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{
"id": "jvasp-21357",
"created_at": "2022-09-04T14:37:14.310854Z",
"updated_at": "2022-09-04T14:37:14.310881Z",
"structure_string": "Zn2 Si4 Ni2 O12\n1.0\n5.168759 0.128755 1.203999\n1.446706 6.468679 0.532737\n0.186351 -0.104935 6.646416\nZn Si Ni O\n2 4 2 12\ndirect\n0.750000 0.239393 0.760609 Zn\n0.250001 0.760609 0.239393 Zn\n0.239977 0.217425 0.389330 Si\n0.260022 0.610671 0.782577 Si\n0.739977 0.389330 0.217425 Si\n0.760023 0.782577 0.610671 Si\n0.249999 0.096371 0.903632 Ni\n0.750000 0.903633 0.096369 Ni\n0.645897 0.960583 0.794533 O\n0.854104 0.205467 0.039419 O\n0.628140 0.623615 0.134386 O\n0.871860 0.865616 0.376386 O\n0.371860 0.376385 0.865615 O\n0.014549 0.610856 0.673118 O\n0.985450 0.389146 0.326883 O\n0.514551 0.673118 0.610857 O\n0.354103 0.039419 0.205468 O\n0.485451 0.326884 0.389144 O\n0.128140 0.134385 0.623615 O\n0.145897 0.794534 0.960582 O\n",
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{
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"structure_string": "Sm1 Ni1 O3\n1.0\n3.764238 0.000000 0.000000\n-0.000000 3.764238 0.000000\n-0.000000 -0.000000 3.764238\nSm Ni O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Ni\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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"created_at": "2022-09-04T14:38:10.405006Z",
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"structure_string": "Sr1 Sm1 Ni1 O4\n1.0\n3.624164 -0.016708 -5.561214\n-0.333815 3.608797 -5.561214\n0.015305 0.016708 6.637879\nSr Sm Ni O\n1 1 1 4\ndirect\n0.641490 0.641490 0.000001 Sr\n0.363047 0.363047 0.000001 Sm\n0.003717 0.003717 0.000000 Ni\n0.839771 0.839771 0.000001 O\n0.171562 0.171562 0.000000 O\n0.990205 0.490206 0.500000 O\n0.490206 0.990207 0.500002 O\n",
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"density_atomic": 0.08004089480933838,
"volume": 87.45529415524862,
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"formula_full": "Sr1 Sm1 Ni1 O4",
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"formula_anonymous": "ABCD4",
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"spacegroup": 107
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{
"id": "jvasp-112815",
"created_at": "2022-09-04T14:38:44.410263Z",
"updated_at": "2022-09-04T14:38:44.410288Z",
"structure_string": "Ni4 Sn4 O12\n1.0\n5.111459 -0.000088 1.421503\n-2.753265 4.535031 -0.000131\n0.029780 0.018319 9.794903\nNi Sn O\n4 4 12\ndirect\n0.647287 0.323644 0.029093 Ni\n0.352714 0.676356 0.970905 Ni\n0.647288 0.823644 0.529093 Ni\n0.352713 0.176356 0.470907 Ni\n0.855714 0.927854 0.216429 Sn\n0.855714 0.427854 0.716429 Sn\n0.144288 0.572146 0.283570 Sn\n0.144287 0.072146 0.783570 Sn\n0.451317 0.877171 0.375507 O\n0.451316 0.377171 0.875507 O\n0.252687 0.925857 0.124493 O\n0.252687 0.425857 0.624493 O\n0.747314 0.574142 0.375506 O\n0.949655 0.326831 0.124495 O\n0.548685 0.622828 0.124492 O\n0.548684 0.122829 0.624492 O\n0.050346 0.673169 0.875504 O\n0.949656 0.826832 0.624495 O\n0.747314 0.074143 0.875507 O\n0.050345 0.173168 0.375504 O\n",
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"formula_full": "Ni4 Sn4 O12",
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{
"id": "jvasp-92469",
"created_at": "2022-09-04T14:36:12.700765Z",
"updated_at": "2022-09-04T14:36:12.700776Z",
"structure_string": "Sr1 Ni1 O3\n1.0\n5.420507 -0.000519 0.005541\n2.710503 -2.710471 0.002675\n0.004250 -0.000195 -3.833341\nSr Ni O\n1 1 3\ndirect\n0.998460 0.008180 0.504989 Sr\n0.498606 0.006213 0.002944 Ni\n0.498414 0.010029 0.505330 O\n0.498236 0.508703 0.007017 O\n0.998446 0.510052 0.007021 O\n",
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"formula_full": "Sr1 Ni1 O3",
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{
"id": "jvasp-91264",
"created_at": "2022-09-04T14:35:58.712795Z",
"updated_at": "2022-09-04T14:35:58.712821Z",
"structure_string": "Sr2 Ni2 O4\n1.0\n3.582837 -0.000000 -0.784142\n-0.000000 3.763789 0.000000\n-0.048576 0.000000 8.355319\nSr Ni O\n2 2 4\ndirect\n0.333107 0.750000 0.666215 Sr\n0.666893 0.249999 0.333786 Sr\n0.064099 0.750000 0.128201 Ni\n0.935901 0.249999 0.871801 Ni\n0.180150 0.750000 0.360301 O\n0.819850 0.249999 0.639700 O\n0.948329 0.750000 0.896662 O\n0.051668 0.249999 0.103339 O\n",
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"volume": 112.5284671910592,
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"formula_full": "Sr2 Ni2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 63
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{
"id": "jvasp-11705",
"created_at": "2022-09-04T14:38:31.250188Z",
"updated_at": "2022-09-04T14:38:31.250204Z",
"structure_string": "Sr1 Ni4 O8\n1.0\n5.162216 -0.019927 4.347316\n2.010657 4.754591 4.347316\n-0.030190 -0.019927 6.748832\nSr Ni O\n1 4 8\ndirect\n0.500001 0.499999 0.500000 Sr\n0.000000 0.000000 0.000000 Ni\n0.500001 -0.000001 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.773726 0.285794 0.773725 O\n0.226276 0.226275 0.714206 O\n0.226276 0.714205 0.226275 O\n0.714206 0.226275 0.226275 O\n0.278150 0.278149 0.278149 O\n0.721852 0.721850 0.721851 O\n0.773726 0.773724 0.285795 O\n0.285795 0.773724 0.773725 O\n",
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"volume": 166.8149073491416,
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"formula_full": "Sr1 Ni4 O8",
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"formula_anonymous": "AB4C8",
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{
"id": "jvasp-86563",
"created_at": "2022-09-04T14:36:04.124714Z",
"updated_at": "2022-09-04T14:36:04.124749Z",
"structure_string": "Sr2 Ni1 Te1 O6\n1.0\n4.956259 -0.029385 2.344290\n1.155495 4.765341 3.789200\n-0.011806 -0.026826 6.196988\nSr Ni Te O\n2 1 1 6\ndirect\n0.182358 0.304315 0.304323 Sr\n0.817644 0.695690 0.695671 Sr\n0.499997 -0.000007 0.000007 Ni\n-0.000001 0.000004 -0.000001 Te\n0.267794 0.746324 0.232340 O\n0.732197 0.253668 0.767667 O\n0.166612 0.799121 0.799129 O\n0.732202 0.767659 0.253672 O\n0.267792 0.232343 0.746332 O\n0.833399 0.200883 0.200863 O\n",
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"volume": 147.1368497292988,
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"formula_full": "Sr2 Ni1 Te1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 12
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{
"id": "jvasp-100062",
"created_at": "2022-09-04T14:36:34.524239Z",
"updated_at": "2022-09-04T14:36:34.524259Z",
"structure_string": "Sr2 Ni1 Te1 O6\n1.0\n4.913878 -0.030638 -3.827723\n-1.172060 4.752158 -3.852516\n0.014352 0.030638 6.228760\nSr Ni Te O\n2 1 1 6\ndirect\n0.303837 0.303837 0.000000 Sr\n0.696163 0.696163 0.000000 Sr\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.500000 Te\n0.755812 0.757639 0.513451 O\n0.244188 0.242361 0.486549 O\n0.797959 0.297959 0.500000 O\n0.755812 0.242361 -0.001827 O\n0.244188 0.757639 0.001827 O\n0.202041 0.702041 0.500000 O\n",
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"created_at": "2022-09-04T14:36:10.215652Z",
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"structure_string": "Sr2 Ni1 Te1 O6\n1.0\n4.958338 -0.031472 2.341052\n1.152916 4.764488 3.786085\n-0.014354 -0.027657 6.193733\nSr Ni Te O\n2 1 1 6\ndirect\n0.182410 0.304328 0.304330 Sr\n0.817592 0.695667 0.695675 Sr\n0.499999 0.000006 -0.000008 Ni\n-0.000002 -0.000002 0.000002 Te\n0.267457 0.746642 0.232685 O\n0.732550 0.253358 0.767311 O\n0.166857 0.799101 0.799103 O\n0.732549 0.767316 0.253356 O\n0.267452 0.232690 0.746641 O\n0.833145 0.200895 0.200901 O\n",
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{
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"structure_string": "Sr2 Y1 Tl1 Ni2 O7\n1.0\n3.754579 0.000000 0.000000\n0.000000 3.754579 -0.000000\n0.000000 0.000000 12.234038\nSr Y Tl Ni O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.206314 Sr\n0.500000 0.500000 0.793686 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.356909 Ni\n0.000000 0.000000 0.643091 Ni\n0.000000 0.500000 0.381465 O\n0.500000 0.000000 0.381465 O\n0.000000 0.500000 0.618535 O\n0.500000 0.000000 0.618535 O\n0.000000 0.000000 0.183142 O\n0.000000 0.000000 0.816858 O\n0.500000 0.500000 0.000000 O\n",
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"structure_string": "Sr2 Y1 Tl1 Ni2 O7\n1.0\n3.754552 0.000189 -0.000010\n-0.000190 3.754563 -0.000006\n-0.000023 -0.000014 12.236796\nSr Y Tl Ni O\n2 1 1 2 7\ndirect\n0.500001 0.500001 0.793710 Sr\n0.500000 0.500001 0.206291 Sr\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000003 0.000000 Tl\n-0.000000 -0.000000 0.643061 Ni\n0.000001 0.000001 0.356939 Ni\n0.500002 -0.000001 0.618520 O\n-0.000001 0.499999 0.618519 O\n0.499998 0.000001 0.381480 O\n0.000001 0.500001 0.381480 O\n0.000001 0.000001 0.816919 O\n0.000000 0.000001 0.183082 O\n0.500001 0.499999 0.000000 O\n",
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