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{
"id": "jvasp-114335",
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"updated_at": "2022-09-04T14:38:40.294106Z",
"structure_string": "Li1 Y2 P2\n1.0\n-2.438532 2.438532 5.675553\n2.438532 -2.438532 5.675553\n2.438532 2.438532 -5.675553\nLi Y P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 Y\n0.639828 0.639828 0.000000 P\n0.360171 0.360171 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:38:40.250239Z",
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"structure_string": "Li1 P1 W1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nLi P W\n1 1 1\ndirect\n0.291296 0.000701 0.000000 Li\n0.000627 0.337977 0.000000 P\n-0.007818 -0.072858 0.000000 W\n",
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"volume": 192.04741855379137,
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"formula_full": "Li1 P1 W1",
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{
"id": "jvasp-114332",
"created_at": "2022-09-04T14:38:40.520392Z",
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"structure_string": "Li1 P1 W1\n1.0\n2.637650 0.000000 0.000000\n-0.000000 2.637650 -0.000000\n0.000000 0.000000 7.344709\nLi P W\n1 1 1\ndirect\n0.000000 0.000000 0.349489 Li\n0.000000 0.000000 0.666295 P\n0.000000 0.000000 -0.009025 W\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Li-P-W",
"density": 7.206313059479737,
"density_atomic": 0.05871003341043534,
"volume": 51.09859125828344,
"volume_molar": 10.257430306502947,
"formula_full": "Li1 P1 W1",
"formula_reduced": "LiPW",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-81274",
"created_at": "2022-09-04T14:37:18.366217Z",
"updated_at": "2022-09-04T14:37:18.366249Z",
"structure_string": "Li1 Zr2 Pt1\n1.0\n-12.663792 0.000000 -7.311443\n-7.500354 -0.401022 -1.631893\n-6.532338 2.336940 -3.308545\nLi Zr Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.680273 0.000000 0.000000 Zr\n0.319726 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Pt-Zr",
"density": 7.765891180460763,
"density_atomic": 0.04865599387394075,
"volume": 82.20980975875875,
"volume_molar": 12.376976155501671,
"formula_full": "Li1 Zr2 Pt1",
"formula_reduced": "LiZr2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9424451000000005,
"spacegroup": 139
},
{
"id": "jvasp-39794",
"created_at": "2022-09-04T14:37:48.921857Z",
"updated_at": "2022-09-04T14:37:48.921886Z",
"structure_string": "Li1 Zr1 Pt2\n1.0\n-0.000000 3.211545 3.211545\n3.211545 -0.000000 3.211545\n3.211545 3.211545 0.000000\nLi Zr Pt\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Zr\n0.000000 0.000000 0.000000 Pt\n0.500002 0.500002 0.500002 Pt\n",
"nsites": 4,
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"elements": [
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"Zr",
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],
"chemical_system": "Li-Pt-Zr",
"density": 12.240330384439552,
"density_atomic": 0.060379284258465865,
"volume": 66.24788698847742,
"volume_molar": 9.973852512429586,
"formula_full": "Li1 Zr1 Pt2",
"formula_reduced": "LiZrPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40350",
"created_at": "2022-09-04T14:37:45.999456Z",
"updated_at": "2022-09-04T14:37:45.999477Z",
"structure_string": "Li1 Zn2 Pt1\n1.0\n0.000000 3.051684 3.051684\n3.051684 0.000000 3.051684\n3.051684 3.051684 0.000000\nLi Zn Pt\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
"chemical_system": "Li-Pt-Zn",
"density": 9.723885750378315,
"density_atomic": 0.07037385042578397,
"volume": 56.83929436571596,
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"formula_full": "Li1 Zn2 Pt1",
"formula_reduced": "LiZn2Pt",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-106963",
"created_at": "2022-09-04T14:36:48.235577Z",
"updated_at": "2022-09-04T14:36:48.235601Z",
"structure_string": "Li1 Zn1 Pt2\n1.0\n3.702521 -0.000000 2.137652\n1.234174 3.490771 2.137652\n-0.000000 0.000000 4.275303\nLi Zn Pt\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pt\n0.749999 0.750000 0.749999 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Li-Pt-Zn",
"density": 13.899268584104433,
"density_atomic": 0.07238927082055088,
"volume": 55.256807461367934,
"volume_molar": 8.3191068120144,
"formula_full": "Li1 Zn1 Pt2",
"formula_reduced": "LiZnPt2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-40235",
"created_at": "2022-09-04T14:37:44.080443Z",
"updated_at": "2022-09-04T14:37:44.080471Z",
"structure_string": "Li1 Y2 Pt1\n1.0\n0.000000 3.508560 3.508560\n3.508560 0.000000 3.508560\n3.508560 3.508560 0.000000\nLi Y Pt\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.500001 Y\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.04630664025642256,
"volume": 86.38070000004404,
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"formula_full": "Li1 Y2 Pt1",
"formula_reduced": "LiY2Pt",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40596",
"created_at": "2022-09-04T14:37:44.166280Z",
"updated_at": "2022-09-04T14:37:44.166306Z",
"structure_string": "Li1 Tm2 Pt1\n1.0\n0.000000 3.445679 3.445680\n3.445679 0.000002 3.445678\n3.445680 3.445679 0.000000\nLi Tm Pt\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"Tm",
"Pt"
],
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"density": 10.957279785541349,
"density_atomic": 0.04888837595985968,
"volume": 81.81904024147258,
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"formula_full": "Li1 Tm2 Pt1",
"formula_reduced": "LiTm2Pt",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-40409",
"created_at": "2022-09-04T14:38:28.958983Z",
"updated_at": "2022-09-04T14:38:28.959005Z",
"structure_string": "Li1 Tm1 Pt2\n1.0\n-0.000000 3.267997 3.267997\n3.267997 0.000000 3.267997\n3.267997 3.267997 -0.000000\nLi Tm Pt\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Li\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Pt\n0.500001 0.500001 0.500001 Pt\n",
"nsites": 4,
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"elements": [
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],
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"volume": 69.80313742734445,
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"formula_full": "Li1 Tm1 Pt2",
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},
{
"id": "jvasp-38383",
"created_at": "2022-09-04T14:37:49.912123Z",
"updated_at": "2022-09-04T14:37:49.912136Z",
"structure_string": "Li2 Tl1 Pt1\n1.0\n-0.000000 3.156537 3.156537\n3.156537 0.000000 3.156537\n3.156537 3.156537 -0.000000\nLi Tl Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.750001 0.750001 0.750001 Tl\n0.250001 0.250001 0.250001 Pt\n",
"nsites": 4,
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"elements": [
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],
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"volume": 62.901738495457096,
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"formula_full": "Li2 Tl1 Pt1",
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},
{
"id": "jvasp-38831",
"created_at": "2022-09-04T14:37:54.396959Z",
"updated_at": "2022-09-04T14:37:54.396979Z",
"structure_string": "Li1 Ti1 Pt2\n1.0\n-0.000000 3.077152 3.077152\n3.077152 -0.000000 3.077152\n3.077152 3.077152 0.000000\nLi Ti Pt\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Ti\n0.000000 0.000000 0.000000 Pt\n0.500001 0.500001 0.500001 Pt\n",
"nsites": 4,
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