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"id": "jvasp-110942",
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{
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"structure_string": "Ti4 Cr8 Si10\n1.0\n6.776134 -0.003213 -5.978118\n-0.569256 4.592145 -7.761575\n-0.006577 0.003213 9.036251\nTi Cr Si\n4 8 10\ndirect\n0.742915 0.358093 0.384822 Ti\n0.257083 0.641906 0.615175 Ti\n0.973268 0.858092 0.115175 Ti\n0.026731 0.141907 0.884822 Ti\n0.188528 0.436582 0.751944 Cr\n0.684636 0.936582 0.748052 Cr\n0.315362 0.063417 0.251945 Cr\n0.811471 0.563417 0.248053 Cr\n0.692257 0.942258 0.249998 Cr\n0.692257 0.442258 0.749998 Cr\n0.307741 0.557741 0.249999 Cr\n0.307741 0.057741 0.749999 Cr\n0.352776 0.935240 0.417532 Si\n0.418419 0.212013 0.206406 Si\n0.581579 0.787986 0.793591 Si\n0.005604 0.712012 0.293592 Si\n0.994394 0.287987 0.706405 Si\n-0.000000 0.250000 0.249999 Si\n-0.000001 0.749999 0.749998 Si\n0.517706 0.435241 0.082465 Si\n0.482292 0.564758 0.917532 Si\n0.647223 0.064759 0.582465 Si\n",
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{
"id": "jvasp-112621",
"created_at": "2022-09-04T14:38:41.396161Z",
"updated_at": "2022-09-04T14:38:41.396178Z",
"structure_string": "Ti3 Cr3 Si12\n1.0\n12.804066 -0.000000 0.000000\n-0.000000 4.010859 2.277565\n-0.000000 0.003065 4.627779\nTi Cr Si\n3 3 12\ndirect\n0.248767 -0.000001 0.500000 Ti\n0.585999 0.500000 0.500000 Ti\n0.082008 0.500000 0.500000 Ti\n0.914111 0.500000 -0.000001 Cr\n0.420147 0.500000 -0.000001 Cr\n0.749200 -0.000001 0.500000 Cr\n0.253261 0.677792 0.157806 Si\n0.752476 0.670780 0.157053 Si\n0.417982 0.165676 0.668517 Si\n0.912877 0.159934 0.666306 Si\n0.078852 0.835116 0.844087 Si\n0.752476 0.329219 0.842946 Si\n0.253261 0.322207 0.842193 Si\n0.584436 0.158631 0.161479 Si\n0.417982 0.834323 0.331482 Si\n0.912877 0.840065 0.333694 Si\n0.584436 0.841368 0.838521 Si\n0.078852 0.164883 0.155912 Si\n",
"nsites": 18,
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"formula_full": "Ti3 Cr3 Si12",
"formula_reduced": "TiCrSi4",
"formula_anonymous": "ABC4",
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"spacegroup": 3
},
{
"id": "jvasp-99922",
"created_at": "2022-09-04T14:36:35.573473Z",
"updated_at": "2022-09-04T14:36:35.573499Z",
"structure_string": "Ti1 Cr2 Si6\n1.0\n4.575123 -0.004984 0.000000\n-2.248372 3.984546 0.000000\n0.000000 0.000000 6.376656\nTi Cr Si\n1 2 6\ndirect\n0.500000 0.500001 0.500000 Ti\n0.500000 0.000000 0.166524 Cr\n0.000000 0.500001 0.833476 Cr\n0.161228 0.838774 0.500000 Si\n0.159124 0.330067 0.162464 Si\n0.669934 0.840878 0.837537 Si\n0.838773 0.161228 0.500000 Si\n0.840877 0.669935 0.162464 Si\n0.330067 0.159124 0.837537 Si\n",
"nsites": 9,
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"chemical_system": "Cr-Si-Ti",
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"volume": 116.17363126188835,
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"formula_full": "Ti1 Cr2 Si6",
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"spacegroup": 21
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{
"id": "jvasp-102989",
"created_at": "2022-09-04T14:37:02.567018Z",
"updated_at": "2022-09-04T14:37:02.567047Z",
"structure_string": "Ti1 Cr1 Tc2\n1.0\n3.711033 0.000000 2.142566\n1.237011 3.498795 2.142566\n0.000000 0.000000 4.285132\nTi Cr Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500001 0.500001 Cr\n0.250000 0.250000 0.250000 Tc\n0.749999 0.750001 0.750001 Tc\n",
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"volume": 55.63876968390106,
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"spacegroup": 225
},
{
"id": "jvasp-35405",
"created_at": "2022-09-04T14:37:31.296752Z",
"updated_at": "2022-09-04T14:37:31.296766Z",
"structure_string": "Ti1 Cr2 Te4\n1.0\n-0.000000 3.951180 0.000000\n-0.028427 0.000000 7.035930\n6.271592 -1.975590 -3.414349\nTi Cr Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.257381 0.275043 0.514760 Cr\n0.742619 0.724957 0.485239 Cr\n0.122039 0.451370 0.244079 Te\n0.877960 0.548629 0.755920 Te\n0.367848 0.034335 0.735695 Te\n0.632152 0.965665 0.264304 Te\n",
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],
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"volume": 173.96817399474097,
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"formula_full": "Ti1 Cr2 Te4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 12
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{
"id": "jvasp-35501",
"created_at": "2022-09-04T14:37:31.672943Z",
"updated_at": "2022-09-04T14:37:31.672964Z",
"structure_string": "Ti2 Cr1 Te4\n1.0\n0.000000 3.853992 0.000000\n0.023384 0.000000 6.869829\n6.399951 -1.926996 -3.318104\nTi Cr Te\n2 1 4\ndirect\n0.251899 0.291197 0.503800 Ti\n0.748099 0.708804 0.496199 Ti\n0.000000 0.000000 0.000000 Cr\n0.109557 0.449789 0.219115 Te\n0.890441 0.550211 0.780884 Te\n0.367574 0.033917 0.735151 Te\n0.632424 0.966083 0.264848 Te\n",
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{
"id": "jvasp-107737",
"created_at": "2022-09-04T14:35:48.318508Z",
"updated_at": "2022-09-04T14:35:48.318536Z",
"structure_string": "Ti4 Cu1 Ag1\n1.0\n2.921376 -0.000000 0.000000\n0.000000 2.921376 0.000000\n-0.000000 0.000000 11.355862\nTi Cu Ag\n4 1 1\ndirect\n0.500001 0.500001 0.182307 Ti\n0.000000 0.000000 0.652918 Ti\n0.000000 0.000000 0.347082 Ti\n0.500001 0.500001 0.817693 Ti\n0.500001 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n",
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{
"id": "jvasp-75795",
"created_at": "2022-09-04T14:35:45.768371Z",
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"structure_string": "Ti2 Cu1 As1\n1.0\n0.000000 3.144121 3.144121\n3.144121 -0.000000 3.144121\n3.144121 3.144121 0.000000\nTi Cu As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 As\n",
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{
"id": "jvasp-7728",
"created_at": "2022-09-04T14:37:05.428557Z",
"updated_at": "2022-09-04T14:37:05.428585Z",
"structure_string": "Ti1 Cu1 Hg2\n1.0\n4.032929 0.000000 2.328413\n1.344310 3.802282 2.328413\n-0.000000 0.000000 4.656826\nTi Cu Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
"id": "jvasp-101029",
"created_at": "2022-09-04T14:36:45.234277Z",
"updated_at": "2022-09-04T14:36:45.234303Z",
"structure_string": "Ti2 Cu1 Ir1\n1.0\n3.787259 -0.000000 2.186575\n1.262420 3.570662 2.186575\n-0.000000 -0.000000 4.373150\nTi Cu Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750002 Ti\n0.250000 0.250000 0.250001 Ti\n0.500000 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Ir\n",
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{
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"structure_string": "Ti2 Cu1 Ni1\n1.0\n2.708745 0.000000 0.000000\n0.000000 4.360962 0.000000\n0.000000 0.000000 4.671711\nTi Cu Ni\n2 1 1\ndirect\n0.499999 0.000000 0.205735 Ti\n0.499999 0.500000 0.792858 Ti\n0.000000 0.500000 0.319893 Cu\n0.000000 0.000000 0.681513 Ni\n",
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