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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=989",
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"results": [
{
"id": "jvasp-112348",
"created_at": "2022-09-04T14:38:26.435606Z",
"updated_at": "2022-09-04T14:38:26.435629Z",
"structure_string": "Sr2 Nd1 Sm1 Mn4 O12\n1.0\n5.431010 0.003980 0.046999\n0.050797 5.430774 0.046999\n0.006683 0.006626 7.716175\nSr Nd Sm Mn O\n2 1 1 4 12\ndirect\n0.749736 0.749737 0.999739 Sr\n0.249791 0.249792 0.499846 Sr\n0.753474 0.753474 0.504655 Nd\n0.256769 0.256768 0.005670 Sm\n0.250586 0.750748 0.751274 Mn\n0.750382 0.250044 0.249610 Mn\n0.250044 0.750381 0.249610 Mn\n0.750748 0.250586 0.751274 Mn\n0.473859 0.473859 0.724456 O\n0.974559 0.974558 0.222965 O\n0.034387 0.464147 0.240001 O\n0.534230 0.965771 0.742726 O\n0.209040 0.776159 0.499674 O\n0.965771 0.534230 0.742726 O\n0.776159 0.209040 0.499674 O\n0.276501 0.703459 0.999588 O\n0.039815 0.039816 0.790601 O\n0.464147 0.034387 0.240001 O\n0.703458 0.276501 0.999588 O\n0.536543 0.536543 0.286329 O\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "Mn-Nd-O-Sm-Sr",
"density": 6.432492531686071,
"density_atomic": 0.08788100631170638,
"volume": 227.58046180151507,
"volume_molar": 6.852607875972634,
"formula_full": "Sr2 Nd1 Sm1 Mn4 O12",
"formula_reduced": "Sr2NdSmMn4O12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.894211198025862,
"spacegroup": 8
},
{
"id": "jvasp-106307",
"created_at": "2022-09-04T14:36:46.867511Z",
"updated_at": "2022-09-04T14:36:46.867529Z",
"structure_string": "Sr2 Nd1 Nb1 O6\n1.0\n5.265230 0.000000 3.039881\n1.755077 4.964106 3.039881\n0.000000 0.000000 6.079764\nSr Nd Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.749999 Sr\n0.500000 0.500000 0.499999 Nd\n0.000000 0.000000 0.000000 Nb\n0.766677 0.233323 0.233322 O\n0.233323 0.766678 0.766676 O\n0.233323 0.766678 0.233322 O\n0.766677 0.233323 0.766676 O\n0.233323 0.233323 0.766677 O\n0.766678 0.766678 0.233322 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Nb",
"O"
],
"chemical_system": "Nb-Nd-O-Sr",
"density": 5.312470390801657,
"density_atomic": 0.06292958748252789,
"volume": 158.9077634233095,
"volume_molar": 9.569649191919492,
"formula_full": "Sr2 Nd1 Nb1 O6",
"formula_reduced": "Sr2NdNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.141334452,
"spacegroup": 225
},
{
"id": "jvasp-55616",
"created_at": "2022-09-04T14:37:14.235690Z",
"updated_at": "2022-09-04T14:37:14.235718Z",
"structure_string": "Sr4 Nd2 Bi2 O12\n1.0\n0.000000 6.003517 0.002078\n6.194033 0.000000 0.000000\n0.000000 -5.963455 -8.594225\nSr Nd Bi O\n4 2 2 12\ndirect\n0.763499 0.050120 0.249451 Sr\n0.236502 0.550120 0.250550 Sr\n0.236503 0.949879 0.750550 Sr\n0.763500 0.449880 0.749451 Sr\n0.500000 0.500000 -0.000000 Nd\n0.500001 0.000000 0.500000 Nd\n0.000001 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.655058 0.044602 0.762466 O\n0.344944 0.544602 0.737534 O\n0.126815 0.786817 0.440060 O\n0.873186 0.286818 0.059940 O\n0.873187 0.213182 0.559940 O\n0.765661 0.692213 0.554193 O\n0.234341 0.307787 0.445807 O\n0.765660 0.807786 0.054193 O\n0.655058 0.455398 0.262466 O\n0.234342 0.192213 0.945807 O\n0.126816 0.713182 0.940060 O\n0.344943 0.955398 0.237534 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Bi",
"O"
],
"chemical_system": "Bi-Nd-O-Sr",
"density": 6.490844787847291,
"density_atomic": 0.06259625291089976,
"volume": 319.5079428870644,
"volume_molar": 9.620609030019713,
"formula_full": "Sr4 Nd2 Bi2 O12",
"formula_reduced": "Sr2NdBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.642473942,
"spacegroup": 14
},
{
"id": "jvasp-118099",
"created_at": "2022-09-04T14:38:37.212068Z",
"updated_at": "2022-09-04T14:38:37.212088Z",
"structure_string": "Sr2 N1 Cl1\n1.0\n1.941098 1.120694 7.032493\n-1.941098 1.120694 7.032493\n-0.000000 -2.241387 7.032493\nSr N Cl\n2 1 1\ndirect\n0.769471 0.769471 0.769472 Sr\n0.230528 0.230528 0.230528 Sr\n0.499999 0.499999 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sr",
"density": 4.064963509607532,
"density_atomic": 0.04357777504390056,
"volume": 91.7899088691511,
"volume_molar": 13.819293788940008,
"formula_full": "Sr2 N1 Cl1",
"formula_reduced": "Sr2NCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6132924843749997,
"spacegroup": 166
},
{
"id": "jvasp-1972",
"created_at": "2022-09-04T14:35:44.810044Z",
"updated_at": "2022-09-04T14:35:44.810062Z",
"structure_string": "Sr2 N1 Cl1\n1.0\n3.764677 0.011392 6.346890\n1.749431 3.333530 6.346890\n0.018780 0.011392 7.379394\nSr N Cl\n2 1 1\ndirect\n0.769376 0.769375 0.769376 Sr\n0.230624 0.230624 0.230624 Sr\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sr",
"density": 4.059203682438336,
"density_atomic": 0.04351602776078776,
"volume": 91.92015461494846,
"volume_molar": 13.83890274430458,
"formula_full": "Sr2 N1 Cl1",
"formula_reduced": "Sr2NCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6200249843749998,
"spacegroup": 166
},
{
"id": "jvasp-110541",
"created_at": "2022-09-04T14:38:39.778296Z",
"updated_at": "2022-09-04T14:38:39.778314Z",
"structure_string": "Sr2 Nb1 In1 O6\n1.0\n5.055590 -0.000000 2.918846\n1.685197 4.766456 2.918846\n-0.000000 -0.000000 5.837692\nSr Nb In O\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 In\n0.242136 0.757865 0.757865 O\n0.757865 0.242135 0.242136 O\n0.757865 0.757865 0.242136 O\n0.242135 0.242135 0.757865 O\n0.757865 0.242135 0.757865 O\n0.242136 0.757865 0.242135 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"In",
"O"
],
"chemical_system": "In-Nb-O-Sr",
"density": 5.653799951410493,
"density_atomic": 0.071087196634433,
"volume": 140.6723077212505,
"volume_molar": 8.471484381314053,
"formula_full": "Sr2 Nb1 In1 O6",
"formula_reduced": "Sr2NbInO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.921076299,
"spacegroup": 225
},
{
"id": "jvasp-106736",
"created_at": "2022-09-04T14:36:50.741737Z",
"updated_at": "2022-09-04T14:36:50.741755Z",
"structure_string": "Sr2 Nb1 Ga1 O6\n1.0\n4.880396 0.000000 2.817698\n1.626799 4.601281 2.817698\n0.000000 0.000000 5.635396\nSr Nb Ga O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.750001 Sr\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.500001 Ga\n0.748812 0.251189 0.251189 O\n0.251190 0.748811 0.748812 O\n0.251189 0.251189 0.748812 O\n0.748812 0.748811 0.251189 O\n0.251190 0.748811 0.251189 O\n0.748812 0.251189 0.748812 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Ga",
"O"
],
"chemical_system": "Ga-Nb-O-Sr",
"density": 5.693066238463224,
"density_atomic": 0.0790208581462157,
"volume": 126.54886614236165,
"volume_molar": 7.620950849277,
"formula_full": "Sr2 Nb1 Ga1 O6",
"formula_reduced": "Sr2NbGaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.9124185345,
"spacegroup": 225
},
{
"id": "jvasp-112644",
"created_at": "2022-09-04T14:38:43.014280Z",
"updated_at": "2022-09-04T14:38:43.014320Z",
"structure_string": "Sr4 Nb2 Co2 O12\n1.0\n5.317774 0.037920 1.533687\n2.404332 4.743303 1.533750\n0.116063 0.071799 9.585489\nSr Nb Co O\n4 2 2 12\ndirect\n0.000008 0.000007 0.000001 Sr\n0.499990 0.499991 0.500000 Sr\n0.250008 0.250008 0.250001 Sr\n0.749991 0.749993 0.749999 Sr\n0.625012 0.625011 0.125001 Nb\n0.124987 0.124988 0.625000 Nb\n0.374999 0.375000 0.875001 Co\n0.874999 0.874999 0.375001 Co\n0.508464 -0.002818 0.497183 O\n0.008485 0.497196 -0.002804 O\n0.252803 0.741515 0.752809 O\n0.752818 0.241533 0.252821 O\n-0.002820 0.508466 0.497180 O\n0.252787 0.252794 0.752843 O\n0.997182 0.997179 0.497174 O\n0.497212 0.497206 0.997157 O\n0.241535 0.752817 0.252818 O\n0.752816 0.752820 0.252827 O\n0.497196 0.008485 -0.002808 O\n0.741514 0.252804 0.752805 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.860550601834684,
"density_atomic": 0.08342014851480922,
"volume": 239.75023248069962,
"volume_molar": 7.219048236207486,
"formula_full": "Sr4 Nb2 Co2 O12",
"formula_reduced": "Sr2NbCoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3813093919999995,
"spacegroup": 225
},
{
"id": "jvasp-19076",
"created_at": "2022-09-04T14:37:03.701621Z",
"updated_at": "2022-09-04T14:37:03.701639Z",
"structure_string": "Sr4 Nb4 O14\n1.0\n3.969284 0.000000 -0.586399\n0.000000 5.785362 0.000000\n-0.013801 -0.000000 13.633656\nSr Nb O\n4 4 14\ndirect\n0.551441 0.970194 0.102882 Sr\n0.448559 0.470194 0.897118 Sr\n0.706390 0.540301 0.412781 Sr\n0.293609 0.040301 0.587219 Sr\n0.941499 0.970450 0.883001 Nb\n0.162321 0.002578 0.324642 Nb\n0.837679 0.502577 0.675358 Nb\n0.058500 0.470451 0.117000 Nb\n0.650945 0.965216 0.301891 O\n0.349055 0.465216 0.698110 O\n0.113225 0.667159 0.226451 O\n0.451519 0.943617 0.903038 O\n0.990888 0.227102 0.981778 O\n0.783529 0.292411 0.567059 O\n0.216470 0.792410 0.432942 O\n0.199691 0.270754 0.399382 O\n0.800308 0.770754 0.600619 O\n0.091758 0.160336 0.183515 O\n0.908242 0.660336 0.816485 O\n0.548481 0.443617 0.096962 O\n0.009111 0.727102 0.018222 O\n0.886774 0.167159 0.773549 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Nb",
"O"
],
"chemical_system": "Nb-O-Sr",
"density": 5.018740336517548,
"density_atomic": 0.07028013536353934,
"volume": 313.0329770453656,
"volume_molar": 8.568766592222913,
"formula_full": "Sr4 Nb4 O14",
"formula_reduced": "Sr2Nb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.6598878109090904,
"spacegroup": 36
},
{
"id": "jvasp-7747",
"created_at": "2022-09-04T14:36:50.646377Z",
"updated_at": "2022-09-04T14:36:50.646404Z",
"structure_string": "Sr2 N1\n1.0\n3.699342 0.005576 6.216519\n1.714004 3.278315 6.216519\n0.009192 0.005576 7.233959\nSr N\n2 1\ndirect\n0.266767 0.266769 0.266768 Sr\n0.733229 0.733235 0.733232 Sr\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "N-Sr",
"density": 3.5953227489216224,
"density_atomic": 0.034322722159675904,
"volume": 87.40565465767614,
"volume_molar": 17.54563851894918,
"formula_full": "Sr2 N1",
"formula_reduced": "Sr2N",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9509386233333328,
"spacegroup": 166
},
{
"id": "jvasp-17470",
"created_at": "2022-09-04T14:38:26.813542Z",
"updated_at": "2022-09-04T14:38:26.813557Z",
"structure_string": "Sr2 Mo1 O4\n1.0\n3.758729 -0.000000 -1.095770\n-0.319446 3.745130 -1.095770\n0.017048 0.018565 7.052995\nSr Mo O\n2 1 4\ndirect\n0.351159 0.351157 0.702316 Sr\n0.648841 0.648840 0.297682 Sr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.499999 -0.000000 O\n0.499999 0.000000 0.000000 O\n0.836577 0.836578 0.673157 O\n0.163422 0.163419 0.326842 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Mo",
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],
"chemical_system": "Mo-O-Sr",
"density": 5.597243300820032,
"density_atomic": 0.0703960256473215,
"volume": 99.43743180999229,
"volume_molar": 8.554660159609645,
"formula_full": "Sr2 Mo1 O4",
"formula_reduced": "Sr2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9687403599999995,
"spacegroup": 139
},
{
"id": "jvasp-40993",
"created_at": "2022-09-04T14:37:33.272684Z",
"updated_at": "2022-09-04T14:37:33.272709Z",
"structure_string": "Sr2 Mn1 Zn2 As2 O2\n1.0\n0.000000 -4.131335 0.000000\n-4.131335 0.000000 0.000000\n2.065667 2.065667 -9.389516\nSr Mn Zn As O\n2 1 2 2 2\ndirect\n0.587650 0.587650 0.175299 Sr\n0.412351 0.412351 0.824701 Sr\n0.000000 0.000000 0.000000 Mn\n0.750001 0.250000 0.500000 Zn\n0.250000 0.750001 0.500000 Zn\n0.166671 0.166671 0.333344 As\n0.833329 0.833329 0.666656 As\n0.500001 0.000000 0.000000 O\n0.000000 0.500001 0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Zn",
"As",
"O"
],
"chemical_system": "As-Mn-O-Sr-Zn",
"density": 5.624647942117509,
"density_atomic": 0.05615888525301023,
"volume": 160.25959132651377,
"volume_molar": 10.723397967870454,
"formula_full": "Sr2 Mn1 Zn2 As2 O2",
"formula_reduced": "Sr2MnZn2(AsO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.0794845734865903,
"spacegroup": 139
}
]
}