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{
"id": "jvasp-68862",
"created_at": "2022-09-04T14:36:09.005118Z",
"updated_at": "2022-09-04T14:36:09.005143Z",
"structure_string": "Be2 Nb1 Sn2\n1.0\n-2.057577 2.057577 5.195759\n2.057577 -2.057577 5.195759\n2.057577 2.057577 -5.195759\nBe Nb Sn\n2 1 2\ndirect\n0.593541 0.593541 0.000000 Be\n0.406459 0.406459 0.000000 Be\n0.000000 0.000000 0.000000 Nb\n0.750001 0.250000 0.500001 Sn\n0.250000 0.750001 0.500001 Sn\n",
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{
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"structure_string": "Fe1 N2 Cl2\n1.0\n0.000000 0.000000 -3.417866\n-3.510811 -3.306941 0.000000\n-3.510811 3.306941 0.000000\nFe N Cl\n1 2 2\ndirect\n0.000000 0.500000 0.500000 Fe\n0.000000 0.743448 0.743448 N\n0.000000 0.256551 0.256551 N\n0.500001 0.739183 0.260817 Cl\n0.500001 0.260817 0.739183 Cl\n",
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"formula_full": "Fe1 N2 Cl2",
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{
"id": "jvasp-92771",
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"structure_string": "Ce1 Si2 Ir2\n1.0\n4.213371 -0.000000 0.000000\n-0.000000 4.213371 0.000000\n-2.106686 -2.106686 5.021333\nCe Si Ir\n1 2 2\ndirect\n0.364798 0.364798 0.729598 Ce\n0.614801 0.114801 0.229600 Si\n0.114801 0.614801 0.229600 Si\n0.995858 0.995858 0.991719 Ir\n0.733739 0.733739 0.467480 Ir\n",
"nsites": 5,
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"elements": [
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"density": 10.817781413944445,
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"volume": 89.14118989795763,
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"formula_full": "Ce1 Si2 Ir2",
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{
"id": "jvasp-18156",
"created_at": "2022-09-04T14:37:27.328015Z",
"updated_at": "2022-09-04T14:37:27.328043Z",
"structure_string": "Np1 Co2 Ge2\n1.0\n3.752652 0.000000 -1.386650\n-0.512385 3.717508 -1.386650\n-0.056526 -0.064851 5.618198\nNp Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750001 0.500001 Co\n0.749999 0.250000 0.500000 Co\n0.626892 0.626893 0.253784 Ge\n0.373108 0.373109 0.746216 Ge\n",
"nsites": 5,
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],
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"density": 10.688456664296346,
"density_atomic": 0.06434855059315399,
"volume": 77.7018278408892,
"volume_molar": 9.358626891342432,
"formula_full": "Np1 Co2 Ge2",
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"spacegroup": 139
},
{
"id": "jvasp-17961",
"created_at": "2022-09-04T14:37:27.101037Z",
"updated_at": "2022-09-04T14:37:27.101066Z",
"structure_string": "Dy1 Ge2 Ru2\n1.0\n3.962640 0.000000 -1.564539\n-0.617715 3.914198 -1.564539\n-0.010803 -0.012641 5.773164\nDy Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.629478 0.629479 0.258956 Ge\n0.370522 0.370522 0.741044 Ge\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750001 0.500000 Ru\n",
"nsites": 5,
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"elements": [
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"density": 9.472633076181621,
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"volume": 89.38824865598934,
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"formula_full": "Dy1 Ge2 Ru2",
"formula_reduced": "Dy(GeRu)2",
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"spacegroup": 139
},
{
"id": "jvasp-36669",
"created_at": "2022-09-04T14:37:18.709484Z",
"updated_at": "2022-09-04T14:37:18.709509Z",
"structure_string": "Ca1 B2 H2\n1.0\n1.736838 -3.008291 -0.000000\n1.736838 3.008291 -0.000000\n-0.000000 0.000000 3.989661\nCa B H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333334 0.461561 B\n0.333334 0.666667 0.538439 B\n0.666667 0.333334 0.152237 H\n0.333334 0.666667 0.847763 H\n",
"nsites": 5,
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"volume": 41.69127221661087,
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"formula_full": "Ca1 B2 H2",
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{
"id": "jvasp-50865",
"created_at": "2022-09-04T14:37:18.862100Z",
"updated_at": "2022-09-04T14:37:18.862126Z",
"structure_string": "Li2 Fe1 S2\n1.0\n-3.868844 -0.000360 0.001190\n1.934136 3.351185 -0.020875\n-0.001931 -0.038724 -6.165148\nLi Fe S\n2 1 2\ndirect\n0.666668 0.333337 0.652839 Li\n0.000030 0.000058 0.968372 Li\n0.333315 0.666636 0.374058 Fe\n0.666601 0.333211 0.251762 S\n0.333379 0.666760 0.752971 S\n",
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"volume": 79.9312039748627,
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"formula_full": "Li2 Fe1 S2",
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"spacegroup": 156
},
{
"id": "jvasp-50909",
"created_at": "2022-09-04T14:37:14.183531Z",
"updated_at": "2022-09-04T14:37:14.183559Z",
"structure_string": "Li4 Cu2 S4\n1.0\n5.530687 0.016785 0.005750\n-0.016471 5.530597 0.005296\n-0.010353 -0.009722 5.802619\nLi Cu S\n4 2 4\ndirect\n0.497726 0.497308 0.237402 Li\n0.997367 0.997692 0.237402 Li\n0.496835 0.497277 0.737451 Li\n0.997338 0.996755 0.737450 Li\n0.497387 -0.002672 0.737261 Cu\n0.497394 -0.002667 0.237482 Cu\n0.730630 0.230572 0.487720 S\n0.730450 0.764113 0.987409 S\n0.264170 0.230390 0.987393 S\n0.264098 0.764041 0.487084 S\n",
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"elements": [
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"density": 2.648700985466305,
"density_atomic": 0.056340334601863114,
"volume": 177.49273359248582,
"volume_molar": 10.688862255711301,
"formula_full": "Li4 Cu2 S4",
"formula_reduced": "Li2CuS2",
"formula_anonymous": "AB2C2",
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"spacegroup": 132
},
{
"id": "jvasp-17652",
"created_at": "2022-09-04T14:37:32.172286Z",
"updated_at": "2022-09-04T14:37:32.172296Z",
"structure_string": "Tb1 Fe2 Ge2\n1.0\n3.790227 0.000000 -1.352338\n-0.482508 3.759390 -1.352338\n-0.094221 -0.107086 5.723575\nTb Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500000 Fe\n0.750000 0.249999 0.500000 Fe\n0.631997 0.631996 0.263993 Ge\n0.368003 0.368003 0.736007 Ge\n",
"nsites": 5,
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"elements": [
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"density": 8.583585793276121,
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"volume": 80.4571064965954,
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"formula_full": "Tb1 Fe2 Ge2",
"formula_reduced": "Tb(FeGe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-56451",
"created_at": "2022-09-04T14:37:32.205920Z",
"updated_at": "2022-09-04T14:37:32.205945Z",
"structure_string": "Tm1 Si2 Os2\n1.0\n3.898587 -0.000000 -1.535939\n-0.605119 3.851338 -1.535939\n-0.038440 -0.044951 5.618179\nTm Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.372754 0.372754 0.745510 Si\n0.627246 0.627246 0.254491 Si\n0.750000 0.250000 0.500000 Os\n0.250000 0.750000 0.500000 Os\n",
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"elements": [
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],
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"formula_full": "Tm1 Si2 Os2",
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},
{
"id": "jvasp-56260",
"created_at": "2022-09-04T14:37:31.183113Z",
"updated_at": "2022-09-04T14:37:31.183133Z",
"structure_string": "Np1 Fe2 Si2\n1.0\n3.700492 -0.000000 -1.339891\n-0.485153 3.668550 -1.339891\n-0.140647 -0.160472 5.391490\nNp Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.371024 0.371024 0.742049 Si\n0.628976 0.628976 0.257951 Si\n",
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{
"id": "jvasp-56045",
"created_at": "2022-09-04T14:37:14.396156Z",
"updated_at": "2022-09-04T14:37:14.396190Z",
"structure_string": "Tm4 Ni2 As4\n1.0\n2.035054 -3.524818 -0.000000\n2.035054 3.524818 0.000000\n-0.000000 -0.000000 13.907065\nTm Ni As\n4 2 4\ndirect\n0.333332 0.666666 0.880297 Tm\n0.666666 0.333332 0.380297 Tm\n0.666666 0.333332 0.114663 Tm\n0.333332 0.666666 0.614663 Tm\n0.000000 0.000000 0.740828 Ni\n0.000000 0.000000 0.240828 Ni\n0.000000 0.000000 0.497930 As\n0.000000 0.000000 -0.002071 As\n0.666666 0.333332 0.749953 As\n0.333332 0.666666 0.249952 As\n",
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