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{
"id": "jvasp-90634",
"created_at": "2022-09-04T14:36:05.569039Z",
"updated_at": "2022-09-04T14:36:05.569064Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.801630 0.698885 0.000000\n-2.795562 4.842055 0.000000\n0.000000 0.000000 4.959792\nCe Mg Fe\n1 6 1\ndirect\n0.125528 0.812764 0.250000 Ce\n0.625177 0.313934 0.250000 Mg\n0.625177 0.811243 0.250000 Mg\n0.347009 0.178800 0.750000 Mg\n0.347009 0.668211 0.750000 Mg\n0.931025 0.215513 0.750000 Mg\n0.802378 0.651189 0.750000 Mg\n0.196697 0.348348 0.250000 Fe\n",
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],
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{
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"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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{
"id": "jvasp-94098",
"created_at": "2022-09-04T14:35:54.227460Z",
"updated_at": "2022-09-04T14:35:54.227494Z",
"structure_string": "Hf1 Mg6 Ni1\n1.0\n6.331126 -0.159304 0.000000\n-3.303525 5.403263 0.000000\n0.000000 0.000000 4.806785\nHf Mg Ni\n1 6 1\ndirect\n0.307808 0.192192 0.749999 Hf\n0.175961 0.837916 0.250000 Mg\n0.662085 0.324040 0.250000 Mg\n0.674878 0.825123 0.250000 Mg\n0.319026 0.671315 0.749999 Mg\n0.828686 0.180976 0.749999 Mg\n0.833808 0.666193 0.749999 Mg\n0.197755 0.302245 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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"density": 3.9282976197120743,
"density_atomic": 0.04941187169170443,
"volume": 161.90441135106988,
"volume_molar": 12.187639435263556,
"formula_full": "Hf1 Mg6 Ni1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93064",
"created_at": "2022-09-04T14:36:08.199455Z",
"updated_at": "2022-09-04T14:36:08.199472Z",
"structure_string": "Na1 Mg6 Cr1\n1.0\n6.378308 0.016322 0.000000\n-3.175018 5.531937 0.000000\n0.000000 0.000000 5.135213\nNa Mg Cr\n1 6 1\ndirect\n0.165805 0.334195 0.250000 Na\n0.171160 0.848279 0.250000 Mg\n0.651721 0.328840 0.250000 Mg\n0.665225 0.834775 0.250000 Mg\n0.336695 0.669451 0.750000 Mg\n0.830549 0.163305 0.750000 Mg\n0.835667 0.664333 0.750000 Mg\n0.343178 0.156822 0.750000 Cr\n",
"nsites": 8,
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"elements": [
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"Mg",
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],
"chemical_system": "Cr-Mg-Na",
"density": 2.020695240149943,
"density_atomic": 0.044087089259041604,
"volume": 181.4590197369249,
"volume_molar": 13.659646987842248,
"formula_full": "Na1 Mg6 Cr1",
"formula_reduced": "NaMg6Cr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0004762500000007,
"spacegroup": 38
},
{
"id": "jvasp-93095",
"created_at": "2022-09-04T14:36:02.730543Z",
"updated_at": "2022-09-04T14:36:02.730576Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n8.359936 0.111553 0.000000\n-4.083360 7.295694 0.000000\n0.000000 0.000000 3.272517\nRb Mg B\n1 6 1\ndirect\n0.161441 0.338558 0.250000 Rb\n0.170785 0.940324 0.250000 Mg\n0.559676 0.329215 0.250000 Mg\n0.713539 0.786460 0.250000 Mg\n0.372793 0.792472 0.750001 Mg\n0.707528 0.127206 0.750001 Mg\n0.913842 0.586158 0.750001 Mg\n0.400396 0.099604 0.750001 B\n",
"nsites": 8,
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"elements": [
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"Mg",
"B"
],
"chemical_system": "B-Mg-Rb",
"density": 1.9992944114709357,
"density_atomic": 0.039783873599704304,
"volume": 201.086502548597,
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"formula_full": "Rb1 Mg6 B1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-92862",
"created_at": "2022-09-04T14:36:06.935629Z",
"updated_at": "2022-09-04T14:36:06.935653Z",
"structure_string": "Mg6 Nb1 Ga1\n1.0\n6.229824 0.015191 0.000000\n-3.101755 5.402780 0.000000\n0.000000 0.000000 4.833770\nMg Nb Ga\n6 1 1\ndirect\n0.171551 0.833007 0.250000 Mg\n0.666993 0.328448 0.250000 Mg\n0.667807 0.832192 0.250000 Mg\n0.330463 0.657172 0.750000 Mg\n0.842827 0.169536 0.750000 Mg\n0.833338 0.666661 0.750000 Mg\n0.173508 0.326491 0.250000 Nb\n0.313506 0.186493 0.750000 Ga\n",
"nsites": 8,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Mg-Nb",
"density": 3.143840372703672,
"density_atomic": 0.04910247633366855,
"volume": 162.92457320557915,
"volume_molar": 12.264433913836525,
"formula_full": "Mg6 Nb1 Ga1",
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{
"id": "jvasp-94067",
"created_at": "2022-09-04T14:36:02.327751Z",
"updated_at": "2022-09-04T14:36:02.327781Z",
"structure_string": "Mg6 V1 Cr1\n1.0\n6.196278 -0.014033 0.000000\n-3.110292 5.387185 0.000000\n0.000000 0.000000 4.933691\nMg V Cr\n6 1 1\ndirect\n0.662305 0.330520 0.250000 Mg\n0.662305 0.831784 0.250000 Mg\n0.326471 0.164809 0.750000 Mg\n0.326471 0.661662 0.750000 Mg\n0.845986 0.172993 0.750000 Mg\n0.845493 0.672747 0.750000 Mg\n0.164313 0.332156 0.250000 V\n0.166659 0.833329 0.250000 Cr\n",
"nsites": 8,
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"elements": [
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"V",
"Cr"
],
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"density": 2.511576539979788,
"density_atomic": 0.04863999156963834,
"volume": 164.47371271737012,
"volume_molar": 12.381048116297562,
"formula_full": "Mg6 V1 Cr1",
"formula_reduced": "Mg6VCr",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-86468",
"created_at": "2022-09-04T14:36:02.651269Z",
"updated_at": "2022-09-04T14:36:02.651295Z",
"structure_string": "Cu1 Sn1 F6\n1.0\n5.059826 0.059100 0.008583\n2.470901 3.723763 2.371251\n-0.006209 -0.081060 5.525189\nCu Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 Sn\n0.749973 0.852165 0.251904 F\n0.250027 0.147834 0.748096 F\n0.601909 0.502977 0.747667 F\n0.398092 0.497022 0.252333 F\n0.104872 0.144843 0.252416 F\n0.895128 0.855156 0.747584 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.717985545489566,
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"volume": 104.26669341796698,
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"formula_full": "Cu1 Sn1 F6",
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"formula_anonymous": "ABC6",
"energy_above_hull": 0.00014875,
"spacegroup": 148
},
{
"id": "jvasp-92924",
"created_at": "2022-09-04T14:35:58.193573Z",
"updated_at": "2022-09-04T14:35:58.193609Z",
"structure_string": "Mg6 W1 C1\n1.0\n6.278489 0.397259 0.000000\n-2.795208 4.841442 0.000000\n0.000000 0.000000 4.540819\nMg W C\n6 1 1\ndirect\n0.617358 0.302567 0.250000 Mg\n0.617357 0.814790 0.250000 Mg\n0.316642 0.158234 0.750000 Mg\n0.316642 0.658409 0.750000 Mg\n0.845227 0.172614 0.750000 Mg\n0.872072 0.686037 0.750000 Mg\n0.125058 0.312528 0.250000 W\n0.289645 0.894822 0.250000 C\n",
"nsites": 8,
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"density": 3.965731560726798,
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"volume": 143.06922744646187,
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"spacegroup": 38
},
{
"id": "jvasp-92897",
"created_at": "2022-09-04T14:36:06.738470Z",
"updated_at": "2022-09-04T14:36:06.738496Z",
"structure_string": "Mg6 Mo1 C1\n1.0\n6.889822 0.677690 0.000000\n-2.858014 4.950225 0.000000\n0.000000 0.000000 4.101205\nMg Mo C\n6 1 1\ndirect\n0.603823 0.301277 0.250000 Mg\n0.603823 0.802544 0.250000 Mg\n0.301410 0.138281 0.750001 Mg\n0.301410 0.663129 0.750001 Mg\n0.852342 0.176172 0.750001 Mg\n0.894074 0.697038 0.750001 Mg\n0.131010 0.315504 0.250000 Mo\n0.312105 0.906051 0.250000 C\n",
"nsites": 8,
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],
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"density": 2.8508546675921,
"density_atomic": 0.05411994876040808,
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{
"id": "jvasp-93143",
"created_at": "2022-09-04T14:35:53.949142Z",
"updated_at": "2022-09-04T14:35:53.949166Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.364231 0.030546 0.000000\n-3.155662 5.465766 0.000000\n0.000000 0.000000 5.079176\nNa Mg Si\n1 6 1\ndirect\n0.166890 0.833444 0.250000 Na\n0.667780 0.336373 0.250000 Mg\n0.667780 0.831408 0.250000 Mg\n0.327964 0.171430 0.750001 Mg\n0.327964 0.656536 0.750001 Mg\n0.835876 0.167939 0.750001 Mg\n0.827371 0.663687 0.750001 Mg\n0.178378 0.339188 0.250000 Si\n",
"nsites": 8,
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],
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"density_atomic": 0.04515417985956059,
"volume": 177.17075196320152,
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"formula_full": "Na1 Mg6 Si1",
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{
"id": "jvasp-92880",
"created_at": "2022-09-04T14:35:54.233528Z",
"updated_at": "2022-09-04T14:35:54.233550Z",
"structure_string": "Mg6 Cr1 B1\n1.0\n6.712266 0.469584 0.000000\n-2.949462 5.108616 0.000000\n0.000000 0.000000 4.375733\nMg Cr B\n6 1 1\ndirect\n0.619101 0.307773 0.250000 Mg\n0.619101 0.811325 0.250000 Mg\n0.303876 0.139930 0.750000 Mg\n0.303877 0.663947 0.750000 Mg\n0.850157 0.175079 0.750000 Mg\n0.875436 0.687716 0.750000 Mg\n0.146573 0.323287 0.250000 Cr\n0.281881 0.890941 0.250000 B\n",
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