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{
"id": "jvasp-12015",
"created_at": "2022-09-04T14:35:57.538272Z",
"updated_at": "2022-09-04T14:35:57.538288Z",
"structure_string": "Pd2 Se2 O6\n1.0\n3.930994 0.080999 0.000043\n-0.563576 5.957511 0.000292\n0.000049 0.000330 6.527084\nPd Se O\n2 2 6\ndirect\n-0.000000 -0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.454412 0.661074 0.750010 Se\n0.545586 0.338926 0.249989 Se\n0.282026 0.294878 0.041299 O\n0.286583 0.942548 0.750004 O\n0.717972 0.705122 0.958699 O\n0.717937 0.705138 0.541292 O\n0.713415 0.057452 0.249995 O\n0.282062 0.294862 0.458706 O\n",
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{
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"structure_string": "Tl4 Fe4 Br12\n1.0\n3.919334 0.000000 0.000000\n-0.000000 9.256743 0.000000\n0.000000 0.000000 15.148554\nTl Fe Br\n4 4 12\ndirect\n0.749999 0.559957 0.172078 Tl\n0.250000 0.440043 0.827922 Tl\n0.749999 0.059957 0.327922 Tl\n0.250000 0.940043 0.672078 Tl\n0.250000 0.155732 0.054699 Fe\n0.749999 0.844268 0.945301 Fe\n0.749999 0.344268 0.554699 Fe\n0.250000 0.655732 0.445301 Fe\n0.749999 0.725838 0.794603 Br\n0.749999 0.322679 0.997968 Br\n0.749999 0.225838 0.705396 Br\n0.250000 0.774162 0.294603 Br\n0.749999 0.973611 0.101248 Br\n0.250000 0.026388 0.898751 Br\n0.749999 0.473611 0.398752 Br\n0.250000 0.526388 0.601248 Br\n0.250000 0.177321 0.497968 Br\n0.749999 0.822679 0.502031 Br\n0.250000 0.677321 0.002031 Br\n0.250000 0.274162 0.205396 Br\n",
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],
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{
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"created_at": "2022-09-04T14:35:59.573821Z",
"updated_at": "2022-09-04T14:35:59.573850Z",
"structure_string": "U1 Ga3 Ni1\n1.0\n4.143435 -0.000000 0.000000\n-0.000000 4.143435 0.000000\n-2.071718 -2.071718 5.086571\nU Ga Ni\n1 3 1\ndirect\n0.993498 0.993498 0.986999 U\n0.409692 0.409692 0.819387 Ga\n0.746220 0.246221 0.492442 Ga\n0.246221 0.746220 0.492442 Ga\n0.634364 0.634364 0.268730 Ni\n",
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"volume": 87.32652356426351,
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"formula_full": "U1 Ga3 Ni1",
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"spacegroup": 107
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{
"id": "jvasp-93231",
"created_at": "2022-09-04T14:35:54.120250Z",
"updated_at": "2022-09-04T14:35:54.120289Z",
"structure_string": "Sm1 Cu1 O3\n1.0\n3.802535 -0.000000 0.000000\n-0.000000 3.802535 0.000000\n-0.000000 -0.000000 3.802535\nSm Cu O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Sm\n0.000000 0.000000 0.000000 Cu\n0.499999 0.000000 0.000000 O\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n",
"nsites": 5,
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{
"id": "jvasp-37208",
"created_at": "2022-09-04T14:35:54.135265Z",
"updated_at": "2022-09-04T14:35:54.135294Z",
"structure_string": "Si1 Pd1 O3\n1.0\n3.592310 -0.000000 0.000000\n0.000000 3.592310 0.000000\n-0.000000 -0.000000 3.592310\nSi Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-52785",
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"updated_at": "2022-09-04T14:35:59.591235Z",
"structure_string": "Mn2 Sn2 O6\n1.0\n4.773086 0.004984 3.081063\n1.680897 4.467321 3.081063\n0.007193 0.004984 5.681130\nMn Sn O\n2 2 6\ndirect\n0.365750 0.365749 0.365749 Mn\n0.865751 0.865748 0.865749 Mn\n0.146967 0.146966 0.146966 Sn\n0.646968 0.646965 0.646966 Sn\n0.036590 0.763590 0.437104 O\n0.437104 0.036588 0.763591 O\n0.763592 0.437103 0.036589 O\n0.263591 0.536588 0.937104 O\n0.536591 0.937103 0.263590 O\n0.937105 0.263589 0.536589 O\n",
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{
"id": "jvasp-38515",
"created_at": "2022-09-04T14:35:59.594191Z",
"updated_at": "2022-09-04T14:35:59.594216Z",
"structure_string": "K1 Ag1 O3\n1.0\n4.128437 -0.000000 0.000000\n0.000000 4.128437 0.000000\n-0.000000 0.000000 4.128437\nK Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-87984",
"created_at": "2022-09-04T14:35:59.335119Z",
"updated_at": "2022-09-04T14:35:59.335144Z",
"structure_string": "Sr4 Sn4 O12\n1.0\n5.792253 0.000000 0.000000\n-0.000000 5.767288 0.000000\n0.000000 0.000000 8.159177\nSr Sn O\n4 4 12\ndirect\n0.532449 0.506860 0.250000 Sr\n0.032449 0.993141 0.250000 Sr\n0.967550 0.006859 0.750000 Sr\n0.467550 0.493141 0.750000 Sr\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.482516 0.073830 0.250000 O\n0.982516 0.426170 0.250000 O\n0.713865 0.286954 0.538921 O\n0.713865 0.286954 0.961080 O\n0.213865 0.213046 0.538921 O\n0.786134 0.786954 0.038921 O\n0.286135 0.713046 0.461080 O\n0.286135 0.713046 0.038921 O\n0.786134 0.786954 0.461080 O\n0.213865 0.213046 0.961080 O\n0.517483 0.926170 0.750000 O\n0.017484 0.573830 0.750000 O\n",
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"density": 6.197807588787318,
"density_atomic": 0.07337776486439929,
"volume": 272.56213155251623,
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{
"id": "jvasp-95486",
"created_at": "2022-09-04T14:35:53.855932Z",
"updated_at": "2022-09-04T14:35:53.855961Z",
"structure_string": "Sr8 Si8 O24\n1.0\n6.114413 0.000000 0.000000\n0.000000 7.462506 -0.832849\n0.000000 -0.025375 12.165794\nSr Si O\n8 8 24\ndirect\n0.408112 0.584198 0.840683 Sr\n0.091888 0.084198 0.340683 Sr\n0.598893 0.910390 0.125606 Sr\n0.901107 0.410389 0.625606 Sr\n0.908112 0.915801 0.659317 Sr\n0.591887 0.415802 0.159317 Sr\n0.401107 0.089610 0.874394 Sr\n0.098893 0.589611 0.374394 Sr\n0.850757 0.331619 0.881390 Si\n0.088145 0.248527 0.092302 Si\n0.588144 0.251473 0.407698 Si\n0.411854 0.748527 0.592302 Si\n0.350757 0.168380 0.618610 Si\n0.911855 0.751472 0.907697 Si\n0.149243 0.668381 0.118610 Si\n0.649242 0.831620 0.381390 Si\n0.616941 0.657030 0.648037 O\n0.129105 0.148315 0.546671 O\n0.370895 0.648316 0.046671 O\n0.439388 0.773619 0.457551 O\n0.883059 0.157030 0.148037 O\n0.676092 0.701240 0.267830 O\n0.587199 0.037203 0.343732 O\n0.825673 0.344656 0.399307 O\n0.116941 0.842970 0.851962 O\n0.176092 0.798761 0.232170 O\n0.870894 0.851684 0.453329 O\n0.412800 0.962797 0.656267 O\n0.087199 0.462797 0.156267 O\n0.823907 0.201239 0.767829 O\n0.674326 0.844656 0.899307 O\n0.174326 0.655344 0.600692 O\n0.939388 0.726382 0.042449 O\n0.912800 0.537203 0.843732 O\n0.323908 0.298760 0.732170 O\n0.325673 0.155344 0.100693 O\n0.060612 0.273618 0.957551 O\n0.560612 0.226381 0.542449 O\n0.629105 0.351684 0.953329 O\n0.383059 0.342970 0.351963 O\n",
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{
"id": "jvasp-86560",
"created_at": "2022-09-04T14:35:50.700484Z",
"updated_at": "2022-09-04T14:35:50.700514Z",
"structure_string": "Mn2 Cl2 O6\n1.0\n4.900191 0.000001 -0.000040\n-0.000038 5.715135 -2.132731\n0.000008 -0.125351 6.098814\nMn Cl O\n2 2 6\ndirect\n0.407540 0.672668 0.327334 Mn\n0.907542 0.327329 0.672662 Mn\n0.282758 0.870928 0.129118 Cl\n0.782751 0.129083 0.870879 Cl\n0.291572 0.793736 0.587943 O\n0.291565 0.412060 0.206236 O\n0.791558 0.206259 0.412057 O\n0.732370 0.670122 0.329908 O\n0.791571 0.587937 0.793756 O\n0.232373 0.329884 0.670106 O\n",
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{
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"created_at": "2022-09-04T14:35:53.354219Z",
"updated_at": "2022-09-04T14:35:53.354236Z",
"structure_string": "Rb1 Mo1 O3\n1.0\n3.989033 -0.000000 0.000000\n0.000000 3.989033 0.000000\n-0.000000 -0.000000 3.989033\nRb Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
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