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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1518",
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"results": [
{
"id": "jvasp-87210",
"created_at": "2022-09-04T14:38:14.649034Z",
"updated_at": "2022-09-04T14:38:14.649063Z",
"structure_string": "Rb8 Se4 O16\n1.0\n6.148392 -0.000000 0.000000\n0.000000 7.992986 0.000000\n0.000000 0.000000 10.806558\nRb Se O\n8 4 16\ndirect\n0.750000 0.667347 0.589129 Rb\n0.750000 0.167347 0.910871 Rb\n0.250000 0.832653 0.089129 Rb\n0.750000 0.989047 0.296800 Rb\n0.250000 0.010953 0.703201 Rb\n0.750000 0.489047 0.203201 Rb\n0.250000 0.510953 0.796800 Rb\n0.250000 0.332653 0.410871 Rb\n0.750000 0.229603 0.579218 Se\n0.250000 0.770398 0.420782 Se\n0.750000 0.729603 0.920783 Se\n0.250000 0.270397 0.079218 Se\n0.250000 0.479288 0.082597 O\n0.750000 0.520712 0.917403 O\n0.972403 0.803044 0.849396 O\n0.750000 0.301798 0.433195 O\n0.250000 0.698202 0.566805 O\n0.750000 0.801798 0.066805 O\n0.250000 0.198202 0.933195 O\n0.972403 0.303044 0.650604 O\n0.472404 0.696957 0.349396 O\n0.527596 0.803044 0.849396 O\n0.027596 0.196956 0.150604 O\n0.027596 0.696957 0.349396 O\n0.527596 0.303044 0.650604 O\n0.472404 0.196956 0.150604 O\n0.750000 0.020712 0.582597 O\n0.250000 0.979289 0.417403 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.925843713381721,
"density_atomic": 0.05272299118407532,
"volume": 531.0776071532383,
"volume_molar": 11.422228945574227,
"formula_full": "Rb8 Se4 O16",
"formula_reduced": "Rb2SeO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-53204",
"created_at": "2022-09-04T14:38:14.275875Z",
"updated_at": "2022-09-04T14:38:14.275900Z",
"structure_string": "Rb4 Se2 O8\n1.0\n6.201221 -0.093346 0.062901\n-3.181450 5.510433 -0.125800\n-0.083332 0.144335 8.419878\nRb Se O\n4 2 8\ndirect\n0.000008 0.004739 0.505346 Rb\n-0.000008 0.004731 0.005345 Rb\n0.383025 0.702689 0.755349 Rb\n0.616975 0.319662 0.255349 Rb\n0.301232 0.648543 0.255352 Se\n0.698768 0.347311 0.755352 Se\n0.132869 0.787729 0.255376 O\n0.101261 0.344151 0.255341 O\n0.482580 0.726993 0.093899 O\n0.482596 0.726941 0.416797 O\n0.517405 0.244345 0.916797 O\n0.517420 0.244412 0.593899 O\n0.867132 0.654861 0.755376 O\n0.898740 0.242891 0.755341 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "O-Rb-Se",
"density": 3.6535342844354175,
"density_atomic": 0.04906595115144766,
"volume": 285.33024778807203,
"volume_molar": 12.273563680467488,
"formula_full": "Rb4 Se2 O8",
"formula_reduced": "Rb2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.280965338095238,
"spacegroup": 40
},
{
"id": "jvasp-3870",
"created_at": "2022-09-04T14:35:42.506971Z",
"updated_at": "2022-09-04T14:35:42.506982Z",
"structure_string": "Rb2 Se1 Cl6\n1.0\n6.113069 0.000000 3.529382\n2.037690 5.763457 3.529382\n0.000000 0.000000 7.058764\nRb Se Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Se\n0.244263 0.755738 0.755736 Cl\n0.244263 0.755738 0.244262 Cl\n0.755737 0.244263 0.755736 Cl\n0.755737 0.244263 0.244262 Cl\n0.755737 0.755738 0.244262 Cl\n0.244263 0.244263 0.755737 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Se",
"Cl"
],
"chemical_system": "Cl-Rb-Se",
"density": 3.088847564696024,
"density_atomic": 0.036188575831946665,
"volume": 248.69726959674804,
"volume_molar": 16.640999601547612,
"formula_full": "Rb2 Se1 Cl6",
"formula_reduced": "Rb2SeCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-115727",
"created_at": "2022-09-04T14:38:46.880955Z",
"updated_at": "2022-09-04T14:38:46.880969Z",
"structure_string": "Rb1 Se1 Br1\n1.0\n6.088350 -0.000000 0.000000\n-3.044175 5.272666 -0.000000\n-0.000000 0.000000 2.987245\nRb Se Br\n1 1 1\ndirect\n0.333333 0.666668 0.000000 Rb\n0.666667 0.333334 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 4.230857292640725,
"density_atomic": 0.031283874829915584,
"volume": 95.89604920459577,
"volume_molar": 19.249983554598728,
"formula_full": "Rb1 Se1 Br1",
"formula_reduced": "RbSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0178674148148147,
"spacegroup": 187
},
{
"id": "jvasp-115729",
"created_at": "2022-09-04T14:38:46.886074Z",
"updated_at": "2022-09-04T14:38:46.886092Z",
"structure_string": "Rb1 Se1 Br2\n1.0\n4.523346 -0.000000 -0.000000\n-0.000000 4.523346 -0.000000\n0.000000 0.000000 6.347913\nRb Se Br\n1 1 2\ndirect\n0.500001 0.500001 0.502678 Rb\n0.000000 0.000000 0.002490 Se\n0.000000 0.000000 0.502204 Br\n0.500001 0.500001 0.002628 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 4.145333521956044,
"density_atomic": 0.03079707049621639,
"volume": 129.88248348138907,
"volume_molar": 19.554264944582496,
"formula_full": "Rb1 Se1 Br2",
"formula_reduced": "RbSeBr2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-36905",
"created_at": "2022-09-04T14:38:07.262450Z",
"updated_at": "2022-09-04T14:38:07.262474Z",
"structure_string": "Rb2 Se2 Br6\n1.0\n0.000000 5.222755 0.037024\n8.601482 0.000000 0.000000\n0.000000 -0.891644 -7.603353\nRb Se Br\n2 2 6\ndirect\n0.214247 0.750000 0.659952 Rb\n0.785755 0.250000 0.340048 Rb\n0.000000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.283039 0.507079 0.307806 Br\n0.716963 0.007079 0.692194 Br\n0.283039 -0.007079 0.307806 Br\n0.716963 0.492920 0.692194 Br\n0.747202 0.750000 0.086755 Br\n0.252800 0.250000 0.913246 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 3.9327271139616204,
"density_atomic": 0.02930104416730291,
"volume": 341.2847659251345,
"volume_molar": 20.552648996448116,
"formula_full": "Rb2 Se2 Br6",
"formula_reduced": "RbSeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-115728",
"created_at": "2022-09-04T14:38:42.876318Z",
"updated_at": "2022-09-04T14:38:42.876342Z",
"structure_string": "Rb1 Se1 Br1\n1.0\n7.476075 0.000000 0.000000\n0.000000 7.476075 -0.000000\n0.000000 -0.000000 8.527252\nRb Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.658819 Rb\n0.000000 0.000000 0.007928 Se\n0.000000 0.000000 0.286721 Br\n",
"nsites": 3,
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"elements": [
"Rb",
"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 0.8512805194826011,
"density_atomic": 0.006294552468825302,
"volume": 476.6025884855106,
"volume_molar": 95.67226248133667,
"formula_full": "Rb1 Se1 Br1",
"formula_reduced": "RbSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.138250748148148,
"spacegroup": 99
},
{
"id": "jvasp-11120",
"created_at": "2022-09-04T14:38:13.591530Z",
"updated_at": "2022-09-04T14:38:13.591556Z",
"structure_string": "Rb1 Sc5 Te8\n1.0\n4.080435 0.000000 -0.792757\n-0.482663 9.928109 -2.484337\n-0.003080 0.017489 10.881824\nRb Sc Te\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.205149 0.845367 0.410295 Sc\n0.500001 0.500000 -0.000000 Sc\n0.844196 0.522567 0.688388 Sc\n0.155806 0.477434 0.311611 Sc\n0.794853 0.154633 0.589704 Sc\n0.925428 0.333013 0.850853 Te\n0.074574 0.666987 0.149146 Te\n0.584756 0.313462 0.169508 Te\n0.415246 0.686538 0.830491 Te\n0.663675 0.999237 0.327346 Te\n0.336327 0.000763 0.672653 Te\n0.737997 0.659313 0.475991 Te\n0.262005 0.340687 0.524008 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Sc",
"Te"
],
"chemical_system": "Rb-Sc-Te",
"density": 5.011994273832096,
"density_atomic": 0.031746510523912565,
"volume": 440.99334915737336,
"volume_molar": 18.96945730606807,
"formula_full": "Rb1 Sc5 Te8",
"formula_reduced": "RbSc5Te8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.6176520273809527,
"spacegroup": 12
},
{
"id": "jvasp-8162",
"created_at": "2022-09-04T14:37:04.750560Z",
"updated_at": "2022-09-04T14:37:04.750586Z",
"structure_string": "Rb1 Sc1 O2\n1.0\n3.161262 -0.003399 5.889553\n1.478074 2.794438 5.889553\n-0.005651 -0.003399 6.684338\nRb Sc O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Sc\n0.777112 0.777114 0.777114 O\n0.222886 0.222886 0.222887 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.555162562146498,
"density_atomic": 0.06755671933803935,
"volume": 59.20950631105778,
"volume_molar": 8.914199533382458,
"formula_full": "Rb1 Sc1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-2616",
"created_at": "2022-09-04T14:37:00.605702Z",
"updated_at": "2022-09-04T14:37:00.605731Z",
"structure_string": "Rb2 Sc2 O4\n1.0\n1.632111 -2.826898 0.000000\n1.632111 2.826898 0.000000\n0.000000 0.000000 12.805840\nRb Sc O\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333333 0.666667 0.584479 O\n0.666667 0.333333 0.084479 O\n0.333333 0.666667 0.915521 O\n0.666667 0.333333 0.415521 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.564859537619702,
"density_atomic": 0.06770053327256606,
"volume": 118.167459151194,
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"formula_full": "Rb2 Sc2 O4",
"formula_reduced": "RbScO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8827030625000001,
"spacegroup": 194
},
{
"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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"Sc",
"I"
],
"chemical_system": "I-Rb-Sc",
"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
},
{
"id": "jvasp-102426",
"created_at": "2022-09-04T14:36:50.402892Z",
"updated_at": "2022-09-04T14:36:50.402922Z",
"structure_string": "Rb3 Sc1 F6\n1.0\n5.670520 -0.000000 3.273876\n1.890173 5.346218 3.273876\n-0.000000 -0.000000 6.547753\nRb Sc F\n3 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.781672 0.218328 0.218329 F\n0.218328 0.218328 0.781672 F\n0.218328 0.781672 0.781672 F\n0.218328 0.781672 0.218329 F\n0.781672 0.218328 0.781672 F\n0.781671 0.781672 0.218329 F\n",
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],
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"density": 3.474571016829008,
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"volume": 198.50060672780623,
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"formula_full": "Rb3 Sc1 F6",
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"spacegroup": 225
}
]
}