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{
"id": "jvasp-100460",
"created_at": "2022-09-04T14:36:31.496975Z",
"updated_at": "2022-09-04T14:36:31.497003Z",
"structure_string": "Sr2 Fe1 W1 O6\n1.0\n4.774486 0.000000 2.756550\n1.591495 4.501428 2.756550\n0.000000 0.000000 5.513101\nSr Fe W O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 W\n0.249815 0.750184 0.249816 O\n0.750184 0.249816 0.750184 O\n0.249816 0.249816 0.750184 O\n0.750184 0.750184 0.249816 O\n0.249815 0.750184 0.750184 O\n0.750184 0.249816 0.249816 O\n",
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{
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"structure_string": "Sr2 Ga1 Sb1 O6\n1.0\n4.825738 -0.000000 -2.785327\n-1.607640 4.550082 -2.785327\n0.040996 0.057964 5.644123\nSr Ga Sb O\n2 1 1 6\ndirect\n0.250000 0.749999 0.499999 Sr\n0.750001 0.249999 0.499999 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000001 Sb\n0.792878 0.708494 -0.000001 O\n0.291505 0.792877 -0.000001 O\n0.708495 0.207122 -0.000000 O\n0.207123 0.291505 -0.000000 O\n0.251661 0.251660 0.503321 O\n0.748340 0.748338 0.496677 O\n",
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"elements": [
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"formula_full": "Sr2 Ga1 Sb1 O6",
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"spacegroup": 87
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{
"id": "jvasp-9758",
"created_at": "2022-09-04T14:38:09.921045Z",
"updated_at": "2022-09-04T14:38:09.921068Z",
"structure_string": "Sr2 Ga1 Sb1 O6\n1.0\n4.867641 -0.000000 2.810333\n1.622547 4.589256 2.810333\n0.000000 0.000000 5.620668\nSr Ga Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.749999 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Sb\n0.249745 0.750256 0.750254 O\n0.249745 0.750256 0.249744 O\n0.750255 0.249745 0.750254 O\n0.249745 0.249745 0.750255 O\n0.750255 0.249745 0.249744 O\n0.750255 0.750256 0.249744 O\n",
"nsites": 10,
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],
"chemical_system": "Ga-O-Sb-Sr",
"density": 6.119529707835587,
"density_atomic": 0.07964366589843233,
"volume": 125.55926309008379,
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"formula_full": "Sr2 Ga1 Sb1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-107033",
"created_at": "2022-09-04T14:36:57.572886Z",
"updated_at": "2022-09-04T14:36:57.572900Z",
"structure_string": "Sr2 Ga1 Si1\n1.0\n6.301915 0.015464 0.000000\n-4.557166 4.352771 0.000000\n-0.000000 -0.000000 4.242425\nSr Ga Si\n2 1 1\ndirect\n0.360460 0.639538 0.500001 Sr\n0.641525 0.358474 -0.000000 Sr\n0.064119 0.935880 0.500001 Ga\n0.933894 0.066105 -0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Si-Sr",
"density": 3.886172285900144,
"density_atomic": 0.03428413125344285,
"volume": 116.67205362242672,
"volume_molar": 17.56538824181304,
"formula_full": "Sr2 Ga1 Si1",
"formula_reduced": "Sr2GaSi",
"formula_anonymous": "ABC2",
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"spacegroup": 38
},
{
"id": "jvasp-9128",
"created_at": "2022-09-04T14:38:34.363031Z",
"updated_at": "2022-09-04T14:38:34.363055Z",
"structure_string": "Sr8 Ge4\n1.0\n5.154141 -0.000000 0.000000\n-0.000000 8.083525 0.000000\n0.000000 0.000000 9.573572\nSr Ge\n8 4\ndirect\n0.750000 0.348176 0.078805 Sr\n0.250000 0.651824 0.921195 Sr\n0.750000 0.848175 0.421195 Sr\n0.250000 0.151824 0.578805 Sr\n0.250000 0.018379 0.175294 Sr\n0.750000 0.981620 0.824706 Sr\n0.250000 0.518379 0.324706 Sr\n0.750000 0.481620 0.675294 Sr\n0.250000 0.752237 0.601309 Ge\n0.750000 0.247762 0.398691 Ge\n0.250000 0.252237 0.898691 Ge\n0.750000 0.747762 0.101309 Ge\n",
"nsites": 12,
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"elements": [
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"density": 4.127807990613158,
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"volume": 398.869738868513,
"volume_molar": 20.017080936421905,
"formula_full": "Sr8 Ge4",
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"spacegroup": 62
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{
"id": "jvasp-108889",
"created_at": "2022-09-04T14:38:27.769986Z",
"updated_at": "2022-09-04T14:38:27.770005Z",
"structure_string": "Sr2 Ge2 O5\n1.0\n4.026561 -0.000000 0.000000\n0.000000 4.026561 0.000000\n-0.000000 -0.000000 7.306010\nSr Ge O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.241860 Ge\n0.500000 0.500000 0.758140 Ge\n0.500000 0.000000 0.231809 O\n0.500000 0.000000 0.768191 O\n-0.000000 0.500000 0.231809 O\n-0.000000 0.500000 0.768191 O\n0.500000 0.500000 0.500000 O\n",
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"volume": 118.45375374591849,
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"formula_full": "Sr2 Ge2 O5",
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"formula_anonymous": "A2B2C5",
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"spacegroup": 123
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{
"id": "jvasp-92530",
"created_at": "2022-09-04T14:35:51.957275Z",
"updated_at": "2022-09-04T14:35:51.957284Z",
"structure_string": "Sr2 Ge2 Pb1\n1.0\n-4.065531 -0.000000 0.000000\n0.000000 0.000000 -4.640084\n2.032766 -7.736111 0.000000\nSr Ge Pb\n2 2 1\ndirect\n0.368609 0.500000 0.737219 Sr\n0.631390 0.500000 0.262780 Sr\n0.200635 0.000000 0.401270 Ge\n0.799364 0.000000 0.598730 Ge\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 5,
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"density": 6.0046381208121336,
"density_atomic": 0.03426132796643006,
"volume": 145.9371336948498,
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"formula_full": "Sr2 Ge2 Pb1",
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"spacegroup": 65
},
{
"id": "jvasp-23042",
"created_at": "2022-09-04T14:38:29.495159Z",
"updated_at": "2022-09-04T14:38:29.495178Z",
"structure_string": "Sr8 Ge8 Se20\n1.0\n0.000000 8.515168 0.008968\n12.382041 0.000000 0.000000\n0.000000 -7.891758 -9.218759\nSr Ge Se\n8 8 20\ndirect\n0.538458 0.196664 0.479445 Sr\n0.461542 0.696664 0.020555 Sr\n0.461542 0.803336 0.520555 Sr\n0.538458 0.303336 0.979445 Sr\n0.012918 0.336613 0.469363 Sr\n0.987082 0.836613 0.030637 Sr\n0.987082 0.663387 0.530637 Sr\n0.012918 0.163387 0.969363 Sr\n0.157358 0.049666 0.667208 Ge\n0.842642 0.549666 0.832792 Ge\n0.842642 0.950334 0.332792 Ge\n0.157358 0.450334 0.167208 Ge\n0.515021 0.520368 0.313451 Ge\n0.484979 0.020368 0.186549 Ge\n0.515021 0.979632 0.813451 Ge\n0.484979 0.479632 0.686549 Ge\n0.250318 0.558162 0.454206 Se\n0.478398 0.714788 0.291482 Se\n0.521602 0.214788 0.208518 Se\n0.318380 0.992764 0.284549 Se\n0.681620 0.492764 0.215451 Se\n0.681620 0.007236 0.715451 Se\n0.318380 0.507236 0.784549 Se\n0.749682 0.058162 0.045794 Se\n0.250318 0.941837 0.954206 Se\n0.896208 0.909386 0.557014 Se\n0.937647 0.792668 0.277269 Se\n0.937646 0.707332 0.777269 Se\n0.062353 0.292668 0.222731 Se\n0.062353 0.207332 0.722731 Se\n0.103792 0.090614 0.442986 Se\n0.896208 0.590614 0.057014 Se\n0.478397 0.785212 0.791482 Se\n0.103792 0.409386 0.942986 Se\n0.749682 0.441838 0.545794 Se\n0.521602 0.285212 0.708518 Se\n",
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"density": 4.892640024798266,
"density_atomic": 0.037071171272681475,
"volume": 971.1050059680515,
"volume_molar": 16.244808440778463,
"formula_full": "Sr8 Ge8 Se20",
"formula_reduced": "Sr2Ge2Se5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 14
},
{
"id": "jvasp-9613",
"created_at": "2022-09-04T14:38:11.229378Z",
"updated_at": "2022-09-04T14:38:11.229408Z",
"structure_string": "Sr4 Ge2 S8\n1.0\n0.000000 6.743238 0.007358\n6.682849 0.000000 0.000000\n0.000000 -2.545574 -7.814259\nSr Ge S\n4 2 8\ndirect\n0.764943 0.750000 0.566569 Sr\n0.235058 0.250000 0.433431 Sr\n0.723675 0.750000 0.054799 Sr\n0.276325 0.250000 0.945200 Sr\n0.273861 0.750000 0.199354 Ge\n0.726140 0.250000 0.800645 Ge\n0.503666 0.505970 0.740385 S\n0.496335 0.005970 0.259615 S\n0.496335 0.494030 0.259615 S\n0.503666 0.994030 0.740385 S\n0.082001 0.750000 0.377654 S\n0.918000 0.250000 0.622346 S\n0.903500 0.250000 0.079558 S\n0.096500 0.750000 0.920442 S\n",
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"density": 3.5486655991090625,
"density_atomic": 0.039770815730240876,
"volume": 352.01691851029096,
"volume_molar": 15.142110236931584,
"formula_full": "Sr4 Ge2 S8",
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},
{
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"created_at": "2022-09-04T14:36:33.891055Z",
"updated_at": "2022-09-04T14:36:33.891070Z",
"structure_string": "Sr4 Ge2 Se8\n1.0\n6.470753 0.012054 0.000000\n-2.179577 6.092638 0.000000\n0.000000 -0.000000 10.340679\nSr Ge Se\n4 2 8\ndirect\n0.747196 0.362456 0.250000 Sr\n0.362456 0.747197 0.750000 Sr\n0.001525 0.001525 0.500000 Sr\n0.001525 0.001525 0.000000 Sr\n0.759984 0.312354 0.750000 Ge\n0.312353 0.759984 0.250000 Ge\n0.264307 0.114348 0.250000 Se\n0.114348 0.264308 0.750000 Se\n0.702065 0.835747 0.250000 Se\n0.835747 0.702066 0.750000 Se\n0.137314 0.571830 0.441324 Se\n0.571830 0.137314 0.558676 Se\n0.137314 0.571830 0.058676 Se\n0.571830 0.137314 0.941324 Se\n",
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"density_atomic": 0.03431859177554306,
"volume": 407.94214668146776,
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"formula_full": "Sr4 Ge2 Se8",
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"spacegroup": 40
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{
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"created_at": "2022-09-04T14:37:30.034890Z",
"updated_at": "2022-09-04T14:37:30.034920Z",
"structure_string": "Sr2 H3 I1\n1.0\n2.113640 -3.660932 0.000000\n2.113640 3.660932 -0.000000\n0.000000 -0.000000 7.635662\nSr H I\n2 3 1\ndirect\n0.666667 0.333333 0.320331 Sr\n0.333333 0.666667 0.679669 Sr\n0.000000 0.000000 0.500000 H\n0.666667 0.333333 0.645004 H\n0.333333 0.666667 0.354996 H\n0.000000 0.000000 0.000000 I\n",
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],
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"volume": 118.16786058099133,
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"formula_full": "Sr2 H3 I1",
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"spacegroup": 164
},
{
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"updated_at": "2022-09-04T14:36:44.534824Z",
"structure_string": "Sr2 H5 Rh1\n1.0\n5.394804 0.042831 -0.060573\n2.734495 4.650621 -0.060573\n2.660309 1.535930 4.344265\nSr H Rh\n2 5 1\ndirect\n0.251266 0.251266 0.248734 Sr\n0.751265 0.751265 0.748735 Sr\n0.231102 0.780955 0.219045 H\n0.780955 0.231103 0.219045 H\n0.231102 0.780955 0.768898 H\n0.780955 0.231102 0.768898 H\n0.755931 0.755932 0.244068 H\n0.994417 0.994418 0.005583 Rh\n",
"nsites": 8,
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],
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"volume": 109.47529616975281,
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"formula_full": "Sr2 H5 Rh1",
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"spacegroup": 107
}
]
}