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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1531",
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"results": [
{
"id": "jvasp-1573",
"created_at": "2022-09-04T14:36:53.676495Z",
"updated_at": "2022-09-04T14:36:53.676525Z",
"structure_string": "Rb1 Nd1 O2\n1.0\n3.521425 -0.001438 5.909673\n1.626125 3.123484 5.909673\n-0.002372 -0.001438 6.879292\nRb Nd O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500002 0.499999 0.499999 Nd\n0.772186 0.772181 0.772181 O\n0.227818 0.227816 0.227816 O\n",
"nsites": 4,
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{
"id": "jvasp-105295",
"created_at": "2022-09-04T14:36:56.295121Z",
"updated_at": "2022-09-04T14:36:56.295131Z",
"structure_string": "Rb3 Nd1 F6\n1.0\n6.211025 0.139612 -3.313182\n-2.174791 5.819502 -3.313182\n-0.094562 -0.139612 7.038826\nRb Nd F\n3 1 6\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500001 Rb\n0.500000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Nd\n0.000000 0.315246 0.315246 F\n0.000000 0.684755 0.684755 F\n0.315245 0.000000 0.315246 F\n0.684754 0.000000 0.684755 F\n0.236397 0.236397 -0.000000 F\n0.763602 0.763602 -0.000000 F\n",
"nsites": 10,
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"density": 3.4060624880547508,
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"volume": 250.8975938786586,
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{
"id": "jvasp-107871",
"created_at": "2022-09-04T14:37:49.560279Z",
"updated_at": "2022-09-04T14:37:49.560304Z",
"structure_string": "Rb3 Nd1 Cl6\n1.0\n7.038320 -0.000000 4.063576\n2.346107 6.635792 4.063576\n-0.000000 -0.000000 8.127152\nRb Nd Cl\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 Nd\n0.763974 0.236026 0.236027 Cl\n0.236026 0.236026 0.763974 Cl\n0.236027 0.763974 0.763974 Cl\n0.236027 0.763974 0.236026 Cl\n0.763974 0.236026 0.763974 Cl\n0.763974 0.763974 0.236027 Cl\n",
"nsites": 10,
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"density": 2.6832849817432343,
"density_atomic": 0.026345099601371776,
"volume": 379.5772326280864,
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"formula_full": "Rb3 Nd1 Cl6",
"formula_reduced": "Rb3NdCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20913",
"created_at": "2022-09-04T14:38:36.595217Z",
"updated_at": "2022-09-04T14:38:36.595243Z",
"structure_string": "Rb12 Nb4 S16\n1.0\n9.599277 0.000000 0.000000\n-0.000000 9.657139 0.000000\n0.000000 0.000000 10.990389\nRb Nb S\n12 4 16\ndirect\n0.051258 0.290824 0.542538 Rb\n0.858301 0.915465 0.750000 Rb\n0.141699 0.084535 0.250000 Rb\n0.641699 0.415465 0.250000 Rb\n0.948742 0.709176 0.457462 Rb\n0.448742 0.790825 0.042538 Rb\n0.551259 0.209176 0.542538 Rb\n0.051258 0.290824 0.957462 Rb\n0.948742 0.709176 0.042538 Rb\n0.551259 0.209176 0.957462 Rb\n0.448742 0.790825 0.457462 Rb\n0.358301 0.584535 0.750000 Rb\n0.217865 0.515394 0.250000 Nb\n0.717865 0.984606 0.250000 Nb\n0.282135 0.015394 0.750000 Nb\n0.782135 0.484606 0.750000 Nb\n0.833498 0.050243 0.423214 S\n0.166502 0.949757 0.923214 S\n0.166502 0.949757 0.576786 S\n0.666503 0.550243 0.923214 S\n0.333498 0.449757 0.423214 S\n0.833498 0.050243 0.076786 S\n0.997035 0.421070 0.250000 S\n0.497035 0.078930 0.250000 S\n0.002965 0.578930 0.750000 S\n0.699121 0.747843 0.250000 S\n0.199121 0.752157 0.250000 S\n0.800879 0.247843 0.750000 S\n0.300879 0.252157 0.750000 S\n0.333498 0.449757 0.076786 S\n0.502965 0.921070 0.750000 S\n0.666503 0.550243 0.576786 S\n",
"nsites": 32,
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"elements": [
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"S"
],
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"density": 3.113478387405185,
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"volume": 1018.8261205544883,
"volume_molar": 19.173482212324554,
"formula_full": "Rb12 Nb4 S16",
"formula_reduced": "Rb3NbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.322312425,
"spacegroup": 62
},
{
"id": "jvasp-10572",
"created_at": "2022-09-04T14:37:19.595573Z",
"updated_at": "2022-09-04T14:37:19.595592Z",
"structure_string": "Rb3 Nb1 O8\n1.0\n5.917994 0.054868 -2.504446\n-3.334403 5.307676 -1.417125\n0.034469 -0.054868 6.426018\nRb Nb O\n3 1 8\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500001 0.750001 0.250000 Rb\n0.500000 0.250000 0.750000 Rb\n0.000000 0.000000 0.000000 Nb\n0.275361 0.949996 0.949995 O\n0.000000 0.050004 0.325365 O\n0.000000 0.325365 0.050004 O\n0.724640 0.674636 0.674635 O\n0.585231 0.772572 0.772572 O\n0.000000 0.227428 0.812659 O\n0.000001 0.812659 0.227428 O\n0.414769 0.187341 0.187341 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
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"density": 3.9128500133066,
"density_atomic": 0.059241955265691995,
"volume": 202.5591482621,
"volume_molar": 10.165330858833961,
"formula_full": "Rb3 Nb1 O8",
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"formula_anonymous": "AB3C8",
"energy_above_hull": 2.1066197833333336,
"spacegroup": 121
},
{
"id": "jvasp-50357",
"created_at": "2022-09-04T14:36:12.531987Z",
"updated_at": "2022-09-04T14:36:12.532014Z",
"structure_string": "Rb4 Nb4 O12\n1.0\n4.885149 4.307932 -0.034854\n-4.885149 4.307932 0.034854\n-0.762156 0.000000 8.128979\nRb Nb O\n4 4 12\ndirect\n0.336721 0.663279 0.767268 Rb\n0.231489 0.231489 0.500000 Rb\n0.768510 0.768511 0.500000 Rb\n0.663279 0.336721 0.232732 Rb\n0.261603 0.738397 0.203073 Nb\n0.189328 0.189328 0.000000 Nb\n0.810672 0.810672 0.000000 Nb\n0.738396 0.261603 0.796927 Nb\n0.291405 0.045578 0.216325 O\n0.954421 0.708595 0.216325 O\n0.771694 0.548884 0.893772 O\n0.451116 0.228306 0.893772 O\n0.228306 0.451116 0.106229 O\n0.334439 0.665560 0.419012 O\n0.708594 0.954422 0.783675 O\n0.045578 0.291405 0.783675 O\n0.665560 0.334440 0.580988 O\n0.121851 0.878149 0.947007 O\n0.548884 0.771694 0.106229 O\n0.878148 0.121851 0.052993 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"O"
],
"chemical_system": "Nb-O-Rb",
"density": 4.3975469580099515,
"density_atomic": 0.058493546759100144,
"volume": 341.9180594804417,
"volume_molar": 10.295393412886362,
"formula_full": "Rb4 Nb4 O12",
"formula_reduced": "RbNbO3",
"formula_anonymous": "ABC3",
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"spacegroup": 12
},
{
"id": "jvasp-92752",
"created_at": "2022-09-04T14:36:10.662793Z",
"updated_at": "2022-09-04T14:36:10.662819Z",
"structure_string": "Rb1 Nb1 O3\n1.0\n4.091644 -0.000000 -0.000000\n-0.000000 4.091644 -0.000000\n0.000000 0.000000 4.091644\nRb Nb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Nb-O-Rb",
"density": 5.487556613403826,
"density_atomic": 0.0729922050689378,
"volume": 68.50046515621399,
"volume_molar": 8.25038886592392,
"formula_full": "Rb1 Nb1 O3",
"formula_reduced": "RbNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.98994398,
"spacegroup": 221
},
{
"id": "jvasp-2889",
"created_at": "2022-09-04T14:36:34.712184Z",
"updated_at": "2022-09-04T14:36:34.712208Z",
"structure_string": "Rb2 Nb1 F6\n1.0\n3.072554 -5.321820 -0.000000\n3.072554 5.321820 0.000000\n0.000000 0.000000 4.673488\nRb Nb F\n2 1 6\ndirect\n0.333332 0.666666 0.706228 Rb\n0.666666 0.333332 0.293773 Rb\n0.000000 0.000000 0.000000 Nb\n0.838659 0.677320 0.772743 F\n0.322679 0.161339 0.772743 F\n0.838660 0.161339 0.772743 F\n0.161339 0.322679 0.227258 F\n0.677320 0.838659 0.227258 F\n0.161339 0.838660 0.227258 F\n",
"nsites": 9,
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"elements": [
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"F"
],
"chemical_system": "F-Nb-Rb",
"density": 4.105040633088311,
"density_atomic": 0.058885948693063746,
"volume": 152.83781954352926,
"volume_molar": 10.226787363806803,
"formula_full": "Rb2 Nb1 F6",
"formula_reduced": "Rb2NbF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0137434549999997,
"spacegroup": 164
},
{
"id": "jvasp-55000",
"created_at": "2022-09-04T14:36:20.365675Z",
"updated_at": "2022-09-04T14:36:20.365709Z",
"structure_string": "Rb2 Nb1 Cl6\n1.0\n6.117835 0.000000 3.532134\n2.039278 5.767951 3.532134\n-0.000000 0.000000 7.064269\nRb Nb Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Nb\n0.755966 0.755965 0.244034 Cl\n0.755965 0.244035 0.755964 Cl\n0.244036 0.244035 0.755964 Cl\n0.244036 0.755965 0.755964 Cl\n0.244036 0.755965 0.244035 Cl\n0.755965 0.244035 0.244034 Cl\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Cl-Nb-Rb",
"density": 3.1745349728341066,
"density_atomic": 0.036104053081630415,
"volume": 249.27949168618858,
"volume_molar": 16.67995763906086,
"formula_full": "Rb2 Nb1 Cl6",
"formula_reduced": "Rb2NbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3633615338888887,
"spacegroup": 225
},
{
"id": "jvasp-56540",
"created_at": "2022-09-04T14:35:58.216396Z",
"updated_at": "2022-09-04T14:35:58.216423Z",
"structure_string": "Rb2 Nb1 Cl6\n1.0\n6.168630 -0.149041 -3.438499\n-4.004749 5.815964 -0.184498\n-0.102626 0.149041 7.061498\nRb Nb Cl\n2 1 6\ndirect\n0.499999 0.750000 0.249999 Rb\n0.499999 0.250000 0.750000 Rb\n0.000000 0.000000 0.000000 Nb\n-0.000000 0.244103 0.244103 Cl\n-0.000001 0.755896 0.755896 Cl\n-0.000001 0.756007 0.243992 Cl\n0.512014 0.756007 0.756007 Cl\n-0.000001 0.243992 0.756008 Cl\n0.487985 0.243992 0.243992 Cl\n",
"nsites": 9,
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],
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"density": 3.1743496282022923,
"density_atomic": 0.036101945153230605,
"volume": 249.2940466725691,
"volume_molar": 16.680931552135785,
"formula_full": "Rb2 Nb1 Cl6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-58999",
"created_at": "2022-09-04T14:38:35.832456Z",
"updated_at": "2022-09-04T14:38:35.832467Z",
"structure_string": "Rb6 Nb4 Br18\n1.0\n3.801969 -6.585204 0.000000\n3.801969 6.585204 -0.000000\n-0.000000 0.000000 17.758921\nRb Nb Br\n6 4 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.070671 Rb\n0.666667 0.333333 0.570671 Rb\n0.666667 0.333333 0.929329 Rb\n0.333333 0.666667 0.429329 Rb\n0.333333 0.666667 0.673491 Nb\n0.666667 0.333333 0.173491 Nb\n0.333333 0.666667 0.826509 Nb\n0.666667 0.333333 0.326509 Nb\n0.830607 0.169393 0.090485 Br\n0.830607 0.169393 0.409515 Br\n0.169393 0.830607 0.909515 Br\n0.661215 0.830608 0.590485 Br\n0.169393 0.338785 0.909515 Br\n0.661215 0.830608 0.909515 Br\n0.830608 0.661215 0.090485 Br\n0.169393 0.830607 0.590485 Br\n0.489740 0.510260 0.250000 Br\n0.338785 0.169393 0.090485 Br\n0.979479 0.489740 0.750000 Br\n0.489740 0.979479 0.250000 Br\n0.338785 0.169393 0.409515 Br\n0.510260 0.489740 0.750000 Br\n0.510260 0.020521 0.750000 Br\n0.020521 0.510260 0.250000 Br\n0.169393 0.338785 0.590485 Br\n0.830608 0.661215 0.409515 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Nb",
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],
"chemical_system": "Br-Nb-Rb",
"density": 4.337291882466889,
"density_atomic": 0.031487171935364024,
"volume": 889.2510276082465,
"volume_molar": 19.125695925826808,
"formula_full": "Rb6 Nb4 Br18",
"formula_reduced": "Rb3Nb2Br9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.5583804103571424,
"spacegroup": 194
},
{
"id": "jvasp-116600",
"created_at": "2022-09-04T14:38:51.449708Z",
"updated_at": "2022-09-04T14:38:51.449722Z",
"structure_string": "Rb4 Nb6 Br18\n1.0\n9.721451 0.375043 2.543599\n-4.766540 8.481000 2.543599\n0.139051 0.248529 10.272009\nRb Nb Br\n4 6 18\ndirect\n0.752718 0.058572 0.328516 Rb\n0.247282 0.941428 0.671484 Rb\n0.941428 0.247281 0.671484 Rb\n0.058572 0.752718 0.328516 Rb\n0.278917 0.458206 0.136931 Nb\n0.541794 0.721083 0.863070 Nb\n0.721083 0.541794 0.863070 Nb\n0.401140 0.401140 0.869332 Nb\n0.598860 0.598860 0.130669 Nb\n0.458206 0.278917 0.136931 Nb\n0.107657 0.330542 0.006615 Br\n0.430330 0.650804 0.673191 Br\n0.569669 0.349196 0.326809 Br\n0.172637 0.172637 0.337895 Br\n0.827363 0.827363 0.662105 Br\n0.266875 0.266875 0.699005 Br\n0.733125 0.733125 0.300996 Br\n0.892342 0.669458 0.993386 Br\n0.596396 0.020883 0.679799 Br\n0.330542 0.107657 0.006615 Br\n-0.020883 0.403604 0.320202 Br\n0.020883 0.596396 0.679799 Br\n0.650804 0.430330 0.673191 Br\n0.403604 -0.020883 0.320202 Br\n0.279500 0.720500 0.000000 Br\n0.720500 0.279499 0.000000 Br\n0.669458 0.892342 0.993386 Br\n0.349196 0.569669 0.326809 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
"chemical_system": "Br-Nb-Rb",
"density": 4.549301321094348,
"density_atomic": 0.032816093404925924,
"volume": 853.2398922230336,
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"formula_full": "Rb4 Nb6 Br18",
"formula_reduced": "Rb2(NbBr3)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 12
}
]
}