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{
"id": "jvasp-93152",
"created_at": "2022-09-04T14:36:13.003323Z",
"updated_at": "2022-09-04T14:36:13.003350Z",
"structure_string": "Ce1 Mg6 W1\n1.0\n6.560249 0.462146 0.000000\n-2.879895 4.988124 0.000000\n0.000000 0.000000 5.125637\nCe Mg W\n1 6 1\ndirect\n0.142569 0.321284 0.250000 Ce\n0.647106 0.323942 0.250000 Mg\n0.647106 0.823162 0.250000 Mg\n0.338760 0.160377 0.750000 Mg\n0.338760 0.678383 0.750000 Mg\n0.823187 0.161594 0.750000 Mg\n0.897047 0.698524 0.750000 Mg\n0.165467 0.832732 0.250000 W\n",
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{
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"structure_string": "Nb1 Fe1 F6\n1.0\n4.704279 0.077541 3.144273\n1.720506 4.379054 3.144273\n0.111786 0.077541 5.657226\nNb Fe F\n1 1 6\ndirect\n0.500001 0.499999 0.499999 Nb\n0.000000 0.000000 0.000000 Fe\n0.373317 0.130317 0.748747 F\n0.748748 0.373316 0.130316 F\n0.130318 0.748746 0.373316 F\n0.626685 0.869682 0.251252 F\n0.251255 0.626683 0.869683 F\n0.869684 0.251252 0.626683 F\n",
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{
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"created_at": "2022-09-04T14:36:21.605251Z",
"updated_at": "2022-09-04T14:36:21.605285Z",
"structure_string": "K1 Au1 F6\n1.0\n4.965434 -0.028451 -0.719241\n-0.826891 4.896182 -0.719241\n-0.024189 -0.028451 5.017196\nK Au F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.721939 0.072909 0.721940 F\n0.072909 0.721940 0.721940 F\n0.278060 0.278060 0.927092 F\n0.927091 0.278060 0.278061 F\n0.278060 0.927091 0.278061 F\n0.721939 0.721940 0.072909 F\n",
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"volume": 121.65416592429663,
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"formula_full": "K1 Au1 F6",
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{
"id": "jvasp-92868",
"created_at": "2022-09-04T14:36:18.220278Z",
"updated_at": "2022-09-04T14:36:18.220309Z",
"structure_string": "Mg6 Cr1 Cd1\n1.0\n6.247012 0.004358 0.000000\n-3.119733 5.412250 0.000000\n0.000000 0.000000 4.990264\nMg Cr Cd\n6 1 1\ndirect\n0.167560 0.836255 0.250000 Mg\n0.663745 0.332440 0.250000 Mg\n0.665510 0.834490 0.250000 Mg\n0.331012 0.655698 0.749999 Mg\n0.844302 0.168989 0.749999 Mg\n0.832913 0.667088 0.749999 Mg\n0.164186 0.335814 0.250000 Cr\n0.330773 0.169227 0.749999 Cd\n",
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"elements": [
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"Cd"
],
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"density": 3.0520701798703795,
"density_atomic": 0.047395998064524665,
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"formula_full": "Mg6 Cr1 Cd1",
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"spacegroup": 38
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{
"id": "jvasp-92913",
"created_at": "2022-09-04T14:36:22.105331Z",
"updated_at": "2022-09-04T14:36:22.105365Z",
"structure_string": "Mg6 Nb1 Ga1\n1.0\n6.236749 0.171424 0.000000\n-2.969917 5.144047 0.000000\n0.000000 0.000000 4.950907\nMg Nb Ga\n6 1 1\ndirect\n0.655008 0.326931 0.250000 Mg\n0.655008 0.828077 0.250000 Mg\n0.336754 0.177140 0.750001 Mg\n0.336754 0.659616 0.750001 Mg\n0.847971 0.173986 0.750001 Mg\n0.855349 0.677675 0.750001 Mg\n0.150602 0.325300 0.250000 Nb\n0.162551 0.831276 0.250000 Ga\n",
"nsites": 8,
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"density": 3.1743978685577225,
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"formula_full": "Mg6 Nb1 Ga1",
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"spacegroup": 38
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{
"id": "jvasp-93105",
"created_at": "2022-09-04T14:36:11.056365Z",
"updated_at": "2022-09-04T14:36:11.056377Z",
"structure_string": "Ce1 Mg6 Sb1\n1.0\n6.766315 0.274301 0.000000\n-3.145606 5.448349 0.000000\n0.000000 0.000000 5.242465\nCe Mg Sb\n1 6 1\ndirect\n0.144305 0.322152 0.250000 Ce\n0.651847 0.325587 0.250000 Mg\n0.651847 0.826260 0.250000 Mg\n0.360009 0.185855 0.750001 Mg\n0.360008 0.674155 0.750001 Mg\n0.816571 0.158287 0.750001 Mg\n0.853873 0.676937 0.750001 Mg\n0.161536 0.830769 0.250000 Sb\n",
"nsites": 8,
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"density_atomic": 0.040447310213525475,
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{
"id": "jvasp-94169",
"created_at": "2022-09-04T14:36:21.744871Z",
"updated_at": "2022-09-04T14:36:21.744893Z",
"structure_string": "Mg6 Co1 C1\n1.0\n5.976904 -1.254253 0.000000\n-4.074666 7.057528 0.000000\n0.000000 0.000000 3.731524\nMg Co C\n6 1 1\ndirect\n0.785602 0.392707 0.250000 Mg\n0.785601 0.892896 0.250000 Mg\n0.268739 0.063886 0.749999 Mg\n0.268739 0.704854 0.749999 Mg\n0.916107 0.208054 0.749999 Mg\n0.686682 0.593342 0.749999 Mg\n0.288246 0.394123 0.250000 Co\n0.000281 0.750140 0.250000 C\n",
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"volume": 138.33321166402112,
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"formula_full": "Mg6 Co1 C1",
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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",
"nsites": 8,
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"volume": 153.45845670779158,
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{
"id": "jvasp-94109",
"created_at": "2022-09-04T14:36:15.377880Z",
"updated_at": "2022-09-04T14:36:15.377900Z",
"structure_string": "Mg6 Ni1 Sn1\n1.0\n6.380955 -0.127725 0.000000\n-3.301089 5.462205 0.000000\n0.000000 0.000000 4.807747\nMg Ni Sn\n6 1 1\ndirect\n0.169336 0.817077 0.250000 Mg\n0.682924 0.330666 0.250000 Mg\n0.670438 0.829563 0.250000 Mg\n0.329404 0.639905 0.750000 Mg\n0.860096 0.170597 0.750000 Mg\n0.832673 0.667329 0.750000 Mg\n0.121937 0.378064 0.250000 Ni\n0.333192 0.166809 0.750000 Sn\n",
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{
"id": "jvasp-93205",
"created_at": "2022-09-04T14:36:14.633556Z",
"updated_at": "2022-09-04T14:36:14.633588Z",
"structure_string": "Li1 Mg6 W1\n1.0\n6.098512 0.000576 0.000000\n-3.048757 5.281753 0.000000\n0.000000 0.000000 4.904422\nLi Mg W\n1 6 1\ndirect\n0.083385 0.416615 0.250000 Li\n0.104594 0.927272 0.250000 Mg\n0.572727 0.395406 0.250000 Mg\n0.572739 0.927260 0.250000 Mg\n0.415272 0.582679 0.750000 Mg\n0.917321 0.084728 0.750000 Mg\n0.917318 0.582682 0.750000 Mg\n0.416641 0.083359 0.750000 W\n",
"nsites": 8,
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{
"id": "jvasp-91962",
"created_at": "2022-09-04T14:36:18.015352Z",
"updated_at": "2022-09-04T14:36:18.015388Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n8.656928 0.238333 0.000000\n-4.122061 7.139619 0.000000\n0.000000 0.000000 3.335551\nRb Mg C\n1 6 1\ndirect\n0.078515 0.289258 0.250000 Rb\n0.626035 0.373083 0.250000 Mg\n0.626035 0.752950 0.250000 Mg\n0.322104 0.070687 0.750000 Mg\n0.322104 0.751419 0.750000 Mg\n0.643433 0.071717 0.750000 Mg\n0.929607 0.714803 0.750000 Mg\n0.452167 0.976083 0.250000 C\n",
"nsites": 8,
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{
"id": "jvasp-87076",
"created_at": "2022-09-04T14:36:17.954881Z",
"updated_at": "2022-09-04T14:36:17.954909Z",
"structure_string": "Ba2 Tb2 F12\n1.0\n4.680974 -0.000000 0.000000\n-0.000000 6.867903 -3.359435\n0.000000 -0.537848 7.626573\nTb Ba F\n2 2 12\ndirect\n0.000000 0.250000 0.250000 Tb\n0.000000 0.749999 0.750000 Tb\n0.674418 0.250000 0.750000 Ba\n0.325582 0.750000 0.250000 Ba\n0.756393 0.460939 0.169709 F\n0.756393 0.039061 0.330291 F\n0.243606 0.169709 0.460939 F\n0.243606 0.330291 0.039061 F\n0.766155 0.451286 0.548713 F\n0.766155 0.048713 0.951286 F\n0.233844 0.548713 0.451287 F\n0.233844 0.951286 0.048714 F\n0.756393 0.669709 0.960939 F\n0.756393 0.830290 0.539061 F\n0.243606 0.960938 0.669709 F\n0.243606 0.539060 0.830291 F\n",
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