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{
"id": "jvasp-91904",
"created_at": "2022-09-04T14:35:57.380810Z",
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"structure_string": "Ba1 Mg6 Mo1\n1.0\n6.672171 -1.787915 0.000000\n-4.884464 8.460141 0.000000\n0.000000 0.000000 4.129627\nBa Mg Mo\n1 6 1\ndirect\n0.250044 0.375022 0.250000 Ba\n0.749979 0.374961 0.250000 Mg\n0.749979 0.875016 0.250000 Mg\n0.249982 0.083050 0.750000 Mg\n0.249982 0.666934 0.750000 Mg\n0.666138 0.083068 0.750000 Mg\n0.833871 0.666935 0.750000 Mg\n0.250023 0.875011 0.250000 Mo\n",
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{
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"structure_string": "Mg6 Bi1 W1\n1.0\n6.238945 -0.017644 0.000000\n-3.134753 5.429551 0.000000\n0.000000 0.000000 5.041184\nMg Bi W\n6 1 1\ndirect\n0.668383 0.328965 0.250000 Mg\n0.668384 0.839418 0.250000 Mg\n0.327789 0.183309 0.749999 Mg\n0.327789 0.644481 0.749999 Mg\n0.855535 0.177768 0.749999 Mg\n0.812294 0.656147 0.749999 Mg\n0.158278 0.829138 0.250000 Bi\n0.181551 0.340775 0.250000 W\n",
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{
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"structure_string": "Ca1 Mg6 Zn1\n1.0\n6.830806 0.358484 0.000000\n-3.104932 5.377674 0.000000\n0.000000 0.000000 5.027737\nCa Mg Zn\n1 6 1\ndirect\n0.125087 0.312537 0.250000 Ca\n0.638521 0.323588 0.250000 Mg\n0.638519 0.814915 0.250000 Mg\n0.341785 0.169431 0.750000 Mg\n0.341780 0.672361 0.750000 Mg\n0.801437 0.150726 0.750000 Mg\n0.883126 0.691567 0.750000 Mg\n0.229747 0.864869 0.250000 Zn\n",
"nsites": 8,
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},
{
"id": "jvasp-93183",
"created_at": "2022-09-04T14:35:55.605493Z",
"updated_at": "2022-09-04T14:35:55.605523Z",
"structure_string": "K1 Mg6 Ga1\n1.0\n7.747168 -0.852108 0.000000\n-4.611532 6.283189 0.000000\n0.000000 0.000000 4.749290\nK Mg Ga\n1 6 1\ndirect\n0.213964 0.286036 0.250000 K\n0.170441 0.819324 0.250000 Mg\n0.680676 0.329559 0.250000 Mg\n0.630852 0.869148 0.250000 Mg\n0.303788 0.686438 0.750000 Mg\n0.813562 0.196212 0.750000 Mg\n0.798467 0.701533 0.750000 Mg\n0.388252 0.111748 0.750000 Ga\n",
"nsites": 8,
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"elements": [
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"density": 1.9897500508693449,
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"volume": 212.51836723196703,
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"formula_full": "K1 Mg6 Ga1",
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{
"id": "jvasp-94735",
"created_at": "2022-09-04T14:35:48.029015Z",
"updated_at": "2022-09-04T14:35:48.029040Z",
"structure_string": "Ca1 Mg6 Ti1\n1.0\n6.240971 -1.670677 0.000000\n-4.567333 7.910852 0.000000\n0.000000 0.000000 4.484952\nCa Mg Ti\n1 6 1\ndirect\n0.250044 0.375021 0.250000 Ca\n0.749969 0.374961 0.250000 Mg\n0.749969 0.875008 0.250000 Mg\n0.249968 0.107013 0.750000 Mg\n0.249968 0.642955 0.750000 Mg\n0.714084 0.107042 0.750000 Mg\n0.785994 0.642996 0.750000 Mg\n0.250004 0.875001 0.250000 Ti\n",
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{
"id": "jvasp-94056",
"created_at": "2022-09-04T14:35:54.364433Z",
"updated_at": "2022-09-04T14:35:54.364451Z",
"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",
"nsites": 8,
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"elements": [
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"density": 2.0533583444715955,
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"formula_full": "Na1 Mg6 V1",
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{
"id": "jvasp-94086",
"created_at": "2022-09-04T14:35:54.799297Z",
"updated_at": "2022-09-04T14:35:54.799322Z",
"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.054956 -0.139272 0.000000\n-3.148091 5.452653 0.000000\n0.000000 0.000000 4.704133\nMg Ga Ni\n6 1 1\ndirect\n0.676717 0.336150 0.250000 Mg\n0.676717 0.840566 0.250000 Mg\n0.318603 0.171839 0.750000 Mg\n0.318603 0.646763 0.750000 Mg\n0.844358 0.172178 0.750000 Mg\n0.835632 0.667816 0.750000 Mg\n0.171464 0.835731 0.250000 Ga\n0.157911 0.328955 0.250000 Ni\n",
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"density": 2.971649465645792,
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"volume": 153.24716671299737,
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"formula_full": "Mg6 Ga1 Ni1",
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{
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"created_at": "2022-09-04T14:36:02.273789Z",
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"structure_string": "Mg6 Nb1 Bi1\n1.0\n6.284085 0.109079 0.000000\n-3.047578 5.496714 0.000000\n0.000000 0.000000 5.069760\nMg Nb Bi\n6 1 1\ndirect\n0.155681 0.819013 0.250000 Mg\n0.680987 0.344319 0.250000 Mg\n0.662516 0.837483 0.250000 Mg\n0.330597 0.655814 0.750000 Mg\n0.844186 0.169403 0.750000 Mg\n0.834282 0.665718 0.750000 Mg\n0.159945 0.340055 0.250000 Nb\n0.331807 0.168193 0.750000 Bi\n",
"nsites": 8,
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"volume": 176.80405110103288,
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"formula_full": "Mg6 Nb1 Bi1",
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{
"id": "jvasp-90640",
"created_at": "2022-09-04T14:35:51.940615Z",
"updated_at": "2022-09-04T14:35:51.940633Z",
"structure_string": "Zr1 Cr1 F6\n1.0\n5.034901 0.000000 2.906901\n1.678300 4.746951 2.906901\n0.000000 0.000000 5.813804\nZr Cr F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.252998 0.747002 0.747002 F\n0.252998 0.747002 0.252998 F\n0.747002 0.252998 0.252998 F\n0.747002 0.747002 0.252997 F\n0.252998 0.252998 0.747002 F\n0.747002 0.252998 0.747002 F\n",
"nsites": 8,
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"formula_full": "Zr1 Cr1 F6",
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{
"id": "jvasp-91975",
"created_at": "2022-09-04T14:35:49.973045Z",
"updated_at": "2022-09-04T14:35:49.973068Z",
"structure_string": "Cr1 Cd1 F6\n1.0\n4.550405 0.035196 3.230747\n1.687364 4.226136 3.230746\n0.051521 0.035198 5.580435\nCr Cd F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.500001 Cd\n0.377163 0.062974 0.785279 F\n0.062972 0.785280 0.377164 F\n0.214720 0.622838 0.937028 F\n0.937027 0.214723 0.622837 F\n0.622836 0.937029 0.214722 F\n0.785279 0.377164 0.062973 F\n",
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{
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"created_at": "2022-09-04T14:35:58.487374Z",
"updated_at": "2022-09-04T14:35:58.487403Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.510345 0.001589 0.000000\n-3.253797 5.638918 0.000000\n0.000000 0.000000 5.107095\nSr Mg V\n1 6 1\ndirect\n0.416652 0.083349 0.750001 Sr\n0.067089 0.908452 0.250000 Mg\n0.591549 0.432911 0.250000 Mg\n0.591541 0.908460 0.250000 Mg\n0.392644 0.571339 0.750001 Mg\n0.928662 0.107357 0.750001 Mg\n0.928542 0.571459 0.750001 Mg\n0.083323 0.416677 0.250000 V\n",
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"formula_full": "Sr1 Mg6 V1",
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{
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"created_at": "2022-09-04T14:35:53.819603Z",
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"structure_string": "Sr1 Cr1 F6\n1.0\n4.666651 -0.003595 -0.684348\n-0.791511 4.599038 -0.684348\n-0.003031 -0.003595 4.716561\nSr Cr F\n1 1 6\ndirect\n0.500000 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Cr\n0.720022 0.720022 0.076320 F\n0.720022 0.076319 0.720022 F\n0.279978 0.923679 0.279977 F\n0.279978 0.279976 0.923679 F\n0.923679 0.279976 0.279977 F\n0.076321 0.720022 0.720022 F\n",
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