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{
"id": "jvasp-53047",
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"structure_string": "Sr1 U2 O6\n1.0\n3.182800 -0.000000 2.247061\n0.001498 5.608369 10.129254\n0.000999 -0.000000 6.752835\nSr U O\n1 2 6\ndirect\n0.000000 0.666667 -0.000001 Sr\n0.000001 0.997787 0.003318 U\n0.000000 0.335546 0.996681 U\n0.266124 0.309093 0.270237 O\n0.220694 0.666667 0.279295 O\n0.733876 0.024240 0.729763 O\n0.266124 0.024240 0.197520 O\n0.733877 0.309093 0.802480 O\n0.779307 0.666667 0.720704 O\n",
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{
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"structure_string": "Sr6 U2 O12\n1.0\n0.000000 6.030706 0.006709\n6.269916 0.000000 0.000000\n0.000000 -0.060094 -8.649987\nSr U O\n6 2 12\ndirect\n0.749999 0.981823 0.249999 Sr\n0.250002 0.481822 0.750001 Sr\n0.765134 0.430466 0.494014 Sr\n0.234867 0.930466 0.505986 Sr\n0.265143 0.033180 0.994009 Sr\n0.734858 0.533181 0.005991 Sr\n0.750009 0.981820 0.750000 U\n0.249993 0.481820 0.250000 U\n0.630616 0.042956 0.524382 O\n0.369386 0.542957 0.475618 O\n0.923064 0.707262 0.674251 O\n0.076937 0.207261 0.325749 O\n0.869397 0.920682 0.975619 O\n0.423050 0.756383 0.174257 O\n0.967132 0.658416 0.301566 O\n0.032869 0.158416 0.698434 O\n0.467155 0.805216 0.801573 O\n0.576951 0.256383 0.825744 O\n0.130605 0.420682 0.024381 O\n0.532846 0.305216 0.198427 O\n",
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"density": 6.0607728296604,
"density_atomic": 0.06114881116308868,
"volume": 327.0709539496758,
"volume_molar": 9.848336615962127,
"formula_full": "Sr6 U2 O12",
"formula_reduced": "Sr3UO6",
"formula_anonymous": "AB3C6",
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"spacegroup": 14
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{
"id": "jvasp-93413",
"created_at": "2022-09-04T14:36:31.077169Z",
"updated_at": "2022-09-04T14:36:31.077199Z",
"structure_string": "Sr1 U1 O4\n1.0\n6.640850 0.023306 0.014339\n5.464455 3.773747 0.014339\n5.464455 1.714028 3.362066\nSr U O\n1 1 4\ndirect\n0.499999 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 U\n0.106620 0.106621 0.106621 O\n0.359491 0.359492 0.359492 O\n0.640508 0.640510 0.640510 O\n0.893378 0.893381 0.893381 O\n",
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"formula_full": "Sr1 U1 O4",
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{
"id": "jvasp-79535",
"created_at": "2022-09-04T14:37:12.682310Z",
"updated_at": "2022-09-04T14:37:12.682331Z",
"structure_string": "Sr2 U1 Ni1\n1.0\n-3.925485 -3.925485 0.000000\n-3.925485 0.000000 -3.925485\n-0.000000 -3.925485 -3.925485\nSr U Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.749999 0.749999 Sr\n0.000000 0.000000 0.000000 U\n0.499999 0.499999 0.499999 Ni\n",
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"formula_full": "Sr2 U1 Ni1",
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{
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"created_at": "2022-09-04T14:36:41.676488Z",
"updated_at": "2022-09-04T14:36:41.676514Z",
"structure_string": "Sr2 U1 Mn1\n1.0\n-3.762930 -3.762930 0.000000\n-3.762930 -0.000000 -3.762930\n-0.000000 -3.762930 -3.762930\nSr U Mn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Mn\n",
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{
"id": "jvasp-106587",
"created_at": "2022-09-04T14:36:58.016223Z",
"updated_at": "2022-09-04T14:36:58.016251Z",
"structure_string": "Sr1 Tm1 O3\n1.0\n4.294097 -0.000000 0.000000\n0.000000 4.294097 0.000000\n-0.000000 -0.000000 4.294097\nSr Tm O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Tm\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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"elements": [
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"density": 6.3869804428442745,
"density_atomic": 0.06314725152144987,
"volume": 79.18000989008364,
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"formula_full": "Sr1 Tm1 O3",
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"formula_anonymous": "ABC3",
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{
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"created_at": "2022-09-04T14:36:39.159541Z",
"updated_at": "2022-09-04T14:36:39.159566Z",
"structure_string": "Sr2 Tl1 Zn1\n1.0\n4.869209 -0.000000 2.811239\n1.623070 4.590734 2.811239\n-0.000000 -0.000000 5.622478\nSr Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750001 Sr\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 5.879932224096003,
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"formula_full": "Sr2 Tl1 Zn1",
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"spacegroup": 225
},
{
"id": "jvasp-91588",
"created_at": "2022-09-04T14:35:54.795002Z",
"updated_at": "2022-09-04T14:35:54.795027Z",
"structure_string": "Sr2 Tl4 Pd2\n1.0\n4.411159 0.000000 -0.000000\n-2.205579 5.607978 -0.000000\n-0.000000 -0.000000 8.493161\nSr Tl Pd\n2 4 2\ndirect\n0.434560 0.869119 0.750000 Sr\n0.565440 0.130882 0.250000 Sr\n0.144567 0.289135 0.950244 Tl\n0.855433 0.710865 0.049756 Tl\n0.144567 0.289135 0.549756 Tl\n0.855433 0.710865 0.450244 Tl\n0.280036 0.560073 0.250000 Pd\n0.719964 0.439928 0.750000 Pd\n",
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},
{
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"created_at": "2022-09-04T14:36:55.034316Z",
"updated_at": "2022-09-04T14:36:55.034342Z",
"structure_string": "Sr2 Tl1 Pb1\n1.0\n5.000422 -0.000000 2.886995\n1.666807 4.714443 2.886995\n-0.000000 -0.000000 5.773990\nSr Tl Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750001 Sr\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 Pb\n",
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},
{
"id": "jvasp-37634",
"created_at": "2022-09-04T14:37:55.017348Z",
"updated_at": "2022-09-04T14:37:55.017363Z",
"structure_string": "Sr1 Tl1 O3\n1.0\n4.259964 0.000000 0.000000\n-0.000000 4.259964 -0.000000\n0.000000 0.000000 4.259964\nSr Tl O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Tl\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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},
{
"id": "jvasp-110469",
"created_at": "2022-09-04T14:38:38.449843Z",
"updated_at": "2022-09-04T14:38:38.449873Z",
"structure_string": "Sr2 Tl1 In1\n1.0\n4.963875 0.000000 2.865894\n1.654625 4.679986 2.865894\n-0.000000 0.000000 5.731788\nSr Tl In\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Sr\n0.749998 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500000 In\n",
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