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{
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"results": [
{
"id": "jvasp-30577",
"created_at": "2022-09-04T14:36:49.073588Z",
"updated_at": "2022-09-04T14:36:49.073609Z",
"structure_string": "Ti8 O16\n1.0\n5.183224 0.000000 0.000000\n-0.000000 5.987273 0.000000\n0.000000 0.000000 9.887576\nTi O\n8 16\ndirect\n0.493252 0.750000 0.486338 Ti\n0.493252 0.750000 0.013662 Ti\n0.506747 0.250000 0.513662 Ti\n0.506747 0.250000 0.986338 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.333056 0.001059 0.098236 O\n0.333056 0.498941 0.401764 O\n0.333056 0.498941 0.098236 O\n0.333056 0.001059 0.401764 O\n0.666944 0.998940 0.901764 O\n0.666944 0.501059 0.598236 O\n0.832951 0.250000 0.095611 O\n0.166598 0.250000 0.900484 O\n0.167048 0.750000 0.904389 O\n0.167048 0.750000 0.595611 O\n0.666944 0.998940 0.598236 O\n0.166598 0.250000 0.599517 O\n0.833401 0.750000 0.099517 O\n0.833401 0.750000 0.400483 O\n0.832951 0.250000 0.404389 O\n0.666944 0.501059 0.901764 O\n",
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{
"id": "jvasp-36225",
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"structure_string": "Ti2 Si1\n1.0\n3.067773 3.067773 0.000000\n3.067773 0.000000 -3.067773\n0.000000 3.067773 -3.067773\nTi Si\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Si\n",
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"spacegroup": 216
},
{
"id": "jvasp-36226",
"created_at": "2022-09-04T14:36:51.398805Z",
"updated_at": "2022-09-04T14:36:51.398827Z",
"structure_string": "Ti2 In1\n1.0\n3.236139 3.236139 -0.000000\n3.236139 -0.000000 -3.236139\n-0.000000 3.236139 -3.236139\nTi In\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 In\n",
"nsites": 3,
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"elements": [
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"density": 5.158185672918184,
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"volume": 67.78155028160592,
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"formula_full": "Ti2 In1",
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"spacegroup": 216
},
{
"id": "jvasp-42465",
"created_at": "2022-09-04T14:36:49.021743Z",
"updated_at": "2022-09-04T14:36:49.021776Z",
"structure_string": "Cr1 Ni2\n1.0\n-1.786139 -1.234893 3.708340\n1.786139 1.234893 3.708340\n-1.786139 1.234893 -3.708340\nCr Ni\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.666168 0.666168 0.000000 Ni\n0.333832 0.333832 0.000000 Ni\n",
"nsites": 3,
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"elements": [
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"volume": 32.71780194896512,
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"formula_full": "Cr1 Ni2",
"formula_reduced": "CrNi2",
"formula_anonymous": "AB2",
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"spacegroup": 71
},
{
"id": "jvasp-18430",
"created_at": "2022-09-04T14:36:48.213393Z",
"updated_at": "2022-09-04T14:36:48.213418Z",
"structure_string": "Fe1 O2\n1.0\n2.657650 -0.024707 3.943867\n1.186542 2.378199 3.943867\n-0.040355 -0.024707 4.755582\nFe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.261518 0.261519 0.261521 O\n0.738482 0.738478 0.738484 O\n",
"nsites": 3,
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"elements": [
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"volume": 30.722472764737834,
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"spacegroup": 166
},
{
"id": "jvasp-56823",
"created_at": "2022-09-04T14:36:43.342360Z",
"updated_at": "2022-09-04T14:36:43.342381Z",
"structure_string": "Ba1 Sn2\n1.0\n2.379145 -4.120800 0.000000\n2.379145 4.120800 0.000000\n-0.000000 -0.000000 5.520920\nBa Sn\n1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666666 0.333332 0.106479 Sn\n0.333332 0.666666 0.893521 Sn\n",
"nsites": 3,
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},
{
"id": "jvasp-36396",
"created_at": "2022-09-04T14:36:43.343183Z",
"updated_at": "2022-09-04T14:36:43.343203Z",
"structure_string": "Ca2 Pb1\n1.0\n3.777171 3.777171 -0.000000\n3.777171 -0.000000 -3.777171\n0.000000 3.777171 -3.777171\nCa Pb\n2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
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"elements": [
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"volume": 107.77795416662354,
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"formula_full": "Ca2 Pb1",
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"spacegroup": 225
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{
"id": "jvasp-14097",
"created_at": "2022-09-04T14:36:43.402426Z",
"updated_at": "2022-09-04T14:36:43.402451Z",
"structure_string": "Er1 Si2\n1.0\n2.058036 -3.564624 0.000000\n2.058036 3.564624 0.000000\n-0.000000 0.000000 3.874904\nEr Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.666668 0.333334 0.499999 Si\n0.333334 0.666668 0.499999 Si\n",
"nsites": 3,
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"elements": [
"Er",
"Si"
],
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"density": 6.525787771371388,
"density_atomic": 0.05276714748601285,
"volume": 56.85355648218845,
"volume_molar": 11.412670661411642,
"formula_full": "Er1 Si2",
"formula_reduced": "ErSi2",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-101990",
"created_at": "2022-09-04T14:36:48.230662Z",
"updated_at": "2022-09-04T14:36:48.230691Z",
"structure_string": "H32 C16\n1.0\n5.742161 0.000000 -1.236242\n0.000000 5.293734 0.000000\n-0.041115 0.000000 11.453833\nH C\n32 16\ndirect\n0.665134 0.910934 0.433948 H\n0.456287 0.168848 0.918707 H\n0.543714 0.831151 0.081293 H\n0.543714 0.668847 0.581293 H\n0.456287 0.331152 0.418707 H\n0.693112 0.027141 0.868608 H\n0.306889 0.972859 0.131392 H\n0.306889 0.527140 0.631392 H\n0.693112 0.472859 0.368608 H\n0.480712 0.739399 0.220735 H\n0.480712 0.760600 0.720734 H\n0.519288 0.239399 0.279266 H\n0.891200 0.516037 0.777081 H\n0.108801 0.483963 0.222919 H\n0.108801 0.016037 0.722919 H\n0.891199 0.983962 0.277081 H\n0.519289 0.260600 0.779265 H\n0.942777 0.720818 0.134324 H\n0.057224 0.279181 0.865676 H\n0.334867 0.089065 0.566052 H\n0.334867 0.410935 0.066052 H\n0.665134 0.589065 0.933948 H\n0.952864 0.343134 0.569633 H\n0.047137 0.843133 0.930367 H\n0.952863 0.156866 0.069633 H\n0.047137 0.656866 0.430367 H\n0.278713 0.816913 0.385643 H\n0.278714 0.683086 0.885643 H\n0.721287 0.316914 0.114357 H\n0.057224 0.220818 0.365676 H\n0.942777 0.779181 0.634324 H\n0.721287 0.183086 0.614357 H\n0.401559 0.706331 0.628055 C\n0.963424 0.040847 0.370339 C\n0.598442 0.293668 0.371945 C\n0.963424 0.459152 0.870339 C\n0.036577 0.540847 0.129661 C\n0.036577 0.959152 0.629661 C\n0.864061 0.342214 0.066453 C\n0.764339 0.089621 0.435178 C\n0.135939 0.842214 0.433547 C\n0.864062 0.157785 0.566453 C\n0.764339 0.410379 0.935178 C\n0.235661 0.589621 0.064822 C\n0.235662 0.910378 0.564822 C\n0.401558 0.793668 0.128056 C\n0.135940 0.657785 0.933547 C\n0.598442 0.206331 0.871944 C\n",
"nsites": 48,
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"elements": [
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"volume": 347.89850805095335,
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"formula_full": "H32 C16",
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},
{
"id": "jvasp-105433",
"created_at": "2022-09-04T14:36:49.164143Z",
"updated_at": "2022-09-04T14:36:49.164166Z",
"structure_string": "Nb2 Pd1\n1.0\n6.708160 0.001403 1.639833\n6.127705 2.719955 1.178032\n0.003942 -0.018464 2.817864\nNb Pd\n2 1\ndirect\n0.337259 0.337262 0.662738 Nb\n0.662738 0.662740 0.337260 Nb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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],
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"density": 9.45325066547362,
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"volume": 51.33302095676835,
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"formula_full": "Nb2 Pd1",
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"spacegroup": 69
},
{
"id": "jvasp-18957",
"created_at": "2022-09-04T14:36:53.994192Z",
"updated_at": "2022-09-04T14:36:53.994201Z",
"structure_string": "Ti2 Cu1\n1.0\n2.825046 0.000000 -0.743767\n-0.195817 2.818251 -0.743767\n0.006837 0.007328 5.763024\nTi Cu\n2 1\ndirect\n0.662417 0.662417 0.324832 Ti\n0.337584 0.337584 0.675166 Ti\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
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"volume": 45.914199013047075,
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},
{
"id": "jvasp-102135",
"created_at": "2022-09-04T14:36:43.109056Z",
"updated_at": "2022-09-04T14:36:43.109071Z",
"structure_string": "Yb4 Mg2\n1.0\n9.281897 0.040467 -0.000000\n-8.557245 3.595665 0.000000\n-0.000000 -0.000000 5.786737\nYb Mg\n4 2\ndirect\n0.593299 0.406703 0.750000 Yb\n0.280356 0.719646 0.750000 Yb\n0.406703 0.593299 0.250000 Yb\n0.719646 0.280356 0.250000 Yb\n0.937844 0.062158 0.750000 Mg\n0.062158 0.937844 0.250000 Mg\n",
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}
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}