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{
"id": "jvasp-115883",
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{
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{
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"structure_string": "Ti2 Mo2\n1.0\n0.000000 -2.656043 -0.000000\n-5.224700 0.000000 0.000000\n2.612350 1.328021 -4.963034\nTi Mo\n2 2\ndirect\n0.631237 0.881237 0.762476 Ti\n0.368762 0.118762 0.237523 Ti\n0.626735 0.376736 0.753472 Mo\n0.373264 0.623264 0.246527 Mo\n",
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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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"Mo",
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],
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"volume": 61.86135640805826,
"volume_molar": 9.313444897346372,
"formula_full": "Ti2 Mo1 Pt1",
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"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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"density": 7.9777675693834045,
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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",
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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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"Mo",
"Au"
],
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"density": 9.903617569675031,
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"volume": 65.16334492420519,
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"spacegroup": 10
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{
"id": "jvasp-75588",
"created_at": "2022-09-04T14:35:51.781326Z",
"updated_at": "2022-09-04T14:35:51.781344Z",
"structure_string": "Ti2 Mo1 As1\n1.0\n-0.000000 3.136402 3.136402\n3.136402 0.000000 3.136402\n3.136402 3.136402 -0.000000\nTi Mo 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 Mo\n0.500000 0.500000 0.500000 As\n",
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},
{
"id": "jvasp-44636",
"created_at": "2022-09-04T14:38:34.307182Z",
"updated_at": "2022-09-04T14:38:34.307210Z",
"structure_string": "Ti2 Mn6 O16\n1.0\n2.853628 -4.942630 -0.000000\n2.853628 4.942630 -0.000000\n-0.000000 0.000000 8.967880\nTi Mn O\n2 6 16\ndirect\n0.666667 0.333333 0.504722 Ti\n0.333333 0.666667 0.004722 Ti\n0.335894 0.167947 0.786684 Mn\n0.832054 0.664106 0.786684 Mn\n0.832054 0.167947 0.786684 Mn\n0.167947 0.832054 0.286684 Mn\n0.167947 0.335894 0.286684 Mn\n0.664106 0.832054 0.286684 Mn\n0.165259 0.330518 0.899441 O\n0.333333 0.666667 0.397228 O\n0.481102 0.962204 0.166442 O\n0.037796 0.518898 0.166442 O\n0.834741 0.165259 0.399441 O\n0.165259 0.834741 0.899441 O\n0.962204 0.481102 0.666442 O\n0.000000 0.000000 0.682508 O\n0.834741 0.669482 0.399441 O\n0.000000 0.000000 0.182508 O\n0.481102 0.518898 0.166442 O\n0.666667 0.333333 0.897228 O\n0.518898 0.481102 0.666442 O\n0.330518 0.165259 0.399441 O\n0.518898 0.037796 0.666442 O\n0.669482 0.834741 0.899441 O\n",
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{
"id": "jvasp-32159",
"created_at": "2022-09-04T14:37:47.093921Z",
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"structure_string": "Ti2 Mn4 P24\n1.0\n5.831570 0.000000 -0.000000\n-2.915784 7.315936 -3.450994\n-0.000000 -0.004028 10.716430\nTi Mn P\n2 4 24\ndirect\n0.302693 -0.000000 0.750000 Ti\n0.697307 -0.000000 0.250000 Ti\n0.372017 0.364653 0.546475 Mn\n0.992637 0.364654 0.046475 Mn\n0.627984 0.635347 0.453525 Mn\n0.007364 0.635347 0.953525 Mn\n0.416007 0.124884 0.167336 P\n0.291124 0.875116 0.332664 P\n0.647385 0.642979 0.663675 P\n0.004405 0.357021 0.836326 P\n0.352616 0.357021 0.336326 P\n0.995596 0.642979 0.163675 P\n0.431906 0.764977 0.992903 P\n0.666929 0.235023 0.507098 P\n0.568095 0.235023 0.007098 P\n0.594998 0.547315 0.925033 P\n0.983174 0.065431 0.927657 P\n0.082258 0.065431 0.427657 P\n0.016826 0.934569 0.072344 P\n0.331097 0.312122 0.743070 P\n0.018975 0.687878 0.756930 P\n0.668904 0.687879 0.256931 P\n0.981026 0.312122 0.243070 P\n0.708877 0.124884 0.667336 P\n0.583994 0.875116 0.832664 P\n0.952318 0.547316 0.425033 P\n0.405003 0.452685 0.074968 P\n0.047683 0.452685 0.574967 P\n0.917743 0.934569 0.572344 P\n0.333072 0.764977 0.492903 P\n",
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{
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"created_at": "2022-09-04T14:36:33.254612Z",
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"structure_string": "Ti2 Mn2 Sb2\n1.0\n4.552322 -0.000000 0.000000\n-2.276161 3.942428 -0.000000\n0.000000 0.000000 5.588674\nTi Mn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.749999 Sb\n",
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}