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{
"id": "jvasp-91264",
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"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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{
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{
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"structure_string": "Sr2 Ni2 F8\n1.0\n7.413553 0.038507 0.000000\n-6.337936 3.846143 0.000000\n0.000000 0.000000 5.609420\nSr Ni F\n2 2 8\ndirect\n0.652962 0.347038 0.125005 Sr\n0.347038 0.652962 0.625005 Sr\n0.912454 0.087547 0.177519 Ni\n0.087545 0.912454 0.677519 Ni\n0.834890 0.165111 0.887849 F\n0.165109 0.834890 0.387849 F\n0.964149 0.035852 0.518974 F\n0.035850 0.964148 0.018974 F\n0.419179 0.580820 0.198774 F\n0.580820 0.419180 0.698774 F\n0.794919 0.205082 0.375778 F\n0.205080 0.794918 0.875778 F\n",
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{
"id": "jvasp-85964",
"created_at": "2022-09-04T14:36:10.215652Z",
"updated_at": "2022-09-04T14:36:10.215678Z",
"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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"elements": [
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"chemical_system": "Ni-O-Sr-Te",
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"volume": 147.15148815546308,
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"formula_full": "Sr2 Ni1 Te1 O6",
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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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"formula_full": "Sr2 Ni1 Te1 O6",
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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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{
"id": "jvasp-111001",
"created_at": "2022-09-04T14:38:36.164038Z",
"updated_at": "2022-09-04T14:38:36.164065Z",
"structure_string": "Sr2 Ni1 O3 F1\n1.0\n3.662350 0.045268 -6.109430\n-0.241865 3.654635 -6.109430\n-0.041850 -0.045268 7.122934\nSr Ni O F\n2 1 3 1\ndirect\n0.634449 0.634449 -0.000001 Sr\n0.361376 0.361376 -0.000001 Sr\n0.977288 0.977288 -0.000002 Ni\n0.502804 0.002804 0.500000 O\n0.002803 0.502803 0.499998 O\n0.827808 0.827809 -0.000001 O\n0.175967 0.175967 -0.000000 F\n",
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"volume": 93.412673284823,
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"formula_full": "Sr2 Ni1 O3 F1",
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{
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"created_at": "2022-09-04T14:37:12.089956Z",
"updated_at": "2022-09-04T14:37:12.089977Z",
"structure_string": "Sr2 Ni1 N6 O12\n1.0\n6.105254 -0.000000 3.524870\n2.035084 5.756088 3.524870\n0.000000 0.000000 7.049740\nSr Ni N O\n2 1 6 12\ndirect\n0.250000 0.250001 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Ni\n0.202425 0.202425 0.797575 N\n0.202426 0.797575 0.797574 N\n0.797574 0.202425 0.202427 N\n0.797574 0.202425 0.797575 N\n0.202426 0.797575 0.202426 N\n0.797573 0.797575 0.202426 N\n0.607997 -0.000000 0.999999 O\n-0.000000 -0.000000 0.607998 O\n0.607997 -0.000000 0.392003 O\n0.392002 0.000000 0.000001 O\n0.392004 0.607997 0.000000 O\n0.999998 0.392003 0.607997 O\n-0.000000 0.607997 0.392004 O\n0.999998 0.392003 0.000001 O\n0.392002 -0.000000 0.607997 O\n0.607996 0.392003 0.000000 O\n-0.000000 -0.000000 0.392003 O\n-0.000000 0.607997 0.000000 O\n",
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{
"id": "jvasp-96464",
"created_at": "2022-09-04T14:35:47.786817Z",
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"structure_string": "Sr2 Ni1 Mo1 O6\n1.0\n4.821677 0.000000 2.783796\n1.607225 4.545920 2.783796\n-0.000000 -0.000000 5.567593\nSr Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Sr\n0.249999 0.250001 0.250000 Sr\n0.500001 0.500000 0.500001 Ni\n0.000000 0.000000 0.000000 Mo\n0.244806 0.755195 0.755194 O\n0.244806 0.755195 0.244806 O\n0.755194 0.244804 0.755196 O\n0.244807 0.244804 0.755194 O\n0.755194 0.244804 0.244807 O\n0.755195 0.755195 0.244807 O\n",
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{
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"structure_string": "Sr2 Ni1 Mo1 O6\n1.0\n4.805988 -0.000000 -2.773170\n-1.600185 4.531768 -2.773170\n0.024061 0.034013 5.592746\nSr Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.249999 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Mo\n0.793842 0.720465 0.000000 O\n0.279534 0.793842 -0.000000 O\n0.720465 0.206158 0.000000 O\n0.206158 0.279535 0.000000 O\n0.242610 0.242610 0.485220 O\n0.757389 0.757390 0.514780 O\n",
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{
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"created_at": "2022-09-04T14:38:08.467533Z",
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"structure_string": "Sr2 Ni10 As6\n1.0\n3.783427 -0.000000 0.000000\n-1.891714 6.148140 -0.000000\n0.000000 0.000000 11.958670\nSr Ni As\n2 10 6\ndirect\n0.164912 0.329824 0.750000 Sr\n0.835090 0.670176 0.250000 Sr\n0.452443 0.904884 0.855187 Ni\n0.807141 0.614278 0.567074 Ni\n0.547559 0.095116 0.144813 Ni\n0.807141 0.614278 0.932926 Ni\n0.452443 0.904884 0.644813 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.192861 0.385722 0.432926 Ni\n0.547559 0.095116 0.355187 Ni\n0.192861 0.385722 0.067074 Ni\n0.378398 0.756793 0.458966 As\n0.887479 0.774956 0.750000 As\n0.378398 0.756793 0.041034 As\n0.621604 0.243207 0.958966 As\n0.112523 0.225044 0.250000 As\n0.621604 0.243207 0.541034 As\n",
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"formula_full": "Sr2 Ni10 As6",
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{
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"structure_string": "Sr2 Nd6\n1.0\n7.584398 0.000000 0.000000\n-3.792199 6.568281 0.000000\n0.000000 -0.000000 6.004771\nSr Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160794 0.321588 0.250000 Nd\n0.678412 0.839206 0.250000 Nd\n0.160793 0.839206 0.250000 Nd\n0.839207 0.678412 0.750000 Nd\n0.321588 0.160793 0.750000 Nd\n0.839207 0.160793 0.750000 Nd\n",
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"formula_full": "Sr2 Nd6",
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}
]
}