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{
"id": "jvasp-93135",
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{
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"structure_string": "Ca2 Au2\n1.0\n1.972142 -5.519167 -0.000000\n1.972142 5.519167 0.000000\n0.000000 -0.000000 4.613118\nCa Au\n2 2\ndirect\n0.861550 0.138448 0.750000 Ca\n0.138448 0.861550 0.250000 Ca\n0.584981 0.415018 0.750000 Au\n0.415018 0.584981 0.250000 Au\n",
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{
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"structure_string": "Na1 I1\n1.0\n3.937125 0.000000 2.273100\n1.312375 3.711957 2.273100\n0.000000 0.000000 4.546201\nNa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.499999 I\n",
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{
"id": "jvasp-65670",
"created_at": "2022-09-04T14:36:21.865158Z",
"updated_at": "2022-09-04T14:36:21.865182Z",
"structure_string": "Ba2 Ga1 Se1\n1.0\n0.000000 4.045055 4.045055\n4.045055 0.000000 4.045055\n4.045055 4.045055 0.000000\nBa Ga Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.499999 Se\n",
"nsites": 4,
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"density": 5.310458711228051,
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"volume": 132.37418179166707,
"volume_molar": 19.9293988934812,
"formula_full": "Ba2 Ga1 Se1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-69196",
"created_at": "2022-09-04T14:36:12.266740Z",
"updated_at": "2022-09-04T14:36:12.266767Z",
"structure_string": "K1 Ba2 Ni1\n1.0\n0.000000 4.180299 4.180299\n4.180299 0.000000 4.180299\n4.180299 4.180299 -0.000000\nK Ba Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
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"elements": [
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"Ba",
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],
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"density": 4.23311461685943,
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"volume": 146.1006117278305,
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"formula_full": "K1 Ba2 Ni1",
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{
"id": "jvasp-63747",
"created_at": "2022-09-04T14:36:08.961283Z",
"updated_at": "2022-09-04T14:36:08.961316Z",
"structure_string": "Ho1 Cu4 Au1\n1.0\n0.000000 3.557228 3.557228\n3.557228 0.000000 3.557228\n3.557228 3.557228 0.000000\nHo Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.872959 0.375681 0.375681 Cu\n0.375681 0.872959 0.375681 Cu\n0.375681 0.375681 0.375681 Cu\n0.375681 0.375681 0.872959 Cu\n0.750000 0.750000 0.750000 Au\n",
"nsites": 6,
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{
"id": "jvasp-94115",
"created_at": "2022-09-04T14:35:41.419290Z",
"updated_at": "2022-09-04T14:35:41.419319Z",
"structure_string": "Na1 Mg6 Ni1\n1.0\n6.510806 -0.191421 0.000000\n-3.421179 5.542812 0.000000\n0.000000 0.000000 4.895492\nNa Mg Ni\n1 6 1\ndirect\n0.318985 0.181015 0.750000 Na\n0.177001 0.809142 0.250000 Mg\n0.690858 0.322999 0.250000 Mg\n0.676602 0.823398 0.250000 Mg\n0.325723 0.648742 0.750000 Mg\n0.851259 0.174277 0.750000 Mg\n0.835763 0.664237 0.750000 Mg\n0.123808 0.376192 0.250000 Ni\n",
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{
"id": "jvasp-95419",
"created_at": "2022-09-04T14:36:03.575858Z",
"updated_at": "2022-09-04T14:36:03.575878Z",
"structure_string": "Ge8 Br16\n1.0\n6.833658 0.000000 -1.426226\n0.000000 8.063279 0.000000\n0.318048 0.000000 12.921432\nGe Br\n8 16\ndirect\n0.750042 0.874892 -0.000010 Ge\n0.749959 0.374892 0.000009 Ge\n0.249959 0.125108 0.000009 Ge\n0.250041 0.625108 -0.000009 Ge\n0.749933 0.624899 0.500112 Ge\n0.750068 0.124899 0.499887 Ge\n0.250068 0.375101 0.499887 Ge\n0.249932 0.875101 0.500112 Ge\n0.626054 0.375183 0.627889 Br\n0.873947 0.875183 0.372111 Br\n0.374046 0.874727 0.872125 Br\n0.125954 0.374727 0.127875 Br\n0.625954 0.125273 0.127875 Br\n0.874047 0.625273 0.872125 Br\n0.126077 0.875010 0.127915 Br\n0.125991 0.624988 0.627907 Br\n0.873923 0.124990 0.872085 Br\n0.626078 0.624990 0.127915 Br\n0.126053 0.124817 0.627889 Br\n0.374009 0.124988 0.372093 Br\n0.874009 0.375012 0.372093 Br\n0.625992 0.875012 0.627907 Br\n0.373923 0.375010 0.872085 Br\n0.373947 0.624817 0.372111 Br\n",
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"volume": 715.6503244136738,
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"formula_full": "Ge8 Br16",
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{
"id": "jvasp-100007",
"created_at": "2022-09-04T14:36:31.931843Z",
"updated_at": "2022-09-04T14:36:31.931871Z",
"structure_string": "Cu2 Br1 Cl1\n1.0\n3.550090 -0.006612 5.319555\n1.607137 3.165486 5.319555\n-0.010796 -0.006612 6.395365\nCu Br Cl\n2 1 1\ndirect\n0.245971 0.245972 0.245971 Cu\n0.754027 0.754031 0.754029 Cu\n0.000000 0.000000 0.000000 Br\n0.499999 0.500001 0.500000 Cl\n",
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"volume": 72.18805047113578,
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},
{
"id": "jvasp-65548",
"created_at": "2022-09-04T14:36:05.622724Z",
"updated_at": "2022-09-04T14:36:05.622741Z",
"structure_string": "Ba1 Ca1 Pb2\n1.0\n4.153150 0.000000 -0.000000\n-0.000000 4.153150 0.000000\n-0.000000 -0.000000 7.922479\nBa Ca Pb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.711949 Pb\n0.000000 0.000000 0.288051 Pb\n",
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{
"id": "jvasp-94056",
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"structure_string": "Na1 Mg6 V1\n1.0\n6.337131 0.000355 0.000000\n-3.168259 5.488294 0.000000\n0.000000 0.000000 5.109653\nNa Mg V\n1 6 1\ndirect\n0.416668 0.083331 0.750000 Na\n0.077322 0.913655 0.250000 Mg\n0.586343 0.422677 0.250000 Mg\n0.586353 0.913645 0.250000 Mg\n0.402768 0.576393 0.750000 Mg\n0.923605 0.097230 0.750000 Mg\n0.923584 0.576414 0.750000 Mg\n0.083352 0.416648 0.250000 V\n",
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{
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