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{
"id": "jvasp-112948",
"created_at": "2022-09-04T14:38:45.515261Z",
"updated_at": "2022-09-04T14:38:45.515291Z",
"structure_string": "Y2 Ga2 Fe15\n1.0\n6.282469 0.011647 0.849421\n0.743852 6.238288 0.849421\n0.013093 0.011647 6.339618\nY Ga Fe\n2 2 15\ndirect\n0.653318 0.653319 0.653318 Y\n0.346682 0.346682 0.346682 Y\n0.897603 0.897605 0.897604 Ga\n0.102396 0.102396 0.102396 Ga\n0.658876 0.658877 0.159742 Fe\n0.840258 0.341125 0.341124 Fe\n0.341123 0.840259 0.341124 Fe\n0.341123 0.341125 0.840258 Fe\n0.697218 0.302783 -0.000000 Fe\n-0.000000 0.697218 0.302782 Fe\n-0.000001 0.302783 0.697218 Fe\n0.658876 0.159743 0.658876 Fe\n0.697218 0.000001 0.302782 Fe\n0.302782 0.697218 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.302782 0.000001 0.697218 Fe\n0.159741 0.658877 0.658876 Fe\n",
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{
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"structure_string": "Na1 Be2 Ir1\n1.0\n-1.770433 1.770433 3.998957\n1.770433 -1.770433 3.998957\n1.770433 1.770433 -3.998957\nNa Be Ir\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Ir\n",
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{
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"updated_at": "2022-09-04T14:36:13.539980Z",
"structure_string": "Bi1 B1 As1\n1.0\n-0.000000 3.164054 3.164054\n3.164054 -0.000000 3.164054\n3.164054 3.164054 -0.000000\nBi B As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.749999 0.749999 0.749999 B\n0.499999 0.499999 0.499999 As\n",
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},
{
"id": "jvasp-12811",
"created_at": "2022-09-04T14:38:29.762566Z",
"updated_at": "2022-09-04T14:38:29.762591Z",
"structure_string": "Tl2 Cu4 O4\n1.0\n4.966014 0.000000 -2.536790\n-1.578229 5.138602 -3.089538\n0.010136 -0.040318 6.148968\nTl Cu O\n2 4 4\ndirect\n0.893718 0.643718 0.787437 Tl\n0.106282 0.356281 0.212562 Tl\n0.000000 -0.000000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.499999 0.500000 -0.000001 Cu\n0.298841 0.262715 0.597683 O\n0.701158 0.737285 0.402317 O\n0.701158 0.165032 0.402317 O\n0.298841 0.834967 0.597682 O\n",
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"elements": [
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"density": 7.7249253514685,
"density_atomic": 0.06399436416943091,
"volume": 156.2637605637285,
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"formula_full": "Tl2 Cu4 O4",
"formula_reduced": "Tl(CuO)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 74
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{
"id": "jvasp-115292",
"created_at": "2022-09-04T14:38:41.971322Z",
"updated_at": "2022-09-04T14:38:41.971338Z",
"structure_string": "V1 Pb1 O2\n1.0\n2.922027 0.000000 0.000000\n0.000000 2.922027 0.000000\n-0.000000 -0.000000 7.304295\nV Pb O\n1 1 2\ndirect\n0.500000 0.500000 0.579411 V\n0.000000 0.000000 0.103580 Pb\n0.000000 0.000000 0.523509 O\n0.500000 0.500000 0.803500 O\n",
"nsites": 4,
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"formula_full": "V1 Pb1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-26976",
"created_at": "2022-09-04T14:38:36.177094Z",
"updated_at": "2022-09-04T14:38:36.177124Z",
"structure_string": "Pb6 Se2 O10\n1.0\n5.819136 0.000000 0.000000\n0.000000 7.593266 -0.088778\n0.000000 0.049148 7.593625\nPb Se O\n6 2 10\ndirect\n0.187422 0.882319 0.117682 Pb\n0.687422 0.117682 0.882319 Pb\n0.188627 0.360284 0.132373 Pb\n0.688627 0.639717 0.867627 Pb\n0.188627 0.867628 0.639717 Pb\n0.688627 0.132373 0.360284 Pb\n0.137730 0.373947 0.626053 Se\n0.637731 0.626053 0.373947 Se\n0.787425 0.440100 0.303389 O\n0.287424 0.559901 0.696611 O\n0.722339 0.779166 0.220834 O\n0.222339 0.220834 0.779166 O\n0.951705 0.131062 0.136336 O\n0.951705 0.863664 0.868938 O\n0.451705 0.868938 0.863664 O\n0.287424 0.303389 0.440100 O\n0.451705 0.136336 0.131062 O\n0.787425 0.696611 0.559901 O\n",
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"volume": 335.55918437208226,
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"formula_full": "Pb6 Se2 O10",
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{
"id": "jvasp-35765",
"created_at": "2022-09-04T14:37:34.324907Z",
"updated_at": "2022-09-04T14:37:34.324936Z",
"structure_string": "Sc1 Ag2\n1.0\n3.552923 0.000000 0.000000\n0.000000 3.552923 -0.000000\n-1.776461 -1.776461 4.438956\nSc Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.665975 0.665975 0.331950 Ag\n0.334026 0.334026 0.668051 Ag\n",
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{
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"created_at": "2022-09-04T14:37:56.179754Z",
"updated_at": "2022-09-04T14:37:56.179778Z",
"structure_string": "Nd6 Ag2\n1.0\n3.535626 -6.123885 -0.000000\n3.535626 6.123885 0.000000\n0.000000 0.000000 5.366585\nNd Ag\n6 2\ndirect\n0.175531 0.824470 0.749999 Nd\n0.648940 0.824471 0.749999 Nd\n0.175530 0.351061 0.749999 Nd\n0.824470 0.175531 0.250000 Nd\n0.351061 0.175530 0.250000 Nd\n0.824471 0.648940 0.250000 Nd\n0.333334 0.666667 0.250000 Ag\n0.666667 0.333334 0.749999 Ag\n",
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"formula_full": "Nd6 Ag2",
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"spacegroup": 194
},
{
"id": "jvasp-79756",
"created_at": "2022-09-04T14:37:17.835464Z",
"updated_at": "2022-09-04T14:37:17.835483Z",
"structure_string": "Ce1 Cu1 N2\n1.0\n-0.000000 0.000000 3.247067\n3.916102 0.000000 -0.000000\n0.000000 3.916102 0.000000\nCe Cu N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
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},
{
"id": "jvasp-29312",
"created_at": "2022-09-04T14:36:59.001274Z",
"updated_at": "2022-09-04T14:36:59.001301Z",
"structure_string": "Pb6 Se2 O10\n1.0\n5.819208 0.000000 0.000000\n0.000000 7.593062 -0.088566\n0.000000 0.049356 7.593417\nPb Se O\n6 2 10\ndirect\n0.187437 0.882313 0.117686 Pb\n0.687437 0.117687 0.882314 Pb\n0.188634 0.360280 0.132358 Pb\n0.688634 0.639720 0.867642 Pb\n0.188634 0.867642 0.639719 Pb\n0.688634 0.132358 0.360281 Pb\n0.137726 0.373968 0.626033 Se\n0.637727 0.626033 0.373967 Se\n0.787447 0.440091 0.303387 O\n0.287447 0.559909 0.696613 O\n0.722271 0.779165 0.220835 O\n0.222271 0.220836 0.779165 O\n0.951702 0.131056 0.136327 O\n0.951702 0.863673 0.868944 O\n0.451702 0.868944 0.863673 O\n0.287447 0.303387 0.440091 O\n0.451702 0.136327 0.131056 O\n0.787447 0.696613 0.559908 O\n",
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"volume": 335.54517766494655,
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"formula_full": "Pb6 Se2 O10",
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{
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"created_at": "2022-09-04T14:36:58.121951Z",
"updated_at": "2022-09-04T14:36:58.121983Z",
"structure_string": "Nd1 Mn1 Fe1 Ge2\n1.0\n3.745922 -0.058048 -4.747929\n-0.496329 3.713349 -4.747929\n0.051605 0.058048 6.047487\nNd Mn Fe Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500001 Mn\n0.750000 0.250000 0.500000 Fe\n0.626976 0.626976 -0.000001 Ge\n0.373023 0.373023 -0.000000 Ge\n",
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{
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"structure_string": "Dy4 Si10 Rh6\n1.0\n5.419136 0.000000 2.020973\n2.265392 7.527620 2.201519\n0.042063 -0.055833 8.163264\nDy Si Rh\n4 10 6\ndirect\n0.867994 0.863291 0.400720 Dy\n0.632006 0.599279 0.136709 Dy\n0.367994 0.400721 0.863290 Dy\n0.132005 0.136710 0.599279 Dy\n0.250000 0.500000 0.500000 Si\n0.750000 0.500000 0.499999 Si\n0.104690 0.737616 0.053004 Si\n0.472340 0.777660 0.777660 Si\n0.027660 0.222340 0.222340 Si\n0.604691 0.053004 0.737615 Si\n0.395309 0.946997 0.262384 Si\n0.895309 0.262384 0.946996 Si\n0.972340 0.777660 0.777659 Si\n0.527660 0.222340 0.222340 Si\n0.750001 -0.000000 -0.000000 Rh\n0.860030 0.530343 0.749597 Rh\n0.360029 0.749598 0.530343 Rh\n0.639971 0.250402 0.469657 Rh\n0.250000 -0.000000 -0.000000 Rh\n0.139970 0.469657 0.250402 Rh\n",
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