 K\n0.207489 0.792511 0.540945 K\n0.792512 0.585022 0.459054 K\n0.792512 0.207489 0.459054 K\n0.792512 0.585022 0.040946 K\n0.414978 0.207489 0.459054 K\n0.585023 0.792511 0.959054 K\n0.207489 0.414977 0.959054 K\n0.207489 0.792511 0.959054 K\n0.768761 0.884380 0.250000 Na\n0.231239 0.115619 0.750000 Na\n0.884381 0.115619 0.750000 Na\n0.115620 0.231239 0.250000 Na\n0.884381 0.768761 0.750000 Na\n0.115620 0.884380 0.250000 Na\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.483053 0.966105 0.250000 Sb\n0.033895 0.516947 0.250000 Sb\n0.516948 0.483052 0.750000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.966105 0.483052 0.750000 Sb\n0.483053 0.516947 0.250000 Sb\n0.516948 0.033895 0.750000 Sb\n",
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"formula_full": "K12 Na6 Al2 Sb8",
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{
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"structure_string": "Mg2 Be1 Ni2\n1.0\n-1.873652 1.873652 5.604579\n1.873652 -1.873652 5.604579\n1.873652 1.873652 -5.604579\nMg Be Ni\n2 1 2\ndirect\n0.749999 0.250000 0.499999 Mg\n0.250000 0.749999 0.499999 Mg\n0.000000 0.000000 0.000000 Be\n0.597574 0.597574 0.000000 Ni\n0.402427 0.402427 0.000000 Ni\n",
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{
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"updated_at": "2022-09-04T14:36:16.143283Z",
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{
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