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{
"id": "jvasp-45302",
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"updated_at": "2022-09-04T14:38:18.723110Z",
"structure_string": "Mg4 Se4 O12\n1.0\n5.049728 0.000000 0.000000\n-0.000000 5.926685 0.000000\n0.000000 0.000000 7.700414\nMg Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.982398 0.017647 0.250000 Se\n0.482398 0.482352 0.750000 Se\n0.517602 0.517647 0.250000 Se\n0.017602 0.982352 0.750000 Se\n0.823009 0.431083 0.750000 O\n0.323009 0.068917 0.250000 O\n0.858537 0.182052 0.077827 O\n0.358537 0.317947 0.922172 O\n0.641464 0.682052 0.422172 O\n0.358537 0.317947 0.577827 O\n0.141464 0.817947 0.922172 O\n0.641464 0.682052 0.077827 O\n0.176992 0.568916 0.250000 O\n0.858537 0.182052 0.422172 O\n0.141464 0.817947 0.577827 O\n0.676992 0.931083 0.750000 O\n",
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{
"id": "jvasp-101273",
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"updated_at": "2022-09-04T14:38:18.010549Z",
"structure_string": "Fe2 Pd4 Se4\n1.0\n4.718325 -0.000000 -1.973686\n-1.126615 5.180889 -2.693303\n-0.003627 0.026614 6.618024\nFe Pd Se\n2 4 4\ndirect\n0.750001 0.000000 -0.000000 Fe\n0.250000 0.000000 -0.000000 Fe\n0.888544 0.270514 0.777087 Pd\n0.111457 0.729486 0.222913 Pd\n0.611457 0.493426 0.222912 Pd\n0.388544 0.506573 0.777087 Pd\n0.643689 0.943256 0.287375 Se\n0.356313 0.056744 0.712625 Se\n0.143687 0.344118 0.287374 Se\n0.856314 0.655881 0.712625 Se\n",
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"formula_full": "Fe2 Pd4 Se4",
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{
"id": "jvasp-109656",
"created_at": "2022-09-04T14:38:18.011976Z",
"updated_at": "2022-09-04T14:38:18.012004Z",
"structure_string": "Yb1 Ga3 Cu1\n1.0\n3.863098 -0.010526 -4.711858\n-0.501893 3.830371 -4.711858\n0.009262 0.010526 6.093032\nYb Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.614455 0.614454 -0.000001 Ga\n0.385546 0.385545 -0.000000 Ga\n0.750000 0.250000 0.499999 Ga\n0.250000 0.750000 0.500000 Cu\n",
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"formula_full": "Yb1 Ga3 Cu1",
"formula_reduced": "YbGa3Cu",
"formula_anonymous": "ABC3",
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"spacegroup": 119
},
{
"id": "jvasp-109091",
"created_at": "2022-09-04T14:38:18.014773Z",
"updated_at": "2022-09-04T14:38:18.014792Z",
"structure_string": "Zn1 Ga1 Ni2\n1.0\n3.543290 -0.000000 2.045720\n1.181097 3.340646 2.045720\n-0.000000 -0.000000 4.091439\nZn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500001 0.500000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750001 0.750000 Ni\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-110023",
"created_at": "2022-09-04T14:38:18.021033Z",
"updated_at": "2022-09-04T14:38:18.021058Z",
"structure_string": "Pm1 Ga1 Pd2\n1.0\n4.128684 -0.000000 2.383697\n1.376228 3.892561 2.383697\n-0.000000 0.000000 4.767394\nPm Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750001 Pd\n",
"nsites": 4,
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{
"id": "jvasp-108026",
"created_at": "2022-09-04T14:38:18.024477Z",
"updated_at": "2022-09-04T14:38:18.024506Z",
"structure_string": "Tm1 Bi1 Pd1\n1.0\n4.080684 -0.000000 2.355984\n1.360228 3.847306 2.355984\n-0.000000 -0.000000 4.711968\nTm Bi Pd\n1 1 1\ndirect\n0.500000 0.500001 0.499999 Tm\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
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{
"id": "jvasp-107931",
"created_at": "2022-09-04T14:38:18.048191Z",
"updated_at": "2022-09-04T14:38:18.048219Z",
"structure_string": "Ho2 Al1 Ru1\n1.0\n4.257434 -0.000000 2.458031\n1.419145 4.013947 2.458031\n-0.000000 -0.000000 4.916061\nHo Al Ru\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Ho\n0.749998 0.750001 0.750000 Ho\n0.499999 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "jvasp-36945",
"created_at": "2022-09-04T14:38:18.074851Z",
"updated_at": "2022-09-04T14:38:18.074863Z",
"structure_string": "In2 Pb2 Cl6\n1.0\n0.000000 4.265888 0.000868\n10.737151 0.000000 0.000000\n0.000000 -2.131937 -6.680529\nIn Pb Cl\n2 2 6\ndirect\n0.749324 0.250000 0.499024 In\n0.250676 0.750000 0.500976 In\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.642130 0.944953 0.284231 Cl\n0.357870 0.444954 0.715769 Cl\n0.642130 0.555046 0.284231 Cl\n0.357870 0.055046 0.715769 Cl\n0.077953 0.250000 0.156189 Cl\n0.922047 0.750000 0.843811 Cl\n",
"nsites": 10,
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],
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{
"id": "jvasp-16815",
"created_at": "2022-09-04T14:38:18.082351Z",
"updated_at": "2022-09-04T14:38:18.082376Z",
"structure_string": "Li1 Pr1 Sn1\n1.0\n4.127997 -0.000000 2.383300\n1.375999 3.891912 2.383300\n0.000000 0.000000 4.766600\nLi Pr Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500001 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-16720",
"created_at": "2022-09-04T14:38:18.437546Z",
"updated_at": "2022-09-04T14:38:18.437567Z",
"structure_string": "K1 Co2 S2\n1.0\n3.596236 0.000000 -0.987004\n-0.270888 3.586020 -0.987004\n-0.067688 -0.072994 6.798477\nK Co S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250001 0.500001 Co\n0.250000 0.750001 0.500001 Co\n0.653022 0.653022 0.306044 S\n0.346978 0.346979 0.693958 S\n",
"nsites": 5,
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},
{
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"created_at": "2022-09-04T14:38:18.084073Z",
"updated_at": "2022-09-04T14:38:18.084091Z",
"structure_string": "Nb4 Pd6 Se16\n1.0\n3.606989 0.000000 0.000000\n0.000000 10.770274 0.000000\n0.000000 -0.000000 15.330467\nNb Pd Se\n4 6 16\ndirect\n0.500000 0.786288 0.883615 Nb\n0.500000 0.213712 0.116385 Nb\n0.500000 0.286288 0.616386 Nb\n0.500000 0.713712 0.383615 Nb\n0.000000 0.878787 0.283628 Pd\n0.000000 0.378787 0.216373 Pd\n0.000000 0.121213 0.716373 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.621212 0.783628 Pd\n0.500000 0.751372 0.716466 Se\n0.500000 0.455213 0.116291 Se\n0.500000 0.544786 0.883709 Se\n0.500000 0.748628 0.216466 Se\n0.500000 0.251372 0.783534 Se\n0.500000 0.248628 0.283534 Se\n0.000000 0.543304 0.342677 Se\n0.000000 0.268779 0.490336 Se\n0.000000 0.043304 0.157323 Se\n0.000000 0.956696 0.842677 Se\n0.000000 0.731220 0.509664 Se\n0.500000 0.044786 0.616292 Se\n0.000000 0.231220 0.990336 Se\n0.000000 0.768779 0.009664 Se\n0.000000 0.456696 0.657323 Se\n0.500000 0.955213 0.383709 Se\n",
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{
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"created_at": "2022-09-04T14:38:18.084796Z",
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"structure_string": "Li1 Y1 Se2\n1.0\n4.074547 -0.000000 0.000000\n0.000000 4.074547 0.000000\n0.000000 -0.000000 5.560074\nLi Y Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 -0.000000 Se\n",
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}