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{
"id": "jvasp-38228",
"created_at": "2022-09-04T14:37:55.972202Z",
"updated_at": "2022-09-04T14:37:55.972224Z",
"structure_string": "Rb3 Mo1\n1.0\n0.000000 4.737006 4.737006\n4.737006 -0.000000 4.737006\n4.737006 4.737006 0.000000\nRb Mo\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Mo\n",
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{
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"created_at": "2022-09-04T14:37:46.266965Z",
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"structure_string": "Rb3 Mo1\n1.0\n-3.348502 3.348502 4.743738\n3.348502 -3.348502 4.743738\n3.348502 3.348502 -4.743738\nRb Mo\n3 1\ndirect\n0.750001 0.250000 0.500001 Rb\n0.250000 0.750001 0.500001 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Mo\n",
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{
"id": "jvasp-15958",
"created_at": "2022-09-04T14:38:02.038227Z",
"updated_at": "2022-09-04T14:38:02.038256Z",
"structure_string": "Zr3 Mo3 P3\n1.0\n3.483999 -6.034463 -0.000000\n3.483999 6.034463 0.000000\n-0.000000 -0.000000 3.464895\nZr Mo P\n3 3 3\ndirect\n0.595900 0.595900 0.499999 Zr\n0.000000 0.404100 0.499999 Zr\n0.404100 0.000000 0.499999 Zr\n0.748292 0.000000 0.000000 Mo\n0.000000 0.748292 0.000000 Mo\n0.251708 0.251708 0.000000 Mo\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.499999 P\n",
"nsites": 9,
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"elements": [
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],
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"density": 7.458723036975039,
"density_atomic": 0.061774008712037067,
"volume": 145.6923419354893,
"volume_molar": 9.748664342106306,
"formula_full": "Zr3 Mo3 P3",
"formula_reduced": "ZrMoP",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"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",
"Pt"
],
"chemical_system": "Mo-Pt-Ti",
"density": 10.38171171164983,
"density_atomic": 0.06466072249717025,
"volume": 61.86135640805826,
"volume_molar": 9.313444897346372,
"formula_full": "Ti2 Mo1 Pt1",
"formula_reduced": "Ti2MoPt",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37268",
"created_at": "2022-09-04T14:37:58.836668Z",
"updated_at": "2022-09-04T14:37:58.836694Z",
"structure_string": "Si6 Mo2 Pt4\n1.0\n3.524225 0.000000 0.000000\n0.000000 5.560296 0.000000\n0.000000 0.000000 9.288292\nSi Mo Pt\n6 2 4\ndirect\n0.499999 0.826447 0.434994 Si\n0.499999 0.814281 0.777322 Si\n0.000000 0.657117 0.126488 Si\n0.499999 0.326447 0.565006 Si\n0.499999 0.314281 0.222678 Si\n0.000000 0.157116 0.873512 Si\n0.000000 -0.001125 0.605283 Mo\n0.000000 0.498875 0.394717 Mo\n0.000000 -0.001153 0.285795 Pt\n0.499999 0.003134 0.029196 Pt\n0.000000 0.498848 0.714205 Pt\n0.499999 0.503134 0.970803 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mo",
"Pt"
],
"chemical_system": "Mo-Pt-Si",
"density": 10.407206706935531,
"density_atomic": 0.06593011703488612,
"volume": 182.01090093091062,
"volume_molar": 9.13412721050299,
"formula_full": "Si6 Mo2 Pt4",
"formula_reduced": "Si3MoPt2",
"formula_anonymous": "AB2C3",
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"spacegroup": 26
},
{
"id": "jvasp-37176",
"created_at": "2022-09-04T14:38:02.163059Z",
"updated_at": "2022-09-04T14:38:02.163086Z",
"structure_string": "Mo2 Pt2\n1.0\n2.754652 0.000000 0.000000\n0.000000 4.505236 -0.000000\n0.000000 0.000000 4.972686\nMo Pt\n2 2\ndirect\n0.000000 0.750001 0.163115 Mo\n0.000000 0.250000 0.836886 Mo\n0.500000 0.750001 0.665072 Pt\n0.500000 0.250000 0.334928 Pt\n",
"nsites": 4,
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"elements": [
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"density": 15.66147187461184,
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"volume": 61.71281028848709,
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"formula_full": "Mo2 Pt2",
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"spacegroup": 51
},
{
"id": "jvasp-99953",
"created_at": "2022-09-04T14:36:31.900512Z",
"updated_at": "2022-09-04T14:36:31.900539Z",
"structure_string": "Mo1 Pt3\n1.0\n2.792832 0.000000 0.000000\n0.000000 4.563856 0.000000\n0.000000 0.000000 4.898377\nMo Pt\n1 3\ndirect\n0.000000 0.000000 0.157364 Mo\n0.500000 0.500000 0.338784 Pt\n0.500000 0.000000 0.656080 Pt\n0.000000 0.500000 0.847773 Pt\n",
"nsites": 4,
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"elements": [
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"volume": 62.43512020010165,
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"formula_full": "Mo1 Pt3",
"formula_reduced": "MoPt3",
"formula_anonymous": "AB3",
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"spacegroup": 25
},
{
"id": "jvasp-102331",
"created_at": "2022-09-04T14:36:34.970106Z",
"updated_at": "2022-09-04T14:36:34.970130Z",
"structure_string": "Mo1 Pt1\n1.0\n2.812373 0.000000 0.000000\n-1.406187 2.435586 0.000000\n0.000000 0.000000 4.540236\nMo Pt\n1 1\ndirect\n0.666666 0.333334 -0.000000 Mo\n0.333333 0.666668 0.500000 Pt\n",
"nsites": 2,
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"elements": [
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"density": 15.539000700167886,
"density_atomic": 0.06430950678877903,
"volume": 31.099600974532237,
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"formula_full": "Mo1 Pt1",
"formula_reduced": "MoPt",
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"spacegroup": 187
},
{
"id": "jvasp-19912",
"created_at": "2022-09-04T14:37:01.415222Z",
"updated_at": "2022-09-04T14:37:01.415260Z",
"structure_string": "Mo1 Pt2\n1.0\n2.665086 -0.000000 -0.802949\n-0.492470 3.592206 -1.634572\n0.004573 0.001020 4.839528\nMo Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.663095 0.663095 0.326190 Pt\n0.336905 0.336906 0.673811 Pt\n",
"nsites": 3,
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"elements": [
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"spacegroup": 71
},
{
"id": "jvasp-7743",
"created_at": "2022-09-04T14:36:48.448673Z",
"updated_at": "2022-09-04T14:36:48.448684Z",
"structure_string": "Mo6 Pt2\n1.0\n5.013185 0.000000 -0.000000\n-0.000000 5.013185 -0.000000\n-0.000000 -0.000000 5.013185\nMo Pt\n6 2\ndirect\n0.250000 0.000000 0.500000 Mo\n0.750001 0.000000 0.500000 Mo\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750001 Mo\n0.500000 0.750001 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 8,
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"elements": [
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"volume": 125.9914849555111,
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"formula_reduced": "Mo3Pt",
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},
{
"id": "jvasp-99379",
"created_at": "2022-09-04T14:36:13.094101Z",
"updated_at": "2022-09-04T14:36:13.094128Z",
"structure_string": "Mo3 Pt1\n1.0\n3.967817 -0.000000 0.000000\n0.000000 3.967817 0.000000\n0.000000 0.000000 3.967817\nMo Pt\n3 1\ndirect\n-0.000000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 -0.000000 Mo\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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},
{
"id": "jvasp-17168",
"created_at": "2022-09-04T14:37:39.437675Z",
"updated_at": "2022-09-04T14:37:39.437704Z",
"structure_string": "Mo1 Pt3\n1.0\n3.973579 -0.000000 0.000000\n-0.000000 3.973579 0.000000\n-0.000000 -0.000000 3.973579\nMo Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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}