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"results": [
{
"id": "mp-21236",
"created_at": "2022-09-04T14:43:35.485196Z",
"structure_string": "Ba4 P4 Pt4\n1.0\n6.623897 0.000000 0.000000\n0.000000 6.623897 0.000000\n0.000000 0.000000 6.623897\nBa P Pt\n4 4 4\ndirect\n0.640251 0.359749 0.859749 Ba\n0.359749 0.859749 0.640251 Ba\n0.140251 0.140251 0.140251 Ba\n0.859749 0.640251 0.359749 Ba\n0.583710 0.916290 0.083710 P\n0.083710 0.583710 0.916290 P\n0.916290 0.083710 0.583710 P\n0.416290 0.416290 0.416290 P\n0.150859 0.349141 0.650859 Pt\n0.650859 0.150859 0.349141 Pt\n0.849141 0.849141 0.849141 Pt\n0.349141 0.650859 0.150859 Pt\n",
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{
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"structure_string": "Ba8 P4 Pd8\n1.0\n6.883524 0.000000 0.000000\n0.000000 7.846143 0.000000\n0.000000 0.000000 9.789546\nBa P Pd\n8 4 8\ndirect\n0.994981 0.239635 0.558844 Ba\n0.494981 0.260365 0.441156 Ba\n0.505019 0.739635 0.558844 Ba\n0.005019 0.760365 0.441156 Ba\n0.005019 0.760365 0.058844 Ba\n0.505019 0.739635 0.941156 Ba\n0.494981 0.260365 0.058844 Ba\n0.994981 0.239635 0.941156 Ba\n0.842350 0.911445 0.750000 P\n0.657650 0.411445 0.750000 P\n0.342350 0.588555 0.250000 P\n0.157650 0.088555 0.250000 P\n0.195172 0.954150 0.750000 Pd\n0.304828 0.454150 0.750000 Pd\n0.062380 0.394718 0.250000 Pd\n0.695172 0.545850 0.250000 Pd\n0.437620 0.894718 0.250000 Pd\n0.804828 0.045850 0.250000 Pd\n0.562380 0.105282 0.750000 Pd\n0.937620 0.605282 0.750000 Pd\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Ba-P-Pd",
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"volume": 528.7247024756581,
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"formula_full": "Ba8 P4 Pd8",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.248000Z",
"spacegroup": 62
},
{
"id": "mp-28895",
"created_at": "2022-09-04T14:39:44.031600Z",
"structure_string": "Ba1 P4 Pd2\n1.0\n-3.447094 3.447094 2.999801\n3.447094 -3.447094 2.999801\n3.447094 3.447094 -2.999801\nBa P Pd\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.273978 0.773978 P\n0.273978 0.500000 0.773978 P\n0.726022 0.500000 0.226022 P\n0.500000 0.726022 0.226022 P\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 7,
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"elements": [
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"volume": 142.5800261022243,
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"formula_full": "Ba1 P4 Pd2",
"formula_reduced": "Ba(P2Pd)2",
"formula_anonymous": "AB2C4",
"energy": -38.58846915,
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"updated_at": "2021-11-28T01:34:39.414000Z",
"spacegroup": 139
},
{
"id": "mp-1227860",
"created_at": "2022-09-04T14:39:17.801212Z",
"structure_string": "Ba4 P4 Pd4\n1.0\n4.911199 3.942027 0.000000\n-4.943110 3.982283 0.000000\n0.000000 0.000000 7.990484\nBa P Pd\n4 4 4\ndirect\n0.188345 0.813216 0.501962 Ba\n0.688345 0.313216 0.998038 Ba\n0.811655 0.186784 0.498038 Ba\n0.311655 0.686784 0.001962 Ba\n0.152197 0.195544 0.827884 P\n0.652197 0.695544 0.672116 P\n0.847803 0.804456 0.172116 P\n0.347803 0.304456 0.327884 P\n0.379814 0.376609 0.622894 Pd\n0.620186 0.623391 0.377106 Pd\n0.120186 0.123391 0.122894 Pd\n0.879814 0.876609 0.877106 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Pd"
],
"chemical_system": "Ba-P-Pd",
"density": 5.848937653613493,
"density_atomic": 0.038464285264355386,
"volume": 311.97771952675083,
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"formula_full": "Ba4 P4 Pd4",
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"energy": -61.45151458,
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"updated_at": "2021-11-28T01:34:43.690000Z",
"spacegroup": 14
},
{
"id": "mp-8236",
"created_at": "2022-09-04T14:39:07.416789Z",
"structure_string": "Ba1 P2 Pd2\n1.0\n4.311163 0.000000 0.000000\n0.000000 4.311163 0.000000\n0.000000 0.000000 5.728365\nBa P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.709606 P\n0.500000 0.500000 0.290394 P\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
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"elements": [
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"P",
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],
"chemical_system": "Ba-P-Pd",
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"density_atomic": 0.04696241641691344,
"volume": 106.46811602733581,
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"formula_full": "Ba1 P2 Pd2",
"formula_reduced": "Ba(PPd)2",
"formula_anonymous": "AB2C2",
"energy": -27.09451176,
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"updated_at": "2021-11-28T01:34:43.794000Z",
"spacegroup": 123
},
{
"id": "mp-28894",
"created_at": "2022-09-04T14:47:20.086385Z",
"structure_string": "Ba8 P12 Pd4\n1.0\n7.258568 0.000000 0.000000\n0.000000 6.547851 0.000000\n0.000000 0.342288 12.985697\nBa P Pd\n8 12 4\ndirect\n0.255319 0.621775 0.334924 Ba\n0.244681 0.621775 0.834924 Ba\n0.744681 0.378225 0.665076 Ba\n0.755319 0.378225 0.165076 Ba\n0.749115 0.836039 0.439040 Ba\n0.249115 0.163961 0.060960 Ba\n0.250885 0.163961 0.560960 Ba\n0.750885 0.836039 0.939040 Ba\n0.090254 0.686124 0.595097 P\n0.590254 0.313876 0.904903 P\n0.909746 0.313876 0.404903 P\n0.409746 0.686124 0.095097 P\n0.390695 0.682976 0.594360 P\n0.890695 0.317024 0.905640 P\n0.609305 0.317024 0.405640 P\n0.572733 0.903630 0.192166 P\n0.927267 0.903630 0.692166 P\n0.427267 0.096370 0.807834 P\n0.072733 0.096370 0.307834 P\n0.109305 0.682976 0.094360 P\n0.900783 0.883302 0.192642 Pd\n0.099217 0.116698 0.807358 Pd\n0.400783 0.116698 0.307358 Pd\n0.599217 0.883302 0.692642 Pd\n",
"nsites": 24,
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"elements": [
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"density": 5.101150164623087,
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"volume": 617.1844892908745,
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"formula_full": "Ba8 P12 Pd4",
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"updated_at": "2021-11-28T01:38:02.212000Z",
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},
{
"id": "mp-1183319",
"created_at": "2022-09-04T14:42:15.287680Z",
"structure_string": "Ba3 Pm1\n1.0\n5.946564 0.000000 0.000000\n0.000000 5.946564 0.000000\n0.000000 0.000000 5.946564\nBa Pm\n3 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Pm\n",
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"volume": 210.28015672824793,
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"formula_full": "Ba3 Pm1",
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"updated_at": "2021-11-28T01:35:45.048000Z",
"spacegroup": 221
},
{
"id": "mp-1183365",
"created_at": "2022-09-04T14:39:43.116997Z",
"structure_string": "Ba3 Pm1\n1.0\n-2.965893 2.965893 5.991547\n2.965893 -2.965893 5.991547\n2.965893 2.965893 -5.991547\nBa Pm\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Pm\n",
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"formula_full": "Ba3 Pm1",
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{
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{
"id": "mp-1183371",
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"structure_string": "Ba6 Pm2\n1.0\n4.259234 -7.377209 0.000000\n4.259234 7.377209 0.000000\n0.000000 0.000000 6.762767\nBa Pm\n6 2\ndirect\n0.827444 0.172556 0.750000 Ba\n0.345112 0.172556 0.750000 Ba\n0.827444 0.654888 0.750000 Ba\n0.172556 0.827444 0.250000 Ba\n0.654888 0.827444 0.250000 Ba\n0.172556 0.345112 0.250000 Ba\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n",
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{
"id": "mp-1183326",
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"structure_string": "Ba1 Pm3\n1.0\n-2.708781 2.708781 5.233535\n2.708781 -2.708781 5.233535\n2.708781 2.708781 -5.233535\nBa Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n",
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{
"id": "mp-1096110",
"created_at": "2022-09-04T14:46:22.944671Z",
"structure_string": "Ba2 Zn1 Pd1\n1.0\n-6.024525 6.559923 9.278644\n6.024525 -6.559923 9.278644\n6.024525 6.559923 -9.278644\nBa Zn Pd\n2 1 1\ndirect\n0.000000 0.266552 0.266552 Ba\n0.000000 0.733448 0.733448 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
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"volume": 1466.7836357829788,
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"formula_full": "Ba2 Zn1 Pd1",
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}
]
}