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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4207",
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"results": [
{
"id": "jvasp-45139",
"created_at": "2022-09-04T14:38:33.770286Z",
"updated_at": "2022-09-04T14:38:33.770314Z",
"structure_string": "Na6 Mn2 As2 C2 O14\n1.0\n0.000000 5.174364 -0.030519\n6.893665 0.000000 0.000000\n0.000000 0.009540 -9.214777\nNa Mn As C O\n6 2 2 2 14\ndirect\n0.239741 0.749999 0.081229 Na\n0.755060 0.001701 0.250237 Na\n0.755060 0.498299 0.250237 Na\n0.244939 0.501701 0.749763 Na\n0.244939 -0.001701 0.749763 Na\n0.760258 0.250000 0.918771 Na\n0.222968 0.250000 0.354005 Mn\n0.777031 0.749999 0.645995 Mn\n0.694395 0.250000 0.588012 As\n0.305604 0.749999 0.411989 As\n0.264531 0.250000 0.056380 C\n0.735468 0.749999 0.943621 C\n0.529171 0.749999 0.863947 O\n0.777686 0.053035 0.693253 O\n0.777686 0.446965 0.693253 O\n0.361382 0.250000 0.567635 O\n0.173939 0.749999 0.583446 O\n0.826061 0.250000 0.416554 O\n0.716399 0.749999 0.084053 O\n0.222313 0.553034 0.306747 O\n0.222313 0.946965 0.306747 O\n0.470828 0.250000 0.136054 O\n0.038405 0.250000 0.118752 O\n0.961594 0.749999 0.881248 O\n0.638617 0.749999 0.432366 O\n0.283600 0.250000 0.915947 O\n",
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],
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"volume": 328.69214783412525,
"volume_molar": 7.613193772937813,
"formula_full": "Na6 Mn2 As2 C2 O14",
"formula_reduced": "Na3MnAsCO7",
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"spacegroup": 11
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{
"id": "jvasp-44574",
"created_at": "2022-09-04T14:38:10.614672Z",
"updated_at": "2022-09-04T14:38:10.614693Z",
"structure_string": "Na4 Mn2 As2 C2 O14\n1.0\n0.000000 5.311906 -0.108412\n6.650796 0.000000 0.000000\n0.000000 -0.156654 -9.118072\nNa Mn As C O\n4 2 2 2 14\ndirect\n0.785039 0.498603 0.221187 Na\n0.785039 0.001398 0.221187 Na\n0.214962 0.501398 0.778812 Na\n0.214962 0.998603 0.778812 Na\n0.228661 0.250000 0.349218 Mn\n0.771340 0.750000 0.650782 Mn\n0.304932 0.750000 0.428082 As\n0.695069 0.250000 0.571918 As\n0.302543 0.250000 0.072254 C\n0.697459 0.750000 0.927746 C\n0.497523 0.750000 0.848154 O\n0.773898 0.044577 0.675853 O\n0.773898 0.455423 0.675853 O\n0.162326 0.750000 0.595585 O\n0.367489 0.250000 0.545784 O\n0.632513 0.750000 0.454215 O\n0.089114 0.250000 0.150364 O\n0.226103 0.544578 0.324146 O\n0.226103 0.955423 0.324146 O\n0.502478 0.250000 0.151845 O\n0.910887 0.750000 0.849635 O\n0.704212 0.750000 0.065387 O\n0.837676 0.250000 0.404415 O\n0.295789 0.250000 0.934613 O\n",
"nsites": 24,
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"elements": [
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"As",
"C",
"O"
],
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"density": 3.090278450661784,
"density_atomic": 0.07447867824391995,
"volume": 322.2398754365547,
"volume_molar": 8.085724534849163,
"formula_full": "Na4 Mn2 As2 C2 O14",
"formula_reduced": "Na2MnAsCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.712666790948276,
"spacegroup": 11
},
{
"id": "jvasp-75790",
"created_at": "2022-09-04T14:36:17.044051Z",
"updated_at": "2022-09-04T14:36:17.044084Z",
"structure_string": "Zr1 As1 Cl1\n1.0\n-0.000000 3.154960 3.154960\n3.154960 -0.000000 3.154960\n3.154960 3.154960 0.000000\nZr As Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
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"elements": [
"Zr",
"As",
"Cl"
],
"chemical_system": "As-Cl-Zr",
"density": 5.329973396361053,
"density_atomic": 0.047764989515354565,
"volume": 62.80750881428788,
"volume_molar": 12.607855295486075,
"formula_full": "Zr1 As1 Cl1",
"formula_reduced": "ZrAsCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.924853439166667,
"spacegroup": 216
},
{
"id": "jvasp-75719",
"created_at": "2022-09-04T14:36:10.470715Z",
"updated_at": "2022-09-04T14:36:10.470737Z",
"structure_string": "Tc1 As1 Cl1\n1.0\n0.000000 3.134174 3.134174\n3.134174 0.000000 3.134174\n3.134174 3.134174 -0.000000\nTc As Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Cl\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "As-Cl-Tc",
"density": 5.619459820721454,
"density_atomic": 0.04872164560446966,
"volume": 61.57427489938443,
"volume_molar": 12.36029835463426,
"formula_full": "Tc1 As1 Cl1",
"formula_reduced": "TcAsCl",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-75447",
"created_at": "2022-09-04T14:35:50.644311Z",
"updated_at": "2022-09-04T14:35:50.644336Z",
"structure_string": "Tc2 As1 Cl1\n1.0\n0.000000 3.169725 3.169725\n3.169725 0.000000 3.169725\n3.169725 3.169725 -0.000000\nTc As Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
],
"chemical_system": "As-Cl-Tc",
"density": 7.987430705141152,
"density_atomic": 0.06280080924949903,
"volume": 63.69344675334592,
"volume_molar": 9.589272545955353,
"formula_full": "Tc2 As1 Cl1",
"formula_reduced": "Tc2AsCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5238397043750003,
"spacegroup": 216
},
{
"id": "jvasp-75889",
"created_at": "2022-09-04T14:35:56.312502Z",
"updated_at": "2022-09-04T14:35:56.312531Z",
"structure_string": "As1 Ru2 Cl1\n1.0\n0.000000 3.156610 3.156610\n3.156610 0.000000 3.156610\n3.156610 3.156610 0.000000\nAs Ru Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ru\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 4,
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"elements": [
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"Ru",
"Cl"
],
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"density": 8.249481049386409,
"density_atomic": 0.06358683542276189,
"volume": 62.906102708299564,
"volume_molar": 9.47073512930993,
"formula_full": "As1 Ru2 Cl1",
"formula_reduced": "AsRu2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.040879204375,
"spacegroup": 216
},
{
"id": "jvasp-75528",
"created_at": "2022-09-04T14:36:00.089319Z",
"updated_at": "2022-09-04T14:36:00.089348Z",
"structure_string": "Re1 As1 Cl1\n1.0\n0.000000 3.116397 3.116397\n3.116397 -0.000000 3.116397\n3.116397 3.116397 -0.000000\nRe As Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Cl\n",
"nsites": 3,
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"elements": [
"Re",
"As",
"Cl"
],
"chemical_system": "As-Cl-Re",
"density": 8.135888213379136,
"density_atomic": 0.04956018584314656,
"volume": 60.532460662975005,
"volume_molar": 12.15116662205328,
"formula_full": "Re1 As1 Cl1",
"formula_reduced": "ReAsCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3460546058333334,
"spacegroup": 216
},
{
"id": "jvasp-102417",
"created_at": "2022-09-04T14:36:41.588923Z",
"updated_at": "2022-09-04T14:36:41.588938Z",
"structure_string": "Rb2 Tl1 As1 Cl6\n1.0\n6.664411 -0.000000 3.847700\n2.221470 6.283267 3.847700\n-0.000000 -0.000000 7.695399\nRb Tl As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.769841 0.230159 0.230159 Cl\n0.230159 0.230159 0.769841 Cl\n0.230159 0.769841 0.769841 Cl\n0.230159 0.769841 0.230159 Cl\n0.769841 0.230159 0.769841 Cl\n0.769841 0.769841 0.230159 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
"As",
"Cl"
],
"chemical_system": "As-Cl-Rb-Tl",
"density": 3.416307942462049,
"density_atomic": 0.031032843407426253,
"volume": 322.2392440393319,
"volume_molar": 19.405700860008476,
"formula_full": "Rb2 Tl1 As1 Cl6",
"formula_reduced": "Rb2TlAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107422",
"created_at": "2022-09-04T14:36:59.421502Z",
"updated_at": "2022-09-04T14:36:59.421529Z",
"structure_string": "Rb3 As1 Cl6\n1.0\n6.745580 -0.000000 3.894562\n2.248527 6.359794 3.894562\n-0.000000 -0.000000 7.789125\nRb As Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 As\n0.772960 0.227040 0.227040 Cl\n0.227040 0.227040 0.772959 Cl\n0.227041 0.772959 0.772959 Cl\n0.227041 0.772959 0.227040 Cl\n0.772960 0.227040 0.772959 Cl\n0.772960 0.772959 0.227039 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.703530695768198,
"density_atomic": 0.029926021297072485,
"volume": 334.1573509131416,
"volume_molar": 20.123426031876537,
"formula_full": "Rb3 As1 Cl6",
"formula_reduced": "Rb3AsCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-75613",
"created_at": "2022-09-04T14:35:46.014044Z",
"updated_at": "2022-09-04T14:35:46.014074Z",
"structure_string": "As1 Pt1 Cl1\n1.0\n-0.000000 3.144731 3.144731\n3.144731 0.000000 3.144731\n3.144731 3.144731 -0.000000\nAs Pt Cl\n1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
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],
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"density": 8.15494343798568,
"density_atomic": 0.04823260889399696,
"volume": 62.198584501063145,
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"formula_full": "As1 Pt1 Cl1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-75494",
"created_at": "2022-09-04T14:36:08.771408Z",
"updated_at": "2022-09-04T14:36:08.771438Z",
"structure_string": "As1 Pd1 Cl1\n1.0\n-0.000000 3.164373 3.164373\n3.164373 0.000000 3.164373\n3.164373 3.164373 0.000000\nAs Pd Cl\n1 1 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
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"density": 5.6807352762414,
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"formula_full": "As1 Pd1 Cl1",
"formula_reduced": "AsPdCl",
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"spacegroup": 216
},
{
"id": "jvasp-75814",
"created_at": "2022-09-04T14:35:53.874683Z",
"updated_at": "2022-09-04T14:35:53.874711Z",
"structure_string": "As1 P2 Cl1\n1.0\n3.598159 -0.000000 -0.000000\n0.000000 3.598159 0.000000\n-0.000000 -0.000000 6.120964\nAs P Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.500000 0.000000 P\n0.500000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 Cl\n",
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"formula_full": "As1 P2 Cl1",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
}
]
}