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{
"id": "jvasp-94132",
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"structure_string": "Mg6 Nb1 Co1\n1.0\n6.201880 0.261195 0.000000\n-2.874738 4.979192 0.000000\n0.000000 0.000000 4.787436\nMg Nb Co\n6 1 1\ndirect\n0.644527 0.323447 0.250000 Mg\n0.644527 0.821080 0.250000 Mg\n0.332750 0.166261 0.750001 Mg\n0.332750 0.666490 0.750001 Mg\n0.887075 0.193539 0.750001 Mg\n0.846309 0.673156 0.750001 Mg\n0.141422 0.820711 0.250000 Nb\n0.170640 0.335320 0.250000 Co\n",
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{
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"structure_string": "Ba1 Ti1 O3\n1.0\n0.000000 -2.873928 -2.887560\n0.000000 -2.873928 2.887560\n-3.999092 0.000000 0.000000\nBa Ti O\n1 1 3\ndirect\n0.312110 0.687891 0.000000 Ba\n0.827201 0.172800 0.500000 Ti\n0.795886 0.204115 0.000000 O\n-0.201149 0.713246 0.500000 O\n0.286754 0.201149 0.500000 O\n",
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{
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"structure_string": "Mg6 Al1 Cr1\n1.0\n6.203951 0.045692 0.000000\n-3.062405 5.304241 0.000000\n0.000000 0.000000 4.957613\nMg Al Cr\n6 1 1\ndirect\n0.665164 0.333635 0.250000 Mg\n0.665164 0.831527 0.250000 Mg\n0.329573 0.160371 0.750000 Mg\n0.329573 0.669203 0.750000 Mg\n0.838370 0.169185 0.750000 Mg\n0.843886 0.671943 0.750000 Mg\n0.164742 0.332370 0.250000 Al\n0.163528 0.831763 0.250000 Cr\n",
"nsites": 8,
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"volume": 163.83512256516255,
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"formula_full": "Mg6 Al1 Cr1",
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},
{
"id": "jvasp-93180",
"created_at": "2022-09-04T14:35:42.597853Z",
"updated_at": "2022-09-04T14:35:42.597865Z",
"structure_string": "K1 Mg6 Sb1\n1.0\n7.509646 -0.591489 0.000000\n-4.267067 6.207799 0.000000\n0.000000 0.000000 4.980470\nK Mg Sb\n1 6 1\ndirect\n0.205415 0.294585 0.250000 K\n0.161164 0.797343 0.250000 Mg\n0.702657 0.338836 0.250000 Mg\n0.632149 0.867851 0.250000 Mg\n0.308786 0.679044 0.750000 Mg\n0.820956 0.191214 0.750000 Mg\n0.790167 0.709833 0.750000 Mg\n0.378707 0.121293 0.750000 Sb\n",
"nsites": 8,
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"density": 2.31895355171082,
"density_atomic": 0.03642803382882367,
"volume": 219.61108407860328,
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"formula_full": "K1 Mg6 Sb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94764",
"created_at": "2022-09-04T14:35:42.701917Z",
"updated_at": "2022-09-04T14:35:42.701949Z",
"structure_string": "Mg6 Nb1 Al1\n1.0\n6.256500 -0.008453 0.000000\n-3.135571 5.414062 0.000000\n0.000000 0.000000 4.847631\nMg Nb Al\n6 1 1\ndirect\n0.172977 0.843371 0.250000 Mg\n0.656629 0.327023 0.250000 Mg\n0.668480 0.831520 0.250000 Mg\n0.327941 0.667000 0.750000 Mg\n0.833000 0.172059 0.750000 Mg\n0.832655 0.667346 0.750000 Mg\n0.324521 0.175479 0.750000 Nb\n0.183799 0.316201 0.250000 Al\n",
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"density": 2.6892159038932926,
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"volume": 164.0757009848648,
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{
"id": "jvasp-91949",
"created_at": "2022-09-04T14:35:42.896315Z",
"updated_at": "2022-09-04T14:35:42.896335Z",
"structure_string": "Ce1 Mg6 Al1\n1.0\n7.047364 0.547824 0.000000\n-3.049254 5.281462 0.000000\n0.000000 0.000000 4.934197\nCe Mg Al\n1 6 1\ndirect\n0.114484 0.807240 0.250000 Ce\n0.631771 0.309769 0.250000 Mg\n0.631771 0.822000 0.250000 Mg\n0.348880 0.169566 0.750000 Mg\n0.348880 0.679315 0.750000 Mg\n0.912997 0.206499 0.750000 Mg\n0.791834 0.645917 0.750000 Mg\n0.219382 0.359690 0.250000 Al\n",
"nsites": 8,
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"density": 2.707877892280883,
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"volume": 191.89506452323423,
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"formula_full": "Ce1 Mg6 Al1",
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{
"id": "jvasp-90637",
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"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
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"density": 2.7711200504568447,
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"volume": 178.7395189541012,
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"formula_full": "Y1 Mg6 Cu1",
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"spacegroup": 38
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{
"id": "jvasp-90123",
"created_at": "2022-09-04T14:35:43.543384Z",
"updated_at": "2022-09-04T14:35:43.543406Z",
"structure_string": "Dy2 Cu1 Ge6\n1.0\n4.110671 0.000000 0.000000\n0.000000 4.046001 -0.000000\n0.000000 -2.023000 10.703614\nDy Cu Ge\n2 1 6\ndirect\n0.000000 0.004771 0.009542 Dy\n0.000000 0.668357 0.336714 Dy\n0.500000 0.224344 0.448687 Cu\n0.000000 0.284837 0.569674 Ge\n0.000000 0.401720 0.803441 Ge\n0.500000 0.542730 0.085459 Ge\n0.500000 0.115861 0.231725 Ge\n0.500000 0.902805 0.805610 Ge\n0.500000 0.785574 0.571147 Ge\n",
"nsites": 9,
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"density": 7.689720619671545,
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"formula_full": "Dy2 Cu1 Ge6",
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{
"id": "jvasp-92891",
"created_at": "2022-09-04T14:35:43.178587Z",
"updated_at": "2022-09-04T14:35:43.178613Z",
"structure_string": "Mg6 Cr1 Ga1\n1.0\n6.193614 0.009195 0.000000\n-3.088844 5.368424 0.000000\n0.000000 0.000000 4.890712\nMg Cr Ga\n6 1 1\ndirect\n0.169544 0.839121 0.250000 Mg\n0.660878 0.330455 0.250000 Mg\n0.665986 0.834012 0.250000 Mg\n0.330556 0.655865 0.750000 Mg\n0.844134 0.169443 0.750000 Mg\n0.832553 0.667445 0.750000 Mg\n0.171785 0.328215 0.250000 Cr\n0.324561 0.175438 0.750000 Ga\n",
"nsites": 8,
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"formula_full": "Mg6 Cr1 Ga1",
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"spacegroup": 38
},
{
"id": "jvasp-92850",
"created_at": "2022-09-04T14:35:43.240731Z",
"updated_at": "2022-09-04T14:35:43.240754Z",
"structure_string": "Ba1 Mg6 Ga1\n1.0\n6.718723 0.770933 0.000000\n-2.691714 6.204048 0.000000\n0.000000 0.000000 4.898525\nBa Mg Ga\n1 6 1\ndirect\n0.121166 0.378834 0.250000 Ba\n0.210097 0.904676 0.250000 Mg\n0.595324 0.289903 0.250000 Mg\n0.692929 0.807071 0.250000 Mg\n0.399169 0.719587 0.750001 Mg\n0.780413 0.100830 0.750001 Mg\n0.869193 0.630807 0.750001 Mg\n0.331709 0.168290 0.750001 Ga\n",
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"density": 2.7336900304180047,
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{
"id": "jvasp-93082",
"created_at": "2022-09-04T14:35:43.261737Z",
"updated_at": "2022-09-04T14:35:43.261766Z",
"structure_string": "Mg6 Cr1 Si1\n1.0\n6.134066 0.038479 0.000000\n-3.033709 5.254538 0.000000\n0.000000 0.000000 4.918482\nMg Cr Si\n6 1 1\ndirect\n0.665778 0.333839 0.250000 Mg\n0.665778 0.831938 0.250000 Mg\n0.330140 0.162176 0.750000 Mg\n0.330140 0.667966 0.750000 Mg\n0.840726 0.170363 0.750000 Mg\n0.842842 0.671422 0.750000 Mg\n0.163685 0.831842 0.250000 Cr\n0.160915 0.330457 0.250000 Si\n",
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{
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"structure_string": "K1 Mg6 Cu1\n1.0\n7.730006 -0.850949 0.000000\n-4.601946 6.268906 0.000000\n0.000000 0.000000 4.677923\nK Mg Cu\n1 6 1\ndirect\n0.286878 0.213122 0.750000 K\n0.203342 0.806602 0.250000 Mg\n0.693399 0.296658 0.250000 Mg\n0.692311 0.807689 0.250000 Mg\n0.326834 0.669457 0.750000 Mg\n0.830544 0.173166 0.750000 Mg\n0.864855 0.635146 0.750000 Mg\n0.101839 0.398161 0.250000 Cu\n",
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}