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{
"id": "jvasp-93186",
"created_at": "2022-09-04T14:36:09.496042Z",
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"structure_string": "Hf1 Mg6 Ti1\n1.0\n6.442406 0.282055 0.000000\n-2.976936 5.156204 0.000000\n0.000000 0.000000 5.032528\nHf Mg Ti\n1 6 1\ndirect\n0.150950 0.825474 0.250000 Hf\n0.651918 0.325455 0.250000 Mg\n0.651918 0.826460 0.250000 Mg\n0.335681 0.168668 0.750000 Mg\n0.335681 0.667013 0.750000 Mg\n0.865740 0.182869 0.750000 Mg\n0.847030 0.673515 0.750000 Mg\n0.161078 0.330538 0.250000 Ti\n",
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{
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{
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"updated_at": "2022-09-04T14:36:12.504851Z",
"structure_string": "Mg6 Nb1 C1\n1.0\n6.622400 0.630500 0.000000\n-2.765193 4.789640 0.000000\n0.000000 0.000000 4.449128\nMg Nb C\n6 1 1\ndirect\n0.607919 0.301315 0.250000 Mg\n0.607894 0.806615 0.250000 Mg\n0.321935 0.156131 0.750000 Mg\n0.321941 0.665789 0.750000 Mg\n0.829865 0.164913 0.750000 Mg\n0.894197 0.697079 0.750000 Mg\n0.120647 0.310337 0.250000 Nb\n0.295602 0.897824 0.250000 C\n",
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{
"id": "jvasp-87037",
"created_at": "2022-09-04T14:36:14.581361Z",
"updated_at": "2022-09-04T14:36:14.581390Z",
"structure_string": "Ca1 Sn1 F6\n1.0\n5.204343 -0.000000 3.004729\n1.734781 4.906702 3.004729\n-0.000000 -0.000000 6.009457\nCa Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Sn\n0.265281 0.734719 0.734720 F\n0.265281 0.734719 0.265281 F\n0.734719 0.265281 0.265281 F\n0.734719 0.734719 0.265281 F\n0.265281 0.265281 0.734720 F\n0.734719 0.265281 0.734720 F\n",
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"elements": [
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"volume": 153.45845670779158,
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"formula_full": "Ca1 Sn1 F6",
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"spacegroup": 225
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{
"id": "jvasp-93072",
"created_at": "2022-09-04T14:36:15.061502Z",
"updated_at": "2022-09-04T14:36:15.061529Z",
"structure_string": "Na1 Mg6 W1\n1.0\n5.987414 -1.609164 0.000000\n-4.387286 7.598992 0.000000\n0.000000 0.000000 4.386116\nNa Mg W\n1 6 1\ndirect\n0.250041 0.375021 0.250000 Na\n0.750006 0.374991 0.250000 Mg\n0.750005 0.875014 0.250000 Mg\n0.249981 0.104087 0.750001 Mg\n0.249997 0.645906 0.750001 Mg\n0.708741 0.104367 0.750001 Mg\n0.791237 0.645624 0.750001 Mg\n0.249983 0.874993 0.250000 W\n",
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"elements": [
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"density": 3.4734340274286115,
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"volume": 168.59549353269477,
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"formula_full": "Na1 Mg6 W1",
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"spacegroup": 123
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{
"id": "jvasp-94128",
"created_at": "2022-09-04T14:36:09.261366Z",
"updated_at": "2022-09-04T14:36:09.261392Z",
"structure_string": "Hf1 Mg6 Co1\n1.0\n6.335700 0.345905 0.000000\n-2.868287 4.968018 0.000000\n0.000000 0.000000 4.867629\nHf Mg Co\n1 6 1\ndirect\n0.136224 0.818112 0.250000 Hf\n0.638777 0.322080 0.250000 Mg\n0.638776 0.816695 0.250000 Mg\n0.335545 0.170575 0.750000 Mg\n0.335545 0.664971 0.750000 Mg\n0.894778 0.197389 0.750000 Mg\n0.834502 0.667251 0.750000 Mg\n0.185849 0.342924 0.250000 Co\n",
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{
"id": "jvasp-3789",
"created_at": "2022-09-04T14:36:10.580887Z",
"updated_at": "2022-09-04T14:36:10.580917Z",
"structure_string": "Ca1 Ti1 F6\n1.0\n5.081383 0.000643 2.934785\n1.694399 4.790559 2.934785\n0.000908 0.000643 5.867999\nCa Ti F\n1 1 6\ndirect\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Ti\n0.772454 0.772454 0.227585 F\n0.772454 0.227585 0.772454 F\n0.227546 0.772414 0.227545 F\n0.227546 0.227545 0.772414 F\n0.772414 0.227545 0.227546 F\n0.227586 0.772454 0.772453 F\n",
"nsites": 8,
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"volume": 142.81718551098476,
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"formula_full": "Ca1 Ti1 F6",
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{
"id": "jvasp-92914",
"created_at": "2022-09-04T14:36:20.698137Z",
"updated_at": "2022-09-04T14:36:20.698170Z",
"structure_string": "Mg6 Cd1 W1\n1.0\n5.955785 0.846070 0.000000\n-2.245174 5.580896 0.000000\n0.000000 0.000000 4.558811\nMg Cd W\n6 1 1\ndirect\n0.157002 0.887681 0.250000 Mg\n0.612320 0.342999 0.250000 Mg\n0.657998 0.842004 0.250000 Mg\n0.376896 0.645910 0.750000 Mg\n0.854091 0.123104 0.750000 Mg\n0.895825 0.604176 0.750000 Mg\n0.331999 0.168002 0.750000 Cd\n0.113876 0.386124 0.250000 W\n",
"nsites": 8,
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],
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"spacegroup": 38
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{
"id": "jvasp-93173",
"created_at": "2022-09-04T14:36:12.315243Z",
"updated_at": "2022-09-04T14:36:12.315266Z",
"structure_string": "Rb1 Li1 Mg6\n1.0\n8.742649 -1.414950 0.000000\n-5.596707 6.863880 0.000000\n0.000000 0.000000 5.013435\nRb Li Mg\n1 1 6\ndirect\n0.286273 0.213727 0.749999 Rb\n0.109143 0.390857 0.250000 Li\n0.213573 0.800827 0.250000 Mg\n0.699172 0.286426 0.250000 Mg\n0.634368 0.865632 0.250000 Mg\n0.326669 0.682050 0.749999 Mg\n0.817950 0.173331 0.749999 Mg\n0.912851 0.587149 0.749999 Mg\n",
"nsites": 8,
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{
"id": "jvasp-90450",
"created_at": "2022-09-04T14:36:10.481800Z",
"updated_at": "2022-09-04T14:36:10.481835Z",
"structure_string": "K1 Mg6 Nb1\n1.0\n6.356926 -1.703988 0.000000\n-4.654139 8.061316 0.000000\n0.000000 0.000000 4.524453\nK Mg Nb\n1 6 1\ndirect\n0.249870 0.374935 0.250000 K\n0.750020 0.375084 0.250000 Mg\n0.750019 0.874936 0.250000 Mg\n0.250038 0.094304 0.749999 Mg\n0.250053 0.655742 0.749999 Mg\n0.688561 0.094279 0.749999 Mg\n0.811431 0.655717 0.749999 Mg\n0.250012 0.875006 0.250000 Nb\n",
"nsites": 8,
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"density": 2.3541560101226593,
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{
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"created_at": "2022-09-04T14:36:14.361253Z",
"updated_at": "2022-09-04T14:36:14.361278Z",
"structure_string": "Li1 Ru1 F6\n1.0\n-2.493827 -4.319436 0.000000\n2.493827 -4.319436 0.000000\n-0.000000 -2.879624 4.538593\nLi Ru F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ru\n0.894420 0.624467 0.240922 F\n0.624467 0.240193 0.240922 F\n0.240193 0.894420 0.240922 F\n0.105581 0.375534 0.759077 F\n0.375534 0.759808 0.759077 F\n0.759808 0.105581 0.759077 F\n",
"nsites": 8,
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"volume": 97.77877698376764,
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{
"id": "jvasp-93166",
"created_at": "2022-09-04T14:35:59.694137Z",
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"structure_string": "Li1 Mg6 Si1\n1.0\n6.211454 0.006425 0.000000\n-3.100162 5.369638 0.000000\n0.000000 0.000000 4.968942\nLi Mg Si\n1 6 1\ndirect\n0.166104 0.333052 0.250000 Li\n0.669486 0.332618 0.250000 Mg\n0.669486 0.836867 0.250000 Mg\n0.326812 0.162498 0.750000 Mg\n0.326812 0.664316 0.750000 Mg\n0.836294 0.168148 0.750000 Mg\n0.836674 0.668338 0.750000 Mg\n0.168335 0.834167 0.250000 Si\n",
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