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{
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{
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{
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"structure_string": "Ti1 Cr1 O4\n1.0\n3.488568 -0.029283 -4.209648\n-0.475764 3.456098 -4.209648\n0.025745 0.029283 5.467228\nTi Cr O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.962357 0.462357 0.500000 O\n0.797395 0.797394 0.000001 O\n0.537643 0.037643 0.500000 O\n0.202607 0.202607 0.000000 O\n",
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"formula_full": "Ti1 Cr1 O4",
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"spacegroup": 119
},
{
"id": "jvasp-44744",
"created_at": "2022-09-04T14:38:07.481625Z",
"updated_at": "2022-09-04T14:38:07.481650Z",
"structure_string": "Ti1 Cr1 O4\n1.0\n5.471378 0.307448 -0.000000\n2.670986 4.785012 -0.000000\n-4.071181 -2.546230 2.640586\nTi Cr O\n1 1 4\ndirect\n0.750001 0.250001 0.500001 Ti\n0.000000 0.000000 0.000000 Cr\n0.537865 0.037865 0.500001 O\n0.202215 0.202215 0.000000 O\n0.962137 0.462136 0.500001 O\n0.797786 0.797785 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:46.793051Z",
"updated_at": "2022-09-04T14:37:46.793075Z",
"structure_string": "Ti3 Cr3 P3\n1.0\n3.205660 -5.552366 0.000000\n3.205660 5.552366 -0.000000\n0.000000 -0.000000 3.253347\nTi Cr P\n3 3 3\ndirect\n0.405322 0.405322 0.500000 Ti\n0.594678 -0.000000 0.500000 Ti\n-0.000000 0.594678 0.500000 Ti\n-0.000000 0.253893 0.000000 Cr\n0.253893 -0.000000 0.000000 Cr\n0.746107 0.746107 0.000000 Cr\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.500000 P\n",
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"elements": [
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{
"id": "jvasp-101094",
"created_at": "2022-09-04T14:36:48.441579Z",
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"structure_string": "Ti1 Cr1 P2\n1.0\n3.467222 -0.000000 0.000000\n-1.733611 3.002702 0.000000\n0.000000 0.000000 5.744354\nTi Cr P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666666 0.265730 P\n0.666666 0.333333 0.734270 P\n",
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{
"id": "jvasp-99919",
"created_at": "2022-09-04T14:36:34.668242Z",
"updated_at": "2022-09-04T14:36:34.668268Z",
"structure_string": "Ti1 Cr1 S2\n1.0\n3.417881 0.000000 0.000000\n-1.708942 2.959973 -0.000000\n0.000000 -0.000000 5.935577\nTi Cr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666666 0.256521 S\n0.666667 0.333333 0.743479 S\n",
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{
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"created_at": "2022-09-04T14:36:17.957723Z",
"updated_at": "2022-09-04T14:36:17.957750Z",
"structure_string": "Ti1 Cr2 S4\n1.0\n-0.000000 3.447916 0.000000\n-0.075138 0.000000 6.089068\n5.654041 -1.723959 -2.979297\nTi Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.741456 0.729248 0.482912 Cr\n0.258544 0.270752 0.517088 Cr\n0.632387 0.967615 0.264774 S\n0.367614 0.032385 0.735226 S\n0.872457 0.546652 0.744913 S\n0.127543 0.453348 0.255086 S\n",
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{
"id": "jvasp-53682",
"created_at": "2022-09-04T14:37:30.895997Z",
"updated_at": "2022-09-04T14:37:30.896021Z",
"structure_string": "Ti1 Cr2 S4\n1.0\n4.774756 0.013938 -0.005336\n-0.326470 4.917935 0.006706\n-0.305301 -0.528873 4.890258\nTi Cr S\n1 2 4\ndirect\n0.151025 0.092393 0.878185 Ti\n0.720391 0.278711 0.517308 Cr\n0.720198 0.731605 0.064312 Cr\n0.223710 0.235261 0.445295 S\n0.687210 0.226719 0.012444 S\n0.223556 0.659528 0.021020 S\n0.773914 0.775784 0.561437 S\n",
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{
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"created_at": "2022-09-04T14:37:31.914059Z",
"updated_at": "2022-09-04T14:37:31.914093Z",
"structure_string": "Ti1 Cr2 Se4\n1.0\n0.000000 3.637636 0.000000\n-0.060604 0.000000 6.468940\n5.933388 -1.818818 -3.134306\nTi Cr Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.259007 0.275622 0.518014 Cr\n0.740994 0.724378 0.481987 Cr\n0.123913 0.450553 0.247826 Se\n0.876088 0.549447 0.752175 Se\n0.367631 0.031988 0.735262 Se\n0.632370 0.968011 0.264739 Se\n",
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},
{
"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",
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},
{
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"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",
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}