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{
"id": "mp-31436",
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"structure_string": "Tb4 Ge8 Pd4\n1.0\n-2.170559 4.409893 8.263226\n2.170559 -4.409893 8.263226\n2.170559 4.409893 -8.263226\nTb Ge Pd\n4 8 4\ndirect\n0.740017 0.500000 0.240017 Tb\n0.259983 0.500000 0.759983 Tb\n0.701821 0.701821 0.000000 Tb\n0.298179 0.298179 0.000000 Tb\n0.347552 0.697788 0.649764 Ge\n0.652448 0.302212 0.350236 Ge\n0.951977 0.302212 0.649764 Ge\n0.048023 0.697788 0.350236 Ge\n0.574024 0.074024 0.500000 Ge\n0.925395 0.925395 0.000000 Ge\n0.074605 0.074605 0.000000 Ge\n0.425976 0.925976 0.500000 Ge\n0.602098 0.852346 0.749752 Pd\n0.897406 0.147654 0.749752 Pd\n0.397902 0.147654 0.250248 Pd\n0.102594 0.852346 0.250248 Pd\n",
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{
"id": "mp-1203526",
"created_at": "2022-09-04T14:40:40.875695Z",
"structure_string": "Cd32 As16 Br24\n1.0\n12.928128 0.000000 0.000000\n0.000000 12.928128 0.000000\n0.000000 0.000000 12.928128\nCd As Br\n32 16 24\ndirect\n0.250838 0.527010 0.987529 Cd\n0.749162 0.027010 0.512471 Cd\n0.249162 0.472990 0.487529 Cd\n0.750838 0.972990 0.012471 Cd\n0.987529 0.250838 0.527010 Cd\n0.512471 0.749162 0.027010 Cd\n0.487529 0.249162 0.472990 Cd\n0.012471 0.750838 0.972990 Cd\n0.527010 0.987529 0.250838 Cd\n0.027010 0.512471 0.749162 Cd\n0.472990 0.487529 0.249162 Cd\n0.972990 0.012471 0.750838 Cd\n0.749162 0.472990 0.012471 Cd\n0.250838 0.972990 0.487529 Cd\n0.750838 0.527010 0.512471 Cd\n0.249162 0.027010 0.987529 Cd\n0.012471 0.749162 0.472990 Cd\n0.487529 0.250838 0.972990 Cd\n0.512471 0.750838 0.527010 Cd\n0.987529 0.249162 0.027010 Cd\n0.472990 0.012471 0.749162 Cd\n0.972990 0.487529 0.250838 Cd\n0.527010 0.512471 0.750838 Cd\n0.027010 0.987529 0.249162 Cd\n0.279907 0.720093 0.220093 Cd\n0.720093 0.220093 0.279907 Cd\n0.220093 0.279907 0.720093 Cd\n0.779907 0.779907 0.779907 Cd\n0.720093 0.279907 0.779907 Cd\n0.279907 0.779907 0.720093 Cd\n0.779907 0.720093 0.279907 Cd\n0.220093 0.220093 0.220093 Cd\n0.054456 0.945544 0.445544 As\n0.945544 0.445544 0.054456 As\n0.445544 0.054456 0.945544 As\n0.554456 0.554456 0.554456 As\n0.945544 0.054456 0.554456 As\n0.054456 0.554456 0.945544 As\n0.554456 0.945544 0.054456 As\n0.445544 0.445544 0.445544 As\n0.396016 0.603984 0.103984 As\n0.603984 0.103984 0.396016 As\n0.103984 0.396016 0.603984 As\n0.896016 0.896016 0.896016 As\n0.603984 0.396016 0.896016 As\n0.396016 0.896016 0.603984 As\n0.896016 0.603984 0.396016 As\n0.103984 0.103984 0.103984 As\n0.234505 0.685576 0.429706 Br\n0.765495 0.185576 0.070294 Br\n0.265495 0.314424 0.929706 Br\n0.734505 0.814424 0.570294 Br\n0.429706 0.234505 0.685576 Br\n0.070294 0.765495 0.185576 Br\n0.929706 0.265495 0.314424 Br\n0.570294 0.734505 0.814424 Br\n0.685576 0.429706 0.234505 Br\n0.185576 0.070294 0.765495 Br\n0.314424 0.929706 0.265495 Br\n0.814424 0.570294 0.734505 Br\n0.765495 0.314424 0.570294 Br\n0.234505 0.814424 0.929706 Br\n0.734505 0.685576 0.070294 Br\n0.265495 0.185576 0.429706 Br\n0.570294 0.765495 0.314424 Br\n0.929706 0.234505 0.814424 Br\n0.070294 0.734505 0.685576 Br\n0.429706 0.265495 0.185576 Br\n0.314424 0.570294 0.765495 Br\n0.814424 0.929706 0.234505 Br\n0.685576 0.070294 0.734505 Br\n0.185576 0.429706 0.265495 Br\n",
"nsites": 72,
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"volume": 2160.7619825300944,
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"formula_full": "Cd32 As16 Br24",
"formula_reduced": "Cd4As2Br3",
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"energy": -192.75318734,
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},
{
"id": "mp-1183955",
"created_at": "2022-09-04T14:40:40.880945Z",
"structure_string": "Cs4 H4 S4\n1.0\n-4.214856 4.214856 4.637994\n4.214856 -4.214856 4.637994\n4.214856 4.214856 -4.637994\nCs H S\n4 4 4\ndirect\n0.250000 0.750000 0.500000 Cs\n0.264618 0.264618 0.000000 Cs\n0.735382 0.735382 0.000000 Cs\n0.750000 0.250000 0.500000 Cs\n0.088489 0.246262 0.334751 H\n0.246262 0.911511 0.157772 H\n0.753738 0.088489 0.842228 H\n0.911511 0.753738 0.665249 H\n0.244330 0.749613 0.993943 S\n0.250387 0.244330 0.494717 S\n0.749613 0.755670 0.505283 S\n0.755670 0.250387 0.006057 S\n",
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],
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"density_atomic": 0.036410411652081066,
"volume": 329.57605958058787,
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"formula_full": "Cs4 H4 S4",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:05.194000Z",
"spacegroup": 87
},
{
"id": "mp-1095544",
"created_at": "2022-09-04T14:40:40.888676Z",
"structure_string": "Sc4 Ga4 Pd4\n1.0\n4.297808 0.000000 0.000000\n0.000000 6.467655 0.000000\n0.000000 0.000000 7.661847\nSc Ga Pd\n4 4 4\ndirect\n0.250000 0.017610 0.298962 Sc\n0.250000 0.517610 0.201038 Sc\n0.750000 0.982390 0.701038 Sc\n0.750000 0.482390 0.798962 Sc\n0.250000 0.274720 0.609060 Ga\n0.250000 0.774720 0.890940 Ga\n0.750000 0.725280 0.390940 Ga\n0.750000 0.225280 0.109060 Ga\n0.250000 0.174723 0.933656 Pd\n0.250000 0.674723 0.566344 Pd\n0.750000 0.825277 0.066344 Pd\n0.750000 0.325277 0.433656 Pd\n",
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"elements": [
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"density": 6.895541292427611,
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"formula_full": "Sc4 Ga4 Pd4",
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{
"id": "mp-1191215",
"created_at": "2022-09-04T14:40:40.892105Z",
"structure_string": "La6 In2 Fe2 S14\n1.0\n5.030559 -8.713184 0.000000\n5.030559 8.713184 0.000000\n0.000000 0.000000 6.392919\nLa In Fe S\n6 2 2 14\ndirect\n0.151619 0.370833 0.179995 La\n0.219214 0.848381 0.179995 La\n0.629167 0.780786 0.179995 La\n0.848381 0.629167 0.679995 La\n0.780786 0.151619 0.679995 La\n0.370833 0.219214 0.679995 La\n0.666667 0.333333 0.115511 In\n0.333333 0.666667 0.615511 In\n0.000000 0.000000 0.031240 Fe\n0.000000 0.000000 0.531240 Fe\n0.881946 0.085917 0.283183 S\n0.203971 0.118054 0.283183 S\n0.914083 0.796029 0.283183 S\n0.118054 0.914083 0.783183 S\n0.796029 0.881946 0.783183 S\n0.085917 0.203971 0.783183 S\n0.434523 0.513949 0.447457 S\n0.079426 0.565477 0.447457 S\n0.486051 0.920574 0.447457 S\n0.565477 0.486051 0.947457 S\n0.920574 0.434523 0.947457 S\n0.513949 0.079426 0.947457 S\n0.666667 0.333333 0.492464 S\n0.333333 0.666667 0.992464 S\n",
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{
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"created_at": "2022-09-04T14:40:40.894491Z",
"structure_string": "Li8 Ti8 Mn2 Fe8 O36\n1.0\n2.940898 0.000000 0.000000\n0.000000 9.199415 0.000000\n0.000000 0.000000 25.446720\nLi Ti Mn Fe O\n8 8 2 8 36\ndirect\n0.000000 0.693817 0.489374 Li\n0.000000 0.695999 0.690894 Li\n0.000000 0.804001 0.190894 Li\n0.000000 0.806183 0.989374 Li\n0.000000 0.193817 0.010626 Li\n0.000000 0.195999 0.809106 Li\n0.000000 0.304001 0.309106 Li\n0.000000 0.306183 0.510626 Li\n0.000000 0.505610 0.599827 Ti\n0.500000 0.652544 0.309648 Ti\n0.500000 0.847456 0.809648 Ti\n0.000000 0.994390 0.099827 Ti\n0.000000 0.005610 0.900173 Ti\n0.500000 0.152544 0.190352 Ti\n0.500000 0.347456 0.690352 Ti\n0.000000 0.494390 0.400173 Ti\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.506205 0.805411 Fe\n0.500000 0.643965 0.087731 Fe\n0.500000 0.856035 0.587731 Fe\n0.000000 0.993795 0.305411 Fe\n0.000000 0.006205 0.694589 Fe\n0.500000 0.143965 0.412269 Fe\n0.500000 0.356035 0.912269 Fe\n0.000000 0.493795 0.194589 Fe\n0.000000 0.497320 0.924361 O\n0.000000 0.502680 0.075639 O\n0.500000 0.558957 0.442933 O\n0.500000 0.549320 0.656073 O\n0.500000 0.620940 0.165922 O\n0.000000 0.596445 0.261253 O\n0.500000 0.641126 0.004017 O\n0.500000 0.645633 0.788809 O\n0.000000 0.683571 0.357639 O\n0.000000 0.702509 0.580981 O\n0.000000 0.797491 0.080981 O\n0.000000 0.816429 0.857639 O\n0.500000 0.854367 0.288809 O\n0.500000 0.858874 0.504017 O\n0.000000 0.903555 0.761253 O\n0.500000 0.879060 0.665922 O\n0.500000 0.950680 0.156073 O\n0.500000 0.941043 0.942933 O\n0.000000 0.997320 0.575639 O\n0.000000 0.002680 0.424361 O\n0.500000 0.058957 0.057067 O\n0.500000 0.049320 0.843927 O\n0.500000 0.120940 0.334078 O\n0.000000 0.096445 0.238747 O\n0.500000 0.141126 0.495983 O\n0.500000 0.145633 0.711191 O\n0.000000 0.183571 0.142361 O\n0.000000 0.202509 0.919019 O\n0.000000 0.297491 0.419019 O\n0.000000 0.316429 0.642361 O\n0.500000 0.354367 0.211191 O\n0.500000 0.358874 0.995983 O\n0.000000 0.403555 0.738747 O\n0.500000 0.379060 0.834078 O\n0.500000 0.450680 0.343927 O\n0.500000 0.441043 0.557067 O\n",
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{
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"structure_string": "Co10 B4 P2\n1.0\n5.367044 0.000000 0.000000\n0.000000 5.367044 0.000000\n-2.683522 -2.683522 5.127852\nCo B P\n10 4 2\ndirect\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.030501 0.530501 0.720323 Co\n0.689821 0.189821 0.720323 Co\n0.189821 0.030501 0.720323 Co\n0.530501 0.689821 0.720323 Co\n0.969499 0.469499 0.279677 Co\n0.310179 0.810179 0.279677 Co\n0.810179 0.969499 0.279677 Co\n0.469499 0.310179 0.279677 Co\n0.377968 0.877968 0.000000 B\n0.622032 0.122032 0.000000 B\n0.122032 0.377968 0.000000 B\n0.877968 0.622032 0.000000 B\n0.250000 0.250000 0.500000 P\n0.750000 0.750000 0.500000 P\n",
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{
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{
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{
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{
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}