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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3540",
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"results": [
{
"id": "jvasp-12891",
"created_at": "2022-09-04T14:38:34.810792Z",
"updated_at": "2022-09-04T14:38:34.810810Z",
"structure_string": "Pt4 I12\n1.0\n6.620346 0.000000 1.299752\n3.310173 6.060847 0.649876\n-0.056833 0.000000 13.461262\nPt I\n4 12\ndirect\n0.095058 0.809884 0.750000 Pt\n0.904942 0.190116 0.250000 Pt\n0.500000 0.500000 0.500000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.802564 0.131050 0.637773 I\n0.066387 0.131050 0.862226 I\n0.197436 0.868951 0.362226 I\n0.933613 0.868951 0.137774 I\n0.855022 0.509654 0.378892 I\n0.635325 0.509654 0.121108 I\n0.144979 0.490346 0.621108 I\n0.364676 0.490346 0.878892 I\n0.259028 0.198108 0.122752 I\n0.542865 0.198108 0.377248 I\n0.740973 0.801893 0.877248 I\n0.457135 0.801893 0.622752 I\n",
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"elements": [
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"volume": 540.5795555954052,
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"formula_full": "Pt4 I12",
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{
"id": "jvasp-12896",
"created_at": "2022-09-04T14:38:30.605583Z",
"updated_at": "2022-09-04T14:38:30.605611Z",
"structure_string": "Pt4 I8\n1.0\n0.000000 6.711074 0.050032\n8.701878 0.000000 0.000000\n0.000000 -1.510726 -6.777316\nPt I\n4 8\ndirect\n0.239024 0.626957 0.496829 Pt\n0.760975 0.126957 0.003172 Pt\n0.760975 0.373043 0.503172 Pt\n0.239024 0.873043 -0.003171 Pt\n0.463861 0.833210 0.733405 I\n0.536138 0.333210 0.766596 I\n0.536138 0.166791 0.266595 I\n0.463861 0.666791 0.233405 I\n0.984193 0.914481 0.229377 I\n0.015806 0.414481 0.270623 I\n0.015806 0.085519 0.770623 I\n0.984193 0.585519 0.729378 I\n",
"nsites": 12,
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"elements": [
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"I"
],
"chemical_system": "I-Pt",
"density": 7.545906675882588,
"density_atomic": 0.030369721684435,
"volume": 395.1303908771151,
"volume_molar": 19.82942360346506,
"formula_full": "Pt4 I8",
"formula_reduced": "PtI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.54438465,
"spacegroup": 14
},
{
"id": "jvasp-3957",
"created_at": "2022-09-04T14:36:35.865016Z",
"updated_at": "2022-09-04T14:36:35.865027Z",
"structure_string": "Rb2 Pt1 I6\n1.0\n6.868405 0.000000 3.965475\n2.289468 6.475594 3.965475\n0.000000 0.000000 7.930950\nRb Pt I\n2 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pt\n0.758419 0.241581 0.241581 I\n0.241581 0.758419 0.758419 I\n0.758419 0.241581 0.758419 I\n0.241581 0.758419 0.241580 I\n0.758419 0.758419 0.241580 I\n0.241581 0.241581 0.758419 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"I"
],
"chemical_system": "I-Pt-Rb",
"density": 5.307430181312189,
"density_atomic": 0.025514190264670642,
"volume": 352.74488065812733,
"volume_molar": 23.603103596584937,
"formula_full": "Rb2 Pt1 I6",
"formula_reduced": "Rb2PtI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-901",
"created_at": "2022-09-04T14:37:47.560661Z",
"updated_at": "2022-09-04T14:37:47.560691Z",
"structure_string": "Ir1\n1.0\n2.378164 0.000000 1.373034\n0.792722 2.242154 1.373034\n0.000000 0.000000 2.746067\nIr\n1\ndirect\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 21.79829492268868,
"density_atomic": 0.06829385558914637,
"volume": 14.64260571281797,
"volume_molar": 8.817983269576995,
"formula_full": "Ir1",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"energy_above_hull": 1.0999999995320309e-06,
"spacegroup": 225
},
{
"id": "jvasp-14588",
"created_at": "2022-09-04T14:35:56.380369Z",
"updated_at": "2022-09-04T14:35:56.380395Z",
"structure_string": "Ir1\n1.0\n2.378171 0.000000 1.373038\n0.792724 2.242160 1.373038\n0.000000 0.000000 2.746074\nIr\n1\ndirect\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 21.79811686329485,
"density_atomic": 0.06829329773071884,
"volume": 14.642725321934375,
"volume_molar": 8.818055299870512,
"formula_full": "Ir1",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"energy_above_hull": 1.0999999995320309e-06,
"spacegroup": 225
},
{
"id": "jvasp-78451",
"created_at": "2022-09-04T14:37:08.915582Z",
"updated_at": "2022-09-04T14:37:08.915602Z",
"structure_string": "Ir2\n1.0\n2.601856 0.000000 0.000000\n0.000000 2.665039 0.000000\n0.000000 -0.000000 4.615065\nIr\n2\ndirect\n0.000000 0.249981 0.250000 Ir\n0.000000 0.750019 0.749999 Ir\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 19.948316039991393,
"density_atomic": 0.0624978889272587,
"volume": 32.001080905753476,
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"formula_full": "Ir2",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"energy_above_hull": 0.5058210999999995,
"spacegroup": 191
},
{
"id": "jvasp-1945",
"created_at": "2022-09-04T14:36:45.063110Z",
"updated_at": "2022-09-04T14:36:45.063135Z",
"structure_string": "Rb1 I1\n1.0\n4.477162 0.000000 2.584892\n1.492387 4.221110 2.584892\n-0.000000 -0.000000 5.169782\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.499999 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"I"
],
"chemical_system": "I-Rb",
"density": 3.6094846372329443,
"density_atomic": 0.020470492276591583,
"volume": 97.70160741503223,
"volume_molar": 29.418641616579194,
"formula_full": "Rb1 I1",
"formula_reduced": "RbI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-8590",
"created_at": "2022-09-04T14:37:04.231969Z",
"updated_at": "2022-09-04T14:37:04.232000Z",
"structure_string": "Rb1 I1\n1.0\n4.377275 0.000000 -0.000000\n-0.000000 4.377275 0.000000\n0.000000 0.000000 4.377275\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"I"
],
"chemical_system": "I-Rb",
"density": 4.204703837405906,
"density_atomic": 0.023846162563239563,
"volume": 83.87093708247768,
"volume_molar": 25.254129439189217,
"formula_full": "Rb1 I1",
"formula_reduced": "RbI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0015,
"spacegroup": 221
},
{
"id": "jvasp-12899",
"created_at": "2022-09-04T14:38:33.425520Z",
"updated_at": "2022-09-04T14:38:33.425546Z",
"structure_string": "Rb4 I12\n1.0\n6.603756 0.000000 0.000000\n0.000000 9.734874 0.000000\n0.000000 0.000000 10.755909\nRb I\n4 12\ndirect\n0.250000 0.474845 0.830617 Rb\n0.750000 0.525154 0.169383 Rb\n0.750000 0.974845 0.669383 Rb\n0.250000 0.025155 0.330617 Rb\n0.250000 0.542730 0.374474 I\n0.750000 0.457269 0.625527 I\n0.750000 0.042730 0.125527 I\n0.250000 0.957269 0.874474 I\n0.250000 0.738896 0.578736 I\n0.750000 0.261104 0.421265 I\n0.750000 0.238896 0.921265 I\n0.250000 0.761103 0.078735 I\n0.250000 0.156523 0.655085 I\n0.750000 0.843477 0.344915 I\n0.750000 0.656522 0.844915 I\n0.250000 0.343477 0.155085 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"I"
],
"chemical_system": "I-Rb",
"density": 4.47811643359675,
"density_atomic": 0.023139368926609744,
"volume": 691.4622456103531,
"volume_molar": 26.02551858307024,
"formula_full": "Rb4 I12",
"formula_reduced": "RbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-107868",
"created_at": "2022-09-04T14:36:51.543820Z",
"updated_at": "2022-09-04T14:36:51.543837Z",
"structure_string": "Rb3 Sb1 I6\n1.0\n7.806917 -0.000000 4.507325\n2.602306 7.360432 4.507325\n-0.000000 -0.000000 9.014651\nRb Sb I\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.763840 0.236160 0.236161 I\n0.236160 0.236160 0.763840 I\n0.236161 0.763840 0.763840 I\n0.236161 0.763840 0.236161 I\n0.763840 0.236160 0.763840 I\n0.763841 0.763840 0.236161 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"I"
],
"chemical_system": "I-Rb-Sb",
"density": 3.6531375616578297,
"density_atomic": 0.019304929292521707,
"volume": 518.0024152626021,
"volume_molar": 31.194834587313622,
"formula_full": "Rb3 Sb1 I6",
"formula_reduced": "Rb3SbI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104539",
"created_at": "2022-09-04T14:36:48.182655Z",
"updated_at": "2022-09-04T14:36:48.182674Z",
"structure_string": "Rb2 Tl1 Sb1 I6\n1.0\n7.644665 -0.000000 4.413649\n2.548222 7.207459 4.413649\n-0.000000 -0.000000 8.827298\nRb Tl Sb I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.758566 0.241434 0.241434 I\n0.241433 0.241434 0.758567 I\n0.241433 0.758567 0.758567 I\n0.241433 0.758567 0.241434 I\n0.758566 0.241434 0.758567 I\n0.758566 0.758567 0.241434 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
"Sb",
"I"
],
"chemical_system": "I-Rb-Sb-Tl",
"density": 4.296708230648001,
"density_atomic": 0.020560400614273555,
"volume": 486.37184593853414,
"volume_molar": 29.28999717942887,
"formula_full": "Rb2 Tl1 Sb1 I6",
"formula_reduced": "Rb2TlSbI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105689",
"created_at": "2022-09-04T14:36:03.628344Z",
"updated_at": "2022-09-04T14:36:03.628362Z",
"structure_string": "Rb3 Sc1 I6\n1.0\n7.623026 -0.000000 4.401156\n2.541009 7.187058 4.401156\n0.000000 0.000000 8.802312\nRb Sc I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.770041 0.229960 0.229960 I\n0.229960 0.229960 0.770040 I\n0.229960 0.770040 0.770040 I\n0.229960 0.770040 0.229960 I\n0.770041 0.229960 0.770040 I\n0.770041 0.770040 0.229960 I\n",
"nsites": 10,
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"elements": [
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"Sc",
"I"
],
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"density": 3.659482438821617,
"density_atomic": 0.020735986008281578,
"volume": 482.2534118226247,
"volume_molar": 29.041979279860943,
"formula_full": "Rb3 Sc1 I6",
"formula_reduced": "Rb3ScI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}