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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=681",
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{
"id": "jvasp-15530",
"created_at": "2022-09-04T14:35:42.240245Z",
"updated_at": "2022-09-04T14:35:42.240275Z",
"structure_string": "Th1 Si2 Ru2\n1.0\n3.938392 -0.000000 -1.556586\n-0.615216 3.890043 -1.556586\n-0.007127 -0.008342 5.742617\nTh Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.632411 0.632412 0.264824 Si\n0.367586 0.367587 0.735174 Si\n0.749999 0.250000 0.499999 Ru\n0.249999 0.750000 0.499999 Ru\n",
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{
"id": "jvasp-93271",
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"updated_at": "2022-09-04T14:36:01.199421Z",
"structure_string": "Th1 Si2 Rh2\n1.0\n3.870727 -0.000000 -1.462742\n-0.552768 3.831054 -1.462742\n0.004474 0.005166 5.864594\nTh Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621837 0.621836 0.243675 Si\n0.378163 0.378164 0.756325 Si\n0.249999 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
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],
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"volume": 87.02435206454341,
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"formula_full": "Th1 Si2 Rh2",
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},
{
"id": "jvasp-15377",
"created_at": "2022-09-04T14:36:55.701258Z",
"updated_at": "2022-09-04T14:36:55.701285Z",
"structure_string": "Th1 Si2 Rh2\n1.0\n3.870727 -0.000000 -1.462742\n-0.552768 3.831054 -1.462742\n0.004473 0.005166 5.864593\nTh Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621837 0.621836 0.243675 Si\n0.378163 0.378164 0.756325 Si\n0.249999 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
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"elements": [
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],
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"volume": 87.02433163173566,
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"formula_full": "Th1 Si2 Rh2",
"formula_reduced": "Th(SiRh)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-15417",
"created_at": "2022-09-04T14:36:51.779351Z",
"updated_at": "2022-09-04T14:36:51.779372Z",
"structure_string": "Th1 Si2 Pt2\n1.0\n3.994630 -0.000000 -1.593082\n-0.635331 3.943783 -1.593082\n0.006375 0.007484 5.820764\nTh Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.620583 0.620583 0.241167 Si\n0.379416 0.379416 0.758832 Si\n0.749999 0.249999 0.500000 Pt\n0.249999 0.749999 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Th",
"density": 12.271560642010835,
"density_atomic": 0.05446901871696829,
"volume": 91.79530158200538,
"volume_molar": 11.056084544669742,
"formula_full": "Th1 Si2 Pt2",
"formula_reduced": "Th(SiPt)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.97755512,
"spacegroup": 139
},
{
"id": "jvasp-15589",
"created_at": "2022-09-04T14:36:56.730878Z",
"updated_at": "2022-09-04T14:36:56.730893Z",
"structure_string": "Th1 Si2 Pd2\n1.0\n3.963159 0.000000 -1.541107\n-0.599272 3.917590 -1.541107\n-0.001651 -0.001923 5.862201\nTh Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.618448 0.618448 0.236895 Si\n0.381553 0.381553 0.763104 Si\n0.750000 0.250000 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"Si",
"Pd"
],
"chemical_system": "Pd-Si-Th",
"density": 9.14366399288286,
"density_atomic": 0.05494914175301847,
"volume": 90.99323193205906,
"volume_molar": 10.959481018043729,
"formula_full": "Th1 Si2 Pd2",
"formula_reduced": "Th(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.58571484,
"spacegroup": 139
},
{
"id": "jvasp-86326",
"created_at": "2022-09-04T14:36:01.573513Z",
"updated_at": "2022-09-04T14:36:01.573536Z",
"structure_string": "Th1 Si2 Os2\n1.0\n3.960354 0.000000 -1.555484\n-0.610937 3.912947 -1.555484\n-0.023166 -0.027064 5.760406\nTh Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630798 0.630800 0.261601 Si\n0.369199 0.369202 0.738401 Si\n0.749999 0.250001 0.500001 Os\n0.249999 0.750001 0.500001 Os\n",
"nsites": 5,
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"elements": [
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"density": 12.485171868794994,
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"volume": 88.93358525018564,
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"formula_full": "Th1 Si2 Os2",
"formula_reduced": "Th(SiOs)2",
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"spacegroup": 139
},
{
"id": "jvasp-85898",
"created_at": "2022-09-04T14:36:22.136681Z",
"updated_at": "2022-09-04T14:36:22.136708Z",
"structure_string": "Th1 Si2 Os2\n1.0\n3.960354 0.000000 -1.555484\n-0.610937 3.912947 -1.555484\n-0.023166 -0.027064 5.760406\nTh Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630798 0.630800 0.261601 Si\n0.369199 0.369202 0.738401 Si\n0.749999 0.250001 0.500001 Os\n0.249999 0.750001 0.500001 Os\n",
"nsites": 5,
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"elements": [
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],
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"density": 12.485171868794994,
"density_atomic": 0.05622172979908693,
"volume": 88.93358525018564,
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"formula_full": "Th1 Si2 Os2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-15621",
"created_at": "2022-09-04T14:36:42.805686Z",
"updated_at": "2022-09-04T14:36:42.805715Z",
"structure_string": "Th1 Si2 Ni2\n1.0\n3.826021 -0.000000 -1.502146\n-0.589762 3.780293 -1.502146\n-0.011164 -0.013040 5.595145\nTh Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630521 0.630520 0.261041 Si\n0.369480 0.369479 0.738959 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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"Ni"
],
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"density": 8.338032998566657,
"density_atomic": 0.061900050454466865,
"volume": 80.77537842522368,
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"formula_full": "Th1 Si2 Ni2",
"formula_reduced": "Th(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.33243352,
"spacegroup": 139
},
{
"id": "jvasp-92535",
"created_at": "2022-09-04T14:36:08.060547Z",
"updated_at": "2022-09-04T14:36:08.060580Z",
"structure_string": "Th1 Si2 Ir2\n1.0\n4.270882 -0.000000 -0.000000\n0.000000 4.270882 0.000000\n-2.135441 -2.135441 4.989381\nTh Si Ir\n1 2 2\ndirect\n0.022996 0.022996 0.045992 Th\n0.773000 0.273001 0.546000 Si\n0.273001 0.773000 0.546000 Si\n0.656599 0.656599 0.313198 Ir\n0.389404 0.389404 0.778807 Ir\n",
"nsites": 5,
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"elements": [
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"Ir"
],
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"density": 12.273034338450824,
"density_atomic": 0.054939941225295635,
"volume": 91.00847013097791,
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"formula_full": "Th1 Si2 Ir2",
"formula_reduced": "Th(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.842747,
"spacegroup": 139
},
{
"id": "jvasp-15664",
"created_at": "2022-09-04T14:36:38.910528Z",
"updated_at": "2022-09-04T14:36:38.910556Z",
"structure_string": "Th1 Si2 Cu2\n1.0\n3.867239 0.000000 -1.486194\n-0.571149 3.824830 -1.486194\n-0.011282 -0.013092 5.745230\nTh Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621798 0.621798 0.243598 Si\n0.378202 0.378202 0.756403 Si\n0.750000 0.250000 0.500001 Cu\n0.250000 0.750000 0.500001 Cu\n",
"nsites": 5,
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"volume": 84.83026124531455,
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"formula_full": "Th1 Si2 Cu2",
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"energy_above_hull": 1.7679987399999997,
"spacegroup": 139
},
{
"id": "jvasp-17378",
"created_at": "2022-09-04T14:38:28.229848Z",
"updated_at": "2022-09-04T14:38:28.229874Z",
"structure_string": "Th1 Si2 Au2\n1.0\n4.110347 0.000000 -1.575821\n-0.604137 4.065706 -1.575821\n-0.084943 -0.098496 5.927031\nTh Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.615281 0.615281 0.230561 Si\n0.384720 0.384719 0.769440 Si\n0.750001 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
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],
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"formula_full": "Th1 Si2 Au2",
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},
{
"id": "jvasp-15816",
"created_at": "2022-09-04T14:36:16.860327Z",
"updated_at": "2022-09-04T14:36:16.860352Z",
"structure_string": "Th1 Si2\n1.0\n2.084033 -3.609652 0.000000\n2.084033 3.609652 -0.000000\n-0.000000 -0.000000 4.167952\nTh Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.666666 0.333332 0.500000 Si\n0.333332 0.666666 0.500000 Si\n",
"nsites": 3,
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"volume": 62.70795390514426,
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"formula_full": "Th1 Si2",
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"spacegroup": 191
}
]
}