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{
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{
"id": "jvasp-110931",
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"updated_at": "2022-09-04T14:38:37.499869Z",
"structure_string": "Ti4 Sb2\n1.0\n3.805917 0.002118 -6.902705\n-0.250340 3.797676 -6.902705\n-0.001982 -0.002118 7.882407\nTi Sb\n4 2\ndirect\n0.170278 0.170279 0.000001 Ti\n0.829722 0.829723 0.000003 Ti\n0.500001 0.000000 0.500001 Ti\n0.000000 0.500000 0.500001 Ti\n0.359221 0.359221 0.000001 Sb\n0.640780 0.640780 0.000002 Sb\n",
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{
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{
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"created_at": "2022-09-04T14:38:11.351524Z",
"updated_at": "2022-09-04T14:38:11.351556Z",
"structure_string": "Ti4 S8\n1.0\n6.906545 0.002412 -0.001146\n-0.002157 6.906543 -0.000249\n-3.451527 -3.454449 4.884872\nTi S\n4 8\ndirect\n-0.000000 0.500053 0.499928 Ti\n0.000074 0.499972 0.999901 Ti\n0.000062 0.000115 0.500062 Ti\n0.500163 0.500069 0.000087 Ti\n0.246670 0.748839 0.497783 S\n0.751092 0.253330 0.002288 S\n0.751053 0.748893 0.002243 S\n0.751044 0.748815 0.497690 S\n0.248883 0.251064 0.502233 S\n0.248806 0.251055 -0.002297 S\n0.248816 0.746670 -0.002228 S\n0.753330 0.251115 0.502299 S\n",
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"formula_full": "Ti4 S8",
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"spacegroup": 227
},
{
"id": "jvasp-109430",
"created_at": "2022-09-04T14:38:16.114467Z",
"updated_at": "2022-09-04T14:38:16.114495Z",
"structure_string": "Ti4 S6\n1.0\n5.867336 -0.002959 0.972796\n-3.172834 4.935460 0.972796\n-0.000810 -0.001482 6.028293\nTi S\n4 6\ndirect\n0.672791 0.327209 0.000001 Ti\n0.327210 0.672790 0.000001 Ti\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Ti\n0.418062 0.081538 0.741558 S\n0.081539 0.418062 0.741558 S\n0.750740 0.750739 0.752042 S\n0.581939 0.918462 0.258442 S\n0.249261 0.249261 0.247959 S\n0.918463 0.581938 0.258442 S\n",
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"volume": 174.52764980609192,
"volume_molar": 10.510300736442723,
"formula_full": "Ti4 S6",
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"spacegroup": 12
},
{
"id": "jvasp-88067",
"created_at": "2022-09-04T14:35:49.564368Z",
"updated_at": "2022-09-04T14:35:49.564404Z",
"structure_string": "Ti4 S4 O20\n1.0\n5.276293 -0.000000 0.000000\n-0.000000 6.609215 0.000000\n0.000000 0.000000 11.168039\nTi S O\n4 4 20\ndirect\n0.250000 0.841737 0.056716 Ti\n0.750000 0.341737 0.443284 Ti\n0.250000 0.658262 0.556716 Ti\n0.750000 0.158262 0.943284 Ti\n0.250000 0.476804 0.844367 S\n0.750000 0.523194 0.155633 S\n0.750000 0.976805 0.655633 S\n0.250000 0.023196 0.344367 S\n0.750000 0.480279 0.285520 O\n0.750000 0.173896 0.592572 O\n0.519296 0.864568 0.626126 O\n0.500000 0.000000 0.000000 O\n0.980703 0.864568 0.626126 O\n0.480704 0.364569 0.873874 O\n0.000000 0.000000 0.000000 O\n0.019296 0.135431 0.373874 O\n0.750000 0.019720 0.785520 O\n0.480704 0.135431 0.373874 O\n0.750000 0.326104 0.092572 O\n0.980703 0.635431 0.126126 O\n0.000000 0.500000 0.500000 O\n0.019296 0.364569 0.873874 O\n0.250000 0.826104 0.407428 O\n0.250000 0.980279 0.214480 O\n0.500000 0.500000 0.500000 O\n0.250000 0.673895 0.907428 O\n0.519296 0.635431 0.126126 O\n0.250000 0.519720 0.714480 O\n",
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"formula_full": "Ti4 S4 O20",
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{
"id": "jvasp-101686",
"created_at": "2022-09-04T14:36:47.528320Z",
"updated_at": "2022-09-04T14:36:47.528330Z",
"structure_string": "Ti4 Ru1\n1.0\n11.113574 0.003137 1.976092\n10.810750 2.574851 0.848316\n0.000422 -0.003585 2.824408\nTi Ru\n4 1\ndirect\n0.409569 0.409572 0.590431 Ti\n0.803240 0.803242 0.196760 Ti\n0.196757 0.196760 0.803243 Ti\n0.590428 0.590431 0.409572 Ti\n0.000000 0.000000 0.000000 Ru\n",
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"spacegroup": 69
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{
"id": "jvasp-21579",
"created_at": "2022-09-04T14:37:48.313726Z",
"updated_at": "2022-09-04T14:37:48.313754Z",
"structure_string": "Ti4 Re2 B4\n1.0\n5.947122 -0.000000 0.000000\n-0.000000 5.947122 0.000000\n-0.000000 -0.000000 3.183406\nTi Re B\n4 2 4\ndirect\n0.819180 0.680819 0.500001 Ti\n0.319180 0.819180 0.500001 Ti\n0.180820 0.319180 0.500001 Ti\n0.680819 0.180820 0.500001 Ti\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Re\n0.107089 0.607089 0.000000 B\n0.607089 0.892910 0.000000 B\n0.392911 0.107089 0.000000 B\n0.892910 0.392911 0.000000 B\n",
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"elements": [
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"density": 8.954105421554965,
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"formula_full": "Ti4 Re2 B4",
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{
"id": "jvasp-30920",
"created_at": "2022-09-04T14:38:36.541299Z",
"updated_at": "2022-09-04T14:38:36.541326Z",
"structure_string": "Ti4 Pd6\n1.0\n4.626837 0.000000 -0.000000\n-0.000000 4.486736 -1.452788\n-0.000000 -0.035343 7.545574\nTi Pd\n4 6\ndirect\n0.750000 0.336380 0.215735 Ti\n0.250000 0.663622 0.784265 Ti\n0.750000 0.120645 0.784265 Ti\n0.250000 0.879356 0.215735 Ti\n0.250000 0.087616 0.610951 Pd\n0.750000 0.912385 0.389048 Pd\n0.750000 0.523337 0.610951 Pd\n0.250000 0.476665 0.389048 Pd\n0.750000 0.706044 -0.000000 Pd\n0.250000 0.293957 -0.000000 Pd\n",
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"formula_full": "Ti4 Pd6",
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"spacegroup": 63
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{
"id": "jvasp-107515",
"created_at": "2022-09-04T14:36:51.570677Z",
"updated_at": "2022-09-04T14:36:51.570707Z",
"structure_string": "Ti4 Pd1\n1.0\n2.873045 -0.193579 -8.314472\n-0.264233 2.867410 -8.314472\n0.188871 0.193579 8.794837\nTi Pd\n4 1\ndirect\n0.403401 0.403402 -0.000000 Ti\n0.803209 0.803209 -0.000000 Ti\n0.196791 0.196791 -0.000000 Ti\n0.596598 0.596598 -0.000000 Ti\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-120411",
"created_at": "2022-09-04T14:38:54.254287Z",
"updated_at": "2022-09-04T14:38:54.254315Z",
"structure_string": "Ti4 Pb2 O9 F2\n1.0\n5.744325 -0.009881 5.090161\n4.465998 3.612787 5.090161\n-0.004116 -0.001452 10.330647\nTi Pb O F\n4 2 9 2\ndirect\n0.660764 0.660767 0.774131 Ti\n0.339234 0.339235 0.225869 Ti\n0.621001 0.621003 0.453223 Ti\n0.378997 0.378999 0.546777 Ti\n0.082523 0.082523 0.159089 Pb\n0.917475 0.917478 0.840911 Pb\n0.379434 0.379435 0.353187 O\n0.620564 0.620567 0.646813 O\n0.561954 0.561956 0.335916 O\n0.438043 0.438046 0.664085 O\n0.852503 0.852506 0.569612 O\n0.147495 0.147496 0.430388 O\n0.802590 0.802593 0.240849 O\n0.197407 0.197409 0.759152 O\n0.499999 0.500001 -0.000000 O\n0.713993 0.713996 0.936564 F\n0.286005 0.286006 0.063436 F\n",
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{
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"created_at": "2022-09-04T14:38:12.146422Z",
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"structure_string": "Ti4 Pb2 C2\n1.0\n1.614540 -2.796466 -0.000000\n1.614540 2.796466 0.000000\n-0.000000 -0.000000 13.943705\nTi Pb C\n4 2 2\ndirect\n0.666667 0.333333 0.577481 Ti\n0.333333 0.666667 0.422519 Ti\n0.333333 0.666667 0.077481 Ti\n0.666667 0.333333 0.922519 Ti\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Ti4 P8\n1.0\n3.380267 0.000000 0.000000\n-0.000000 6.227419 0.000000\n0.000000 0.000000 8.304960\nTi P\n4 8\ndirect\n0.250000 0.766478 0.665747 Ti\n0.750001 0.233522 0.334253 Ti\n0.250000 0.266478 0.834253 Ti\n0.750001 0.733523 0.165747 Ti\n0.250000 0.415521 0.139133 P\n0.750001 0.584479 0.860867 P\n0.250000 0.915521 0.360867 P\n0.750001 0.084479 0.639133 P\n0.750001 0.120940 0.040249 P\n0.250000 0.879060 0.959751 P\n0.750001 0.620940 0.459751 P\n0.250000 0.379060 0.540249 P\n",
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}
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}