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{
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{
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"structure_string": "Ti1 Mo2 W1\n1.0\n3.869544 0.000000 2.234082\n1.289848 3.648241 2.234082\n-0.000000 -0.000000 4.468164\nTi Mo W\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Ti\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.749999 Mo\n0.000000 0.000000 0.000000 W\n",
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"formula_full": "Ti1 Mo2 W1",
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{
"id": "jvasp-121976",
"created_at": "2022-09-04T14:38:54.258948Z",
"updated_at": "2022-09-04T14:38:54.258975Z",
"structure_string": "Ti1 Mo6 Se8\n1.0\n6.662514 0.022550 -0.087147\n-0.088589 6.661963 -0.087147\n0.022177 0.022550 6.663047\nTi Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.447169 0.772153 0.577382 Mo\n0.552831 0.227847 0.422617 Mo\n0.772153 0.577382 0.447169 Mo\n0.227847 0.422617 0.552831 Mo\n0.577382 0.447169 0.772153 Mo\n0.422617 0.552831 0.227847 Mo\n0.639586 0.876035 0.239076 Se\n0.360414 0.123965 0.760923 Se\n0.776654 0.776653 0.776654 Se\n0.223346 0.223346 0.223346 Se\n0.239077 0.639586 0.876035 Se\n0.760923 0.360413 0.123964 Se\n0.876035 0.239077 0.639586 Se\n0.123965 0.760923 0.360413 Se\n",
"nsites": 15,
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"elements": [
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"density": 7.0467105680157,
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"volume": 295.78156066872106,
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"formula_full": "Ti1 Mo6 Se8",
"formula_reduced": "Ti(Mo3Se4)2",
"formula_anonymous": "AB6C8",
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"spacegroup": 148
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{
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"created_at": "2022-09-04T14:36:54.250131Z",
"updated_at": "2022-09-04T14:36:54.250150Z",
"structure_string": "Ti1 Mo2 S4\n1.0\n6.129597 -0.013948 2.719140\n5.283454 3.107613 2.719140\n0.004228 0.001146 6.015614\nTi Mo S\n1 2 4\ndirect\n0.742029 0.742027 0.318555 Ti\n0.258204 0.258205 0.684623 Mo\n0.001609 0.001611 0.993668 Mo\n0.895168 0.895166 0.442552 S\n0.104748 0.104749 0.557013 S\n0.637721 0.637719 0.028819 S\n0.360521 0.360522 0.974766 S\n",
"nsites": 7,
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"elements": [
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"density": 5.314163310363054,
"density_atomic": 0.06087342806355673,
"volume": 114.99270244303376,
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"formula_full": "Ti1 Mo2 S4",
"formula_reduced": "Ti(MoS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 8
},
{
"id": "jvasp-35380",
"created_at": "2022-09-04T14:37:44.411687Z",
"updated_at": "2022-09-04T14:37:44.411713Z",
"structure_string": "Ti1 Mo2 S4\n1.0\n-0.000000 3.210549 0.000000\n0.103664 0.000000 6.010763\n5.982751 -1.605275 -2.704225\nTi Mo S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.258597 0.314432 0.517192 Mo\n0.741404 0.685567 0.482807 Mo\n0.108783 0.444174 0.217565 S\n0.891219 0.555824 0.782434 S\n0.362623 0.028287 0.725242 S\n0.637379 0.971711 0.274757 S\n",
"nsites": 7,
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"elements": [
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"density_atomic": 0.06016110700628488,
"volume": 116.35424194020777,
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"formula_full": "Ti1 Mo2 S4",
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"spacegroup": 12
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{
"id": "jvasp-80017",
"created_at": "2022-09-04T14:37:03.757473Z",
"updated_at": "2022-09-04T14:37:03.757492Z",
"structure_string": "Ti2 Mo1 Pt1\n1.0\n0.000003 3.139040 3.139042\n3.139038 0.000004 3.139040\n3.139038 3.139038 0.000005\nTi Mo Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500002 Ti\n0.250000 0.250000 0.250000 Mo\n0.749998 0.749998 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"Mo",
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],
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"density": 10.38171171164983,
"density_atomic": 0.06466072249717025,
"volume": 61.86135640805826,
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"formula_full": "Ti2 Mo1 Pt1",
"formula_reduced": "Ti2MoPt",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-100509",
"created_at": "2022-09-04T14:36:59.756947Z",
"updated_at": "2022-09-04T14:36:59.756972Z",
"structure_string": "Ti2 Mo1 Pd1\n1.0\n3.848362 0.000000 2.221853\n1.282787 3.628271 2.221853\n0.000000 0.000000 4.443706\nTi Mo Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.9777675693834045,
"density_atomic": 0.06446723418786375,
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"formula_full": "Ti2 Mo1 Pd1",
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},
{
"id": "jvasp-109079",
"created_at": "2022-09-04T14:38:17.408052Z",
"updated_at": "2022-09-04T14:38:17.408070Z",
"structure_string": "Ti2 Mo1 Os1\n1.0\n3.820644 -0.000000 2.205850\n1.273548 3.602138 2.205850\n-0.000000 -0.000000 4.411699\nTi Mo Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.749999 0.750001 0.750000 Ti\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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],
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"formula_full": "Ti2 Mo1 Os1",
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},
{
"id": "jvasp-101683",
"created_at": "2022-09-04T14:36:46.364503Z",
"updated_at": "2022-09-04T14:36:46.364526Z",
"structure_string": "Ti1 Mo1 O4\n1.0\n4.750553 -0.051844 0.000000\n-0.084855 4.750078 0.000000\n0.000000 0.000000 2.911374\nTi Mo O\n1 1 4\ndirect\n0.499999 0.500001 0.499999 Ti\n0.000000 0.000000 0.000000 Mo\n0.207045 0.792954 0.499999 O\n0.792953 0.207047 0.499999 O\n0.300060 0.300061 -0.000000 O\n0.699938 0.699941 -0.000000 O\n",
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},
{
"id": "jvasp-80019",
"created_at": "2022-09-04T14:37:16.122148Z",
"updated_at": "2022-09-04T14:37:16.122167Z",
"structure_string": "Ti2 Mo1 Ir1\n1.0\n0.000001 3.120418 3.120417\n3.120418 0.000000 3.120418\n3.120416 3.120417 0.000002\nTi Mo Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500002 Ti\n0.749999 0.749999 0.750000 Mo\n0.250000 0.250000 0.250000 Ir\n",
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{
"id": "jvasp-81349",
"created_at": "2022-09-04T14:37:15.600281Z",
"updated_at": "2022-09-04T14:37:15.600310Z",
"structure_string": "Ti2 Mo1 Au1\n1.0\n-9.423838 3.625255 -3.550872\n-6.494353 2.435779 0.382529\n-6.212624 4.807371 -1.151098\nTi Mo Au\n2 1 1\ndirect\n0.730929 -0.058605 0.097592 Ti\n0.269077 0.058608 -0.097603 Ti\n-0.000001 0.000019 -0.000019 Mo\n0.499994 -0.000021 0.000032 Au\n",
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