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{
"id": "jvasp-9896",
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{
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{
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"created_at": "2022-09-04T14:37:05.838004Z",
"updated_at": "2022-09-04T14:37:05.838024Z",
"structure_string": "Ti2 Zn4 Ir2 O12\n1.0\n0.000000 5.216214 0.002027\n5.226876 0.000000 0.000000\n0.000000 -5.178035 -7.630239\nTi Zn Ir O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.259828 0.970313 0.251027 Zn\n0.740171 0.470313 0.248973 Zn\n0.259827 0.529688 0.751027 Zn\n0.740170 0.029687 0.748973 Zn\n0.499999 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.105812 0.819479 0.934365 O\n0.262913 0.327309 0.939761 O\n0.894186 0.319479 0.565635 O\n0.634053 0.081497 0.250492 O\n0.365945 0.918504 0.749507 O\n0.894186 0.180521 0.065635 O\n0.737085 0.672692 0.060239 O\n0.262914 0.172691 0.439761 O\n0.737084 0.827310 0.560239 O\n0.634052 0.418504 0.750492 O\n0.105812 0.680522 0.434365 O\n0.365946 0.581497 0.249507 O\n",
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"density": 7.455560216247226,
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"formula_full": "Ti2 Zn4 Ir2 O12",
"formula_reduced": "TiZn2IrO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
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{
"id": "jvasp-30932",
"created_at": "2022-09-04T14:36:42.490268Z",
"updated_at": "2022-09-04T14:36:42.490286Z",
"structure_string": "Ti4 Zn8\n1.0\n2.539919 -4.399270 -0.000000\n2.539919 4.399270 0.000000\n0.000000 -0.000000 8.126123\nTi Zn\n4 8\ndirect\n0.333333 0.666667 0.931790 Ti\n0.666667 0.333333 0.431790 Ti\n0.666667 0.333333 0.068209 Ti\n0.333333 0.666667 0.568209 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.344506 0.172254 0.750000 Zn\n0.172254 0.827747 0.250000 Zn\n0.172254 0.344506 0.250000 Zn\n0.827747 0.655494 0.750000 Zn\n0.827747 0.172254 0.750000 Zn\n0.655494 0.827747 0.250000 Zn\n",
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"elements": [
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{
"id": "jvasp-36527",
"created_at": "2022-09-04T14:37:39.961195Z",
"updated_at": "2022-09-04T14:37:39.961221Z",
"structure_string": "Ti1 Zn1\n1.0\n3.139769 0.000000 -0.000000\n0.000000 3.139769 0.000000\n-0.000000 -0.000000 3.139769\nTi Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n",
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{
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"created_at": "2022-09-04T14:38:14.032926Z",
"updated_at": "2022-09-04T14:38:14.032946Z",
"structure_string": "Ti1 W2 O8\n1.0\n4.232853 -0.155820 -2.438879\n-0.971162 6.018139 -1.977573\n-0.576057 0.025755 6.128545\nTi W O\n1 2 8\ndirect\n0.124697 0.223239 0.099693 Ti\n0.915306 0.418630 0.632205 W\n0.334088 0.027852 0.567181 W\n0.215489 0.666526 0.839655 O\n0.520573 0.482734 0.363021 O\n0.209443 0.187383 0.813655 O\n0.449803 0.064428 0.330532 O\n0.728814 0.963742 0.836362 O\n0.033898 0.779959 0.359731 O\n0.039957 0.259098 0.385734 O\n0.799589 0.382044 0.868852 O\n",
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{
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"created_at": "2022-09-04T14:36:09.410036Z",
"updated_at": "2022-09-04T14:36:09.410064Z",
"structure_string": "Ti1 W1\n1.0\n2.776868 0.002428 0.000000\n-0.969745 2.602037 0.000000\n0.000000 0.000000 4.443702\nTi W\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500000 W\n",
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{
"id": "jvasp-51159",
"created_at": "2022-09-04T14:36:49.591202Z",
"updated_at": "2022-09-04T14:36:49.591223Z",
"structure_string": "Ti1 V1 W1\n1.0\n0.000000 2.975965 2.975965\n2.975965 -0.000000 2.975965\n2.975965 2.975965 0.000000\nTi V W\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 W\n",
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{
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"created_at": "2022-09-04T14:37:34.025136Z",
"updated_at": "2022-09-04T14:37:34.025157Z",
"structure_string": "Ti1 V2 Te4\n1.0\n0.000000 4.019065 0.000000\n-0.088355 0.000000 7.050999\n6.056923 -2.009533 -3.469803\nTi V Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.245518 0.269211 0.491033 V\n0.754484 0.730789 0.508967 V\n0.117643 0.459109 0.235287 Te\n0.882359 0.540892 0.764713 Te\n0.368510 0.041679 0.737017 Te\n0.631492 0.958322 0.262983 Te\n",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:37:49.560170Z",
"updated_at": "2022-09-04T14:37:49.560179Z",
"structure_string": "Ti1 V1 Tc2\n1.0\n0.000000 3.058412 3.058412\n3.058412 0.000000 3.058412\n3.058412 3.058412 -0.000000\nTi V Tc\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ti\n0.749999 0.749999 0.749999 V\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 Tc\n",
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{
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"structure_string": "Ti1 V1 Se4\n1.0\n3.469525 0.000000 0.000000\n0.000000 6.021638 0.018710\n-0.000000 -0.003245 6.104951\nTi V Se\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 -0.000000 V\n-0.000000 0.662476 0.747011 Se\n0.500001 0.170388 0.743393 Se\n0.500001 0.829613 0.256607 Se\n-0.000000 0.337525 0.252989 Se\n",
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{
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"created_at": "2022-09-04T14:36:59.383828Z",
"updated_at": "2022-09-04T14:36:59.383851Z",
"structure_string": "Ti2 V2 S4\n1.0\n3.323915 -0.000000 0.000000\n0.000000 5.844953 0.000000\n0.000000 -0.000000 6.002403\nTi V S\n2 2 4\ndirect\n-0.000000 0.058349 0.509026 Ti\n-0.000000 0.941651 0.009026 Ti\n0.500001 0.442349 0.485943 V\n0.500001 0.557651 0.985942 V\n-0.000000 0.663799 0.719719 S\n-0.000000 0.336201 0.219719 S\n0.500001 0.822165 0.285312 S\n0.500001 0.177834 0.785311 S\n",
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}