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{
"id": "jvasp-106072",
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{
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{
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"structure_string": "Sc12 P8\n1.0\n3.723256 0.000000 0.000000\n0.000000 10.175488 0.000000\n0.000000 0.000000 10.030300\nSc P\n12 8\ndirect\n0.250000 0.224088 0.799042 Sc\n0.750001 0.451966 0.633191 Sc\n0.250000 0.548034 0.366809 Sc\n0.750001 0.626141 0.938078 Sc\n0.250000 0.373859 0.061922 Sc\n0.750001 0.126141 0.561922 Sc\n0.250000 0.873859 0.438078 Sc\n0.250000 0.724088 0.700958 Sc\n0.750001 0.275912 0.299042 Sc\n0.750001 0.951966 0.866809 Sc\n0.750001 0.775913 0.200958 Sc\n0.250000 0.048034 0.133191 Sc\n0.750001 0.685443 0.504028 P\n0.250000 0.314557 0.495972 P\n0.750001 0.185443 0.995972 P\n0.250000 0.814558 0.004028 P\n0.750001 0.510358 0.180320 P\n0.250000 0.489642 0.819680 P\n0.750001 0.010358 0.319680 P\n0.250000 0.989642 0.680321 P\n",
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{
"id": "jvasp-99626",
"created_at": "2022-09-04T14:36:33.079181Z",
"updated_at": "2022-09-04T14:36:33.079211Z",
"structure_string": "Fe4 O6\n1.0\n4.978267 -0.000014 0.000011\n-2.489156 3.638658 -2.312496\n0.000009 0.035642 5.415095\nFe O\n4 6\ndirect\n0.644511 0.289012 0.933529 Fe\n0.355490 0.710990 0.066471 Fe\n0.855509 0.711008 0.566501 Fe\n0.144491 0.288993 0.433500 Fe\n0.440413 0.190407 0.250010 O\n0.559588 0.809594 0.749989 O\n0.749994 0.809586 0.249988 O\n0.250007 0.190414 0.750013 O\n0.059606 0.500009 0.250001 O\n0.940394 0.499992 0.749999 O\n",
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"elements": [
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"formula_full": "Fe4 O6",
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{
"id": "jvasp-49866",
"created_at": "2022-09-04T14:36:32.830693Z",
"updated_at": "2022-09-04T14:36:32.830710Z",
"structure_string": "Al4 O6\n1.0\n4.849062 -0.000000 -0.000000\n-2.424530 1.399803 4.497827\n2.424530 -4.199410 -0.000000\nAl O\n4 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Al\n0.305630 0.916894 0.305631 Al\n0.694369 0.083107 0.694370 Al\n0.279468 0.775341 0.604090 O\n0.395910 0.224659 0.108217 O\n0.108217 0.224659 0.720532 O\n0.891783 0.775341 0.279469 O\n0.604089 0.775341 0.891784 O\n0.720531 0.224659 0.395911 O\n",
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"elements": [
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"volume": 91.59014830797773,
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"formula_full": "Al4 O6",
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{
"id": "jvasp-95638",
"created_at": "2022-09-04T14:36:31.999240Z",
"updated_at": "2022-09-04T14:36:31.999261Z",
"structure_string": "Ho8 S12\n1.0\n3.840579 0.000000 0.000000\n-0.000000 10.409951 0.000000\n0.000000 0.000000 10.581457\nHo S\n8 12\ndirect\n0.250000 0.313022 0.989100 Ho\n0.750000 0.813022 0.510900 Ho\n0.250000 0.186978 0.489100 Ho\n0.250000 0.503196 0.307419 Ho\n0.750000 0.496804 0.692581 Ho\n0.750000 0.003196 0.192581 Ho\n0.250000 0.996804 0.807419 Ho\n0.750000 0.686978 0.010900 Ho\n0.250000 0.626409 0.545836 S\n0.750000 0.373591 0.454164 S\n0.250000 0.303605 0.727353 S\n0.250000 0.555741 0.880869 S\n0.750000 0.444259 0.119131 S\n0.750000 0.055741 0.619131 S\n0.250000 0.944259 0.380869 S\n0.250000 0.196395 0.227353 S\n0.750000 0.803605 0.772647 S\n0.750000 0.696395 0.272647 S\n0.250000 0.873591 0.045836 S\n0.750000 0.126409 0.954164 S\n",
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"formula_full": "Ho8 S12",
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"spacegroup": 62
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{
"id": "jvasp-3150",
"created_at": "2022-09-04T14:36:12.346829Z",
"updated_at": "2022-09-04T14:36:12.346840Z",
"structure_string": "Ac2 O3\n1.0\n2.049563 -3.549946 0.000000\n2.049563 3.549946 0.000000\n0.000000 -0.000000 6.326209\nAc O\n2 3\ndirect\n0.666666 0.333332 0.755054 Ac\n0.333332 0.666666 0.244946 Ac\n0.666666 0.333332 0.355203 O\n0.333332 0.666666 0.644797 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
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"density": 9.055130359519964,
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"formula_full": "Ac2 O3",
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"spacegroup": 164
},
{
"id": "jvasp-1225",
"created_at": "2022-09-04T14:36:15.751964Z",
"updated_at": "2022-09-04T14:36:15.751984Z",
"structure_string": "Bi8 O12\n1.0\n0.000000 5.934150 -0.032529\n8.139181 0.000000 0.000000\n0.000000 -2.839589 -6.901743\nBi O\n8 12\ndirect\n0.038145 0.543761 0.274786 Bi\n0.961855 0.043761 0.225214 Bi\n0.961854 0.456239 0.725214 Bi\n0.038145 0.956239 0.774786 Bi\n0.522169 0.689839 0.869144 Bi\n0.477830 0.189839 0.630855 Bi\n0.477830 0.310161 0.130855 Bi\n0.522170 0.810161 0.369145 Bi\n0.221715 0.207329 0.793227 O\n0.778285 0.707329 0.706773 O\n0.236634 0.946367 0.122266 O\n0.763366 0.446367 0.377734 O\n0.763366 0.053632 0.877734 O\n0.727820 0.034389 0.483981 O\n0.272179 0.965611 0.516018 O\n0.727820 0.465611 0.983981 O\n0.221715 0.292671 0.293227 O\n0.272179 0.534389 0.016019 O\n0.236634 0.553632 0.622266 O\n0.778285 0.792671 0.206773 O\n",
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},
{
"id": "jvasp-100410",
"created_at": "2022-09-04T14:36:32.004878Z",
"updated_at": "2022-09-04T14:36:32.004898Z",
"structure_string": "Cu6 Pd4\n1.0\n3.017803 -0.000000 0.000000\n-0.000000 3.017803 0.000000\n0.000000 -0.000000 14.681028\nCu Pd\n6 4\ndirect\n0.500000 0.500000 0.089951 Cu\n0.500000 0.500000 0.295302 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.704698 Cu\n0.500000 0.500000 0.910049 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.191822 Pd\n0.000000 0.000000 0.397400 Pd\n0.000000 0.000000 0.602600 Pd\n0.000000 0.000000 0.808178 Pd\n",
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},
{
"id": "jvasp-49795",
"created_at": "2022-09-04T14:36:15.743461Z",
"updated_at": "2022-09-04T14:36:15.743487Z",
"structure_string": "Al4 O6\n1.0\n2.766472 4.887231 0.000000\n-2.766472 4.887231 0.000000\n0.000000 0.000000 4.968435\nAl O\n4 6\ndirect\n0.004455 0.330399 0.931403 Al\n0.669601 0.995545 0.931403 Al\n0.330399 0.004455 0.431403 Al\n0.995545 0.669601 0.431403 Al\n0.224666 0.775334 0.491003 O\n0.100316 0.339407 0.586967 O\n0.660593 0.899684 0.586967 O\n0.339407 0.100316 0.086966 O\n0.899684 0.660593 0.086966 O\n0.775334 0.224666 0.991004 O\n",
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"formula_full": "Al4 O6",
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},
{
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"created_at": "2022-09-04T14:37:03.655427Z",
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{
"id": "jvasp-7775",
"created_at": "2022-09-04T14:37:04.389354Z",
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"structure_string": "Ca3 N2\n1.0\n1.941068 -3.362028 0.000000\n1.941068 3.362028 -0.000000\n0.000000 -0.000000 6.579099\nCa N\n3 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.660508 Ca\n0.333333 0.666668 0.339492 Ca\n0.666668 0.333333 0.235761 N\n0.333333 0.666668 0.764240 N\n",
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}