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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1537",
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"results": [
{
"id": "jvasp-85676",
"created_at": "2022-09-04T14:35:49.599601Z",
"updated_at": "2022-09-04T14:35:49.599619Z",
"structure_string": "Rb6 Mn2 H10\n1.0\n-3.926057 3.926057 5.991838\n3.926057 -3.926057 5.991838\n3.926057 3.926057 -5.991838\nRb Mn H\n6 2 10\ndirect\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.181146 0.681146 0.862291 Rb\n0.818855 0.318854 0.137710 Rb\n0.681146 0.818855 0.500000 Rb\n0.318855 0.181146 0.500000 Rb\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.286898 0.534630 0.500000 H\n0.034630 0.786898 0.500000 H\n0.786898 0.286898 0.752269 H\n0.534630 0.034630 0.247732 H\n0.465370 0.965371 0.752269 H\n0.965371 0.213102 0.500000 H\n0.213102 0.713102 0.247732 H\n0.500000 0.500000 0.000000 H\n0.713102 0.465370 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "H-Mn-Rb",
"density": 2.844175762951209,
"density_atomic": 0.0487235865997403,
"volume": 369.4309318373525,
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"formula_full": "Rb6 Mn2 H10",
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"spacegroup": 140
},
{
"id": "jvasp-97855",
"created_at": "2022-09-04T14:35:54.610324Z",
"updated_at": "2022-09-04T14:35:54.610349Z",
"structure_string": "Rb4 Mn4 F16\n1.0\n5.975074 0.000000 -0.081339\n0.000000 7.810571 0.000000\n0.017458 0.000000 7.860047\nRb Mn F\n4 4 16\ndirect\n0.521498 0.706255 0.252019 Rb\n0.478501 0.206255 0.247981 Rb\n0.478501 0.293745 0.747981 Rb\n0.521498 0.793745 0.752019 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.288340 0.567338 0.546426 F\n0.711660 0.432662 0.453575 F\n0.080667 0.514921 0.233891 F\n0.919332 0.014921 0.266109 F\n0.919332 0.485079 0.766110 F\n0.080667 0.985079 0.733891 F\n0.899139 0.731545 0.499393 F\n0.288997 0.944025 0.446565 F\n0.100860 0.268455 0.500607 F\n0.899139 0.768455 0.999393 F\n0.288339 0.932661 0.046425 F\n0.288997 0.555975 0.946565 F\n0.711002 0.055975 0.553435 F\n0.711660 0.067338 0.953575 F\n0.100860 0.231545 0.000607 F\n0.711002 0.444025 0.053435 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "F-Mn-Rb",
"density": 3.9183291050098594,
"density_atomic": 0.06542547655827459,
"volume": 366.8295786676182,
"volume_molar": 9.204580656949542,
"formula_full": "Rb4 Mn4 F16",
"formula_reduced": "RbMnF4",
"formula_anonymous": "ABC4",
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"spacegroup": 14
},
{
"id": "jvasp-34435",
"created_at": "2022-09-04T14:38:14.371299Z",
"updated_at": "2022-09-04T14:38:14.371322Z",
"structure_string": "Rb2 Mn1 F5\n1.0\n6.005975 -0.000000 -0.000000\n-0.000000 6.005975 -0.000000\n0.000000 0.000000 4.130727\nRb Mn F\n2 1 5\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 F\n0.777476 0.777476 0.000000 F\n0.777476 0.222524 0.000000 F\n0.222524 0.222524 0.000000 F\n0.222524 0.777476 0.000000 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "F-Mn-Rb",
"density": 3.5758459871378916,
"density_atomic": 0.053690376990680376,
"volume": 149.00249259543563,
"volume_molar": 11.21642480000714,
"formula_full": "Rb2 Mn1 F5",
"formula_reduced": "Rb2MnF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0816286468283045,
"spacegroup": 123
},
{
"id": "jvasp-22601",
"created_at": "2022-09-04T14:36:17.890728Z",
"updated_at": "2022-09-04T14:36:17.890759Z",
"structure_string": "Rb2 Mn1 F6\n1.0\n5.165493 0.000000 2.982299\n1.721831 4.870074 2.982299\n0.000000 0.000000 5.964598\nRb Mn F\n2 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.217131 0.782868 0.782870 F\n0.217131 0.782868 0.217132 F\n0.782869 0.217131 0.782870 F\n0.782869 0.217131 0.217132 F\n0.782869 0.782868 0.217132 F\n0.217131 0.217131 0.782869 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
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],
"chemical_system": "F-Mn-Rb",
"density": 3.7611948068021057,
"density_atomic": 0.0599810402201202,
"volume": 150.04741443248622,
"volume_molar": 10.040073893183196,
"formula_full": "Rb2 Mn1 F6",
"formula_reduced": "Rb2MnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0760954952362706,
"spacegroup": 225
},
{
"id": "jvasp-121021",
"created_at": "2022-09-04T14:38:52.336434Z",
"updated_at": "2022-09-04T14:38:52.336462Z",
"structure_string": "Rb1 Mn1 F2\n1.0\n3.350266 0.000000 0.000000\n-0.000000 3.350266 -0.000000\n0.000000 -0.000000 6.702214\nRb Mn F\n1 1 2\ndirect\n0.000000 0.000000 0.282866 Rb\n0.500001 0.500001 0.795200 Mn\n0.000000 0.000000 0.822798 F\n0.500001 0.500001 0.099134 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "F-Mn-Rb",
"density": 3.937980229644043,
"density_atomic": 0.053172015270192274,
"volume": 75.22754177501265,
"volume_molar": 11.325771139947662,
"formula_full": "Rb1 Mn1 F2",
"formula_reduced": "RbMnF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4681359359605911,
"spacegroup": 99
},
{
"id": "jvasp-121020",
"created_at": "2022-09-04T14:38:53.392819Z",
"updated_at": "2022-09-04T14:38:53.392847Z",
"structure_string": "Rb1 Mn1 F1\n1.0\n6.567201 0.334188 0.000000\n-0.205575 4.070265 0.000000\n0.000000 0.000000 3.255217\nRb Mn F\n1 1 1\ndirect\n-0.188993 0.429456 0.000000 Rb\n0.352647 -0.070564 0.000000 Mn\n0.054318 -0.070700 0.000000 F\n",
"nsites": 3,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 3.0342494400957083,
"density_atomic": 0.03438931667479021,
"volume": 87.23639461551764,
"volume_molar": 17.511661592318443,
"formula_full": "Rb1 Mn1 F1",
"formula_reduced": "RbMnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7742534975369456,
"spacegroup": 25
},
{
"id": "jvasp-121022",
"created_at": "2022-09-04T14:38:52.295994Z",
"updated_at": "2022-09-04T14:38:52.296021Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.248993 0.000000 0.000000\n-0.000000 4.248993 0.000000\n-0.000000 -0.000000 4.248993\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 4.273075035771001,
"density_atomic": 0.06517964000874137,
"volume": 76.71107111560359,
"volume_molar": 9.2392973621707,
"formula_full": "Rb1 Mn1 F3",
"formula_reduced": "RbMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2217716698505746,
"spacegroup": 221
},
{
"id": "jvasp-57550",
"created_at": "2022-09-04T14:37:10.588444Z",
"updated_at": "2022-09-04T14:37:10.588461Z",
"structure_string": "Rb6 Mn2 F14\n1.0\n7.989778 -0.000000 -0.000000\n-0.000000 7.989778 -0.000000\n0.000000 0.000000 5.913390\nRb Mn F\n6 2 14\ndirect\n0.188547 0.688547 0.500000 Rb\n0.688547 0.811453 0.500000 Rb\n0.311453 0.188547 0.500000 Rb\n0.811453 0.311453 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.338159 0.161842 0.000000 F\n0.838159 0.338159 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.613026 0.113026 0.221772 F\n0.113026 0.386974 0.221772 F\n0.113026 0.386974 0.778228 F\n0.386974 0.886975 0.221772 F\n0.886975 0.613026 0.778228 F\n0.661842 0.838159 0.000000 F\n0.613026 0.113026 0.778228 F\n0.386974 0.886975 0.778228 F\n0.886975 0.613026 0.221772 F\n0.161842 0.661842 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "F-Mn-Rb",
"density": 3.9091203731570734,
"density_atomic": 0.05827962296807981,
"volume": 377.4904311246071,
"volume_molar": 10.333184144479404,
"formula_full": "Rb6 Mn2 F14",
"formula_reduced": "Rb3MnF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-24409",
"created_at": "2022-09-04T14:38:30.096736Z",
"updated_at": "2022-09-04T14:38:30.096757Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.253301 -0.000000 0.000000\n0.000000 4.253301 0.000000\n-0.000000 -0.000000 4.253301\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
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],
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"density": 4.260104097384789,
"density_atomic": 0.06498178691992092,
"volume": 76.94463690513246,
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"formula_full": "Rb1 Mn1 F3",
"formula_reduced": "RbMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2243276698505746,
"spacegroup": 221
},
{
"id": "jvasp-22605",
"created_at": "2022-09-04T14:36:37.504468Z",
"updated_at": "2022-09-04T14:36:37.504498Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.058060 0.000000 -0.000000\n-0.000000 4.058060 -0.000000\n0.000000 0.000000 4.058060\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
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],
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"volume": 66.82752728134662,
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"formula_full": "Rb1 Mn1 F3",
"formula_reduced": "RbMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3229716698505745,
"spacegroup": 221
},
{
"id": "jvasp-92609",
"created_at": "2022-09-04T14:36:18.470892Z",
"updated_at": "2022-09-04T14:36:18.470919Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.253301 0.000000 -0.000000\n0.000000 4.253301 -0.000000\n0.000000 -0.000000 4.253301\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
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],
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"volume": 76.94463690513246,
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"formula_full": "Rb1 Mn1 F3",
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"spacegroup": 221
},
{
"id": "jvasp-24958",
"created_at": "2022-09-04T14:37:53.150112Z",
"updated_at": "2022-09-04T14:37:53.150124Z",
"structure_string": "Rb2 Mn1 F6\n1.0\n5.178554 0.000000 2.989840\n1.726185 4.882388 2.989840\n0.000000 0.000000 5.979680\nRb Mn F\n2 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.216863 0.783136 0.783136 F\n0.216863 0.783136 0.216864 F\n0.783135 0.216864 0.783136 F\n0.783135 0.216864 0.216864 F\n0.783135 0.783136 0.216865 F\n0.216864 0.216864 0.783136 F\n",
"nsites": 9,
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],
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"volume": 151.18849445640274,
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"formula_full": "Rb2 Mn1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
}
]
}