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{
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"formula_full": "Al8 Cr12 Si12 O48",
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{
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"structure_string": "Al4 Cr8 O38\n1.0\n10.735474 0.000000 0.000000\n0.000000 5.425186 0.000000\n0.000000 5.361869 13.762821\nAl Cr O\n4 8 38\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.345144 0.500000 0.250000 Al\n0.654856 0.500000 0.750000 Al\n0.095049 0.358260 0.129271 Cr\n0.904951 0.641740 0.870729 Cr\n0.095049 0.641740 0.370729 Cr\n0.904951 0.358260 0.629271 Cr\n0.601406 0.268312 0.152802 Cr\n0.398594 0.731688 0.847198 Cr\n0.601406 0.731688 0.347198 Cr\n0.398594 0.268312 0.652802 Cr\n0.105529 0.132308 0.073635 O\n0.894471 0.867692 0.926365 O\n0.105529 0.867692 0.426365 O\n0.894471 0.132308 0.573635 O\n0.082845 0.669816 0.047133 O\n0.917155 0.330184 0.952867 O\n0.082845 0.330184 0.452867 O\n0.917155 0.669816 0.547133 O\n0.973073 0.293053 0.195202 O\n0.026927 0.706947 0.804798 O\n0.973073 0.706947 0.304798 O\n0.026927 0.293053 0.695202 O\n0.221062 0.337140 0.200327 O\n0.778938 0.662860 0.799673 O\n0.221062 0.662860 0.299673 O\n0.778938 0.337140 0.700327 O\n0.666269 0.000000 0.250000 O\n0.333731 0.000000 0.750000 O\n0.698881 0.508483 0.120690 O\n0.301119 0.491517 0.879310 O\n0.698881 0.491517 0.379310 O\n0.301119 0.508483 0.620690 O\n0.465291 0.356736 0.192346 O\n0.534709 0.643264 0.807654 O\n0.465291 0.643264 0.307654 O\n0.534709 0.356736 0.692346 O\n0.574461 0.179846 0.061400 O\n0.425539 0.820154 0.938600 O\n0.574461 0.820154 0.438600 O\n0.425539 0.179846 0.561400 O\n0.885409 0.884083 0.105306 O\n0.114591 0.115917 0.894694 O\n0.885409 0.115917 0.394694 O\n0.114591 0.884083 0.605306 O\n0.345141 0.805323 0.133259 O\n0.654859 0.194677 0.866741 O\n0.345141 0.194677 0.366741 O\n0.654859 0.805323 0.633259 O\n",
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{
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"created_at": "2022-09-04T14:42:51.965938Z",
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{
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"structure_string": "Al8 Cr4 Cl32\n1.0\n6.190347 0.000000 0.000000\n0.000000 13.785083 0.000000\n0.000000 0.000000 15.719869\nAl Cr Cl\n8 4 32\ndirect\n0.884548 0.090254 0.742568 Al\n0.604062 0.909794 0.005406 Al\n0.395938 0.409794 0.994594 Al\n0.884548 0.590254 0.757432 Al\n0.604062 0.409794 0.494594 Al\n0.115452 0.090254 0.242568 Al\n0.115452 0.590254 0.257432 Al\n0.395938 0.909794 0.505406 Al\n0.245757 0.000005 0.873450 Cr\n0.754243 0.500005 0.126550 Cr\n0.754243 0.000005 0.373450 Cr\n0.245757 0.500005 0.626550 Cr\n0.001334 0.665875 0.365135 Cl\n0.948980 0.411187 0.498419 Cl\n0.460467 0.089194 0.247052 Cl\n0.539533 0.589194 0.752948 Cl\n0.464852 0.557857 0.510810 Cl\n0.051020 0.411187 0.998419 Cl\n0.538061 0.854701 0.384216 Cl\n0.027836 0.644789 0.636441 Cl\n0.998666 0.665875 0.865135 Cl\n0.460467 0.589194 0.252948 Cl\n0.025230 0.942101 0.757812 Cl\n0.464852 0.057857 0.989190 Cl\n0.051020 0.911187 0.501581 Cl\n0.486966 0.835033 0.113148 Cl\n0.535148 0.557857 0.010810 Cl\n0.513034 0.335033 0.886852 Cl\n0.974770 0.942101 0.257812 Cl\n0.513034 0.835033 0.613148 Cl\n0.461939 0.854701 0.884216 Cl\n0.461939 0.354701 0.615784 Cl\n0.001334 0.165875 0.134865 Cl\n0.025230 0.442101 0.742188 Cl\n0.027836 0.144789 0.863559 Cl\n0.535148 0.057857 0.489190 Cl\n0.974770 0.442101 0.242188 Cl\n0.972164 0.644789 0.136441 Cl\n0.538061 0.354701 0.115784 Cl\n0.998666 0.165875 0.634865 Cl\n0.486966 0.335033 0.386852 Cl\n0.539533 0.089194 0.747052 Cl\n0.948980 0.911187 0.001581 Cl\n0.972164 0.144789 0.363559 Cl\n",
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{
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{
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{
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"formula_full": "Al4 Cr2 N6",
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{
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"formula_full": "Al8 Cr4 O20",
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},
{
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"structure_string": "Al4 Cr2 O10\n1.0\n2.221236 4.440761 0.000309\n-3.162987 4.358209 0.018946\n-2.234339 1.118115 6.365258\nAl Cr O\n4 2 10\ndirect\n0.639644 0.741574 0.713332 Al\n0.382539 0.256154 0.782640 Al\n0.616523 0.741227 0.213437 Al\n0.358977 0.256206 0.282605 Al\n0.999707 0.998212 0.497904 Cr\n0.999346 0.998889 0.998271 Cr\n0.036455 0.620999 0.653170 O\n0.735518 0.830414 0.944576 O\n0.431708 0.830123 0.444428 O\n0.658583 0.376581 0.842559 O\n0.339389 0.621498 0.154132 O\n0.199925 0.998647 0.748055 O\n0.567034 0.167149 0.551504 O\n0.262766 0.167821 0.051319 O\n0.962398 0.376002 0.342181 O\n0.797880 0.999168 0.247912 O\n",
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"elements": [
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],
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"formula_full": "Al4 Cr2 O10",
"formula_reduced": "Al2CrO5",
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"updated_at": "2021-11-28T01:34:23.757000Z",
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},
{
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],
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"density_atomic": 0.05491308194162822,
"volume": 254.9483566571949,
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"formula_full": "Al4 Cr2 S8",
"formula_reduced": "Al2CrS4",
"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "mp-1097254",
"created_at": "2022-09-04T14:40:24.803684Z",
"structure_string": "Al2 Cr1 Tc1\n1.0\n-5.135269 5.207660 7.359683\n5.135269 -5.207660 7.359683\n5.135269 5.207660 -7.359683\nAl Cr Tc\n2 1 1\ndirect\n0.000000 0.261501 0.261501 Al\n0.000000 0.738499 0.738499 Al\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n",
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"elements": [
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],
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"density": 0.4301970506859836,
"density_atomic": 0.005080834763561972,
"volume": 787.2722074503677,
"volume_molar": 118.52660124255087,
"formula_full": "Al2 Cr1 Tc1",
"formula_reduced": "Al2CrTc",
"formula_anonymous": "ABC2",
"energy": -16.64693162,
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"updated_at": "2021-11-28T01:34:56.567000Z",
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}