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{
"id": "jvasp-102434",
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"structure_string": "Mn2 Ga2 O6\n1.0\n3.223924 0.000000 0.000000\n-1.611962 2.792000 0.000000\n-0.000000 -0.000000 11.808913\nMn Ga O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.750000 Ga\n0.666666 0.333333 0.250000 Ga\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.333333 0.666667 0.578903 O\n0.333333 0.666667 0.921097 O\n0.666666 0.333333 0.421097 O\n0.666666 0.333333 0.078903 O\n",
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{
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"created_at": "2022-09-04T14:36:52.145107Z",
"updated_at": "2022-09-04T14:36:52.145125Z",
"structure_string": "K4 Zn2 S4\n1.0\n6.053201 0.008312 -4.881208\n-1.153227 5.567025 -5.305263\n-0.035267 -0.008312 7.776001\nK Zn S\n4 2 4\ndirect\n0.812172 0.645747 0.166425 K\n0.187826 0.354252 0.833574 K\n0.479321 0.145747 0.333574 K\n0.520677 0.854252 0.666425 K\n-0.000001 0.750000 0.749999 Zn\n-0.000000 0.250000 0.250000 Zn\n0.704721 0.396261 0.308460 S\n0.295277 0.603738 0.691539 S\n0.087800 0.896261 0.191539 S\n0.912199 0.103739 0.808460 S\n",
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{
"id": "jvasp-102431",
"created_at": "2022-09-04T14:36:51.888868Z",
"updated_at": "2022-09-04T14:36:51.888888Z",
"structure_string": "Ca1 Al2 Sn2\n1.0\n4.504273 0.000000 0.000000\n-2.252136 3.900815 0.000000\n-0.000000 -0.000000 7.522788\nCa Al Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666666 0.333333 0.369969 Al\n0.333332 0.666666 0.630031 Al\n0.666666 0.333333 0.749319 Sn\n0.333332 0.666666 0.250681 Sn\n",
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"volume": 132.1779104282452,
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"formula_full": "Ca1 Al2 Sn2",
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{
"id": "jvasp-10243",
"created_at": "2022-09-04T14:38:16.321365Z",
"updated_at": "2022-09-04T14:38:16.321375Z",
"structure_string": "Ce3 P3 O12\n1.0\n3.582825 -6.205634 0.000000\n3.582825 6.205634 -0.000000\n-0.000000 0.000000 6.464935\nCe P O\n3 3 12\ndirect\n0.000001 0.500000 0.666667 Ce\n0.500001 0.500001 0.333333 Ce\n0.500000 0.000001 0.000000 Ce\n0.000001 0.500000 0.166667 P\n0.500001 0.500001 0.833334 P\n0.500000 0.000001 0.500000 P\n0.862692 0.308864 0.019900 O\n0.137310 0.691138 0.019900 O\n0.308863 0.446172 0.686566 O\n0.446172 0.137309 0.353233 O\n0.553829 0.691138 0.980101 O\n0.862692 0.553830 0.313434 O\n0.137309 0.446172 0.313434 O\n0.691138 0.553829 0.686566 O\n0.691138 0.137310 0.646767 O\n0.446172 0.308863 0.980101 O\n0.553830 0.862692 0.353233 O\n0.308864 0.862692 0.646767 O\n",
"nsites": 18,
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"elements": [
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{
"id": "jvasp-102429",
"created_at": "2022-09-04T14:36:50.862465Z",
"updated_at": "2022-09-04T14:36:50.862487Z",
"structure_string": "Ca1 Ni1 O2\n1.0\n3.783907 0.000000 0.000000\n0.000000 3.783907 0.000000\n-0.000000 -0.000000 3.189099\nCa Ni O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n",
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{
"id": "jvasp-102427",
"created_at": "2022-09-04T14:36:50.555452Z",
"updated_at": "2022-09-04T14:36:50.555473Z",
"structure_string": "Rb2 Li1 Ta1 F6\n1.0\n5.139528 -0.000000 2.967308\n1.713176 4.845594 2.967308\n-0.000000 -0.000000 5.934616\nRb Li Ta F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750001 Rb\n0.500001 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ta\n0.250379 0.250378 0.749622 F\n0.250379 0.749621 0.749622 F\n0.749623 0.749621 0.250379 F\n0.250379 0.749621 0.250379 F\n0.749622 0.250378 0.749622 F\n0.749622 0.250378 0.250379 F\n",
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"elements": [
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"density": 5.312236095672782,
"density_atomic": 0.06766079830326494,
"volume": 147.79606878385673,
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"formula_full": "Rb2 Li1 Ta1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-102426",
"created_at": "2022-09-04T14:36:50.402892Z",
"updated_at": "2022-09-04T14:36:50.402922Z",
"structure_string": "Rb3 Sc1 F6\n1.0\n5.670520 -0.000000 3.273876\n1.890173 5.346218 3.273876\n-0.000000 -0.000000 6.547753\nRb Sc F\n3 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.781672 0.218328 0.218329 F\n0.218328 0.218328 0.781672 F\n0.218328 0.781672 0.781672 F\n0.218328 0.781672 0.218329 F\n0.781672 0.218328 0.781672 F\n0.781671 0.781672 0.218329 F\n",
"nsites": 10,
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],
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"density": 3.474571016829008,
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"volume": 198.50060672780623,
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"formula_full": "Rb3 Sc1 F6",
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{
"id": "jvasp-102425",
"created_at": "2022-09-04T14:36:49.689018Z",
"updated_at": "2022-09-04T14:36:49.689043Z",
"structure_string": "Rb3 Pr1 Cl6\n1.0\n7.065990 -0.000000 4.079551\n2.355330 6.661879 4.079551\n-0.000000 -0.000000 8.159102\nRb Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pr\n0.763093 0.236907 0.236906 Cl\n0.236906 0.236906 0.763092 Cl\n0.236906 0.763093 0.763092 Cl\n0.236906 0.763094 0.236906 Cl\n0.763093 0.236907 0.763093 Cl\n0.763094 0.763094 0.236906 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.026036816287342394,
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"formula_full": "Rb3 Pr1 Cl6",
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{
"id": "jvasp-102424",
"created_at": "2022-09-04T14:36:49.908619Z",
"updated_at": "2022-09-04T14:36:49.908641Z",
"structure_string": "Rb2 Li1 Pr1 I6\n1.0\n7.358026 -0.000000 4.248158\n2.452675 6.937213 4.248158\n-0.000000 -0.000000 8.496316\nRb Li Pr I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.742080 0.257920 0.257921 I\n0.257921 0.257920 0.742080 I\n0.257921 0.742079 0.742080 I\n0.257921 0.742079 0.257921 I\n0.742080 0.257920 0.742080 I\n0.742080 0.742079 0.257921 I\n",
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{
"id": "jvasp-102423",
"created_at": "2022-09-04T14:36:43.507126Z",
"updated_at": "2022-09-04T14:36:43.507143Z",
"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n6.776136 -0.000000 3.912204\n2.258712 6.388602 3.912204\n-0.000000 -0.000000 7.824408\nTb K Rb Cl\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.762549 0.237452 0.237451 Cl\n0.237452 0.237452 0.762548 Cl\n0.237452 0.762548 0.762548 Cl\n0.237452 0.762548 0.237452 Cl\n0.762549 0.237452 0.762548 Cl\n0.762548 0.762548 0.237451 Cl\n",
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"density_atomic": 0.02952300530473582,
"volume": 338.71890401333525,
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{
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"created_at": "2022-09-04T14:36:43.165960Z",
"updated_at": "2022-09-04T14:36:43.165992Z",
"structure_string": "Rb2 Tl1 Hg1 I6\n1.0\n7.445249 -0.000000 4.298516\n2.481750 7.019448 4.298516\n-0.000000 -0.000000 8.597033\nRb Tl Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.745930 0.254070 0.254071 I\n0.254070 0.254070 0.745930 I\n0.254070 0.745930 0.745930 I\n0.254070 0.745930 0.254071 I\n0.745930 0.254070 0.745930 I\n0.745930 0.745930 0.254071 I\n",
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