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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3872",
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"results": [
{
"id": "jvasp-91721",
"created_at": "2022-09-04T14:36:00.634134Z",
"updated_at": "2022-09-04T14:36:00.634152Z",
"structure_string": "Si2 Br6\n1.0\n-3.130079 -5.699971 1.032294\n-3.130079 5.699971 1.032294\n-0.030710 0.000000 -7.461298\nSi Br\n2 6\ndirect\n0.450920 0.450920 0.334870 Si\n0.549081 0.549081 0.665131 Si\n0.746292 0.746292 0.250907 Br\n0.253709 0.253709 0.749094 Br\n0.099224 0.419735 0.229070 Br\n0.419735 0.099224 0.229070 Br\n0.900776 0.580265 0.770932 Br\n0.580265 0.900776 0.770932 Br\n",
"nsites": 8,
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"elements": [
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],
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"volume": 266.6007984196868,
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"formula_full": "Si2 Br6",
"formula_reduced": "SiBr3",
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{
"id": "jvasp-56745",
"created_at": "2022-09-04T14:38:33.971503Z",
"updated_at": "2022-09-04T14:38:33.971523Z",
"structure_string": "Na8 P4 Se12\n1.0\n7.984350 0.000000 0.000000\n0.000000 8.816386 -1.056415\n0.000000 -0.018465 8.879434\nNa P Se\n8 4 12\ndirect\n0.250000 0.278081 0.221919 Na\n0.750000 0.221919 0.278081 Na\n0.152724 0.815200 0.184801 Na\n0.847276 0.184801 0.815199 Na\n0.250000 0.778082 0.721919 Na\n0.347276 0.315200 0.684801 Na\n0.652724 0.684801 0.315200 Na\n0.750000 0.721920 0.778081 Na\n0.552533 0.920402 0.079599 P\n0.947467 0.420402 0.579599 P\n0.447467 0.079599 0.920401 P\n0.052533 0.579599 0.420401 P\n0.462361 0.000292 0.311319 Se\n0.537639 -0.000292 0.688680 Se\n0.537639 0.311320 0.000292 Se\n0.172369 0.055494 0.944506 Se\n0.962361 0.811320 0.500292 Se\n0.962361 0.499708 0.188681 Se\n0.462361 0.688681 -0.000292 Se\n0.672369 0.444507 0.555494 Se\n0.327632 0.555494 0.444507 Se\n0.037639 0.188681 0.499708 Se\n0.037639 0.500293 0.811320 Se\n0.827632 0.944507 0.055494 Se\n",
"nsites": 24,
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"elements": [
"Na",
"P",
"Se"
],
"chemical_system": "Na-P-Se",
"density": 3.335806853941689,
"density_atomic": 0.038406437545740045,
"volume": 624.895239799767,
"volume_molar": 15.680029559700632,
"formula_full": "Na8 P4 Se12",
"formula_reduced": "Na2PSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9391456,
"spacegroup": 64
},
{
"id": "jvasp-90285",
"created_at": "2022-09-04T14:35:50.177287Z",
"updated_at": "2022-09-04T14:35:50.177314Z",
"structure_string": "Ge1 N2 F6\n1.0\n-3.766299 -3.766299 0.000000\n-3.766299 0.000000 -3.766299\n-0.000000 -3.766299 -3.766299\nGe N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.757299 0.242701 0.242701 F\n0.757299 0.242701 0.757299 F\n0.757299 0.757299 0.242701 F\n0.242701 0.757299 0.757299 F\n0.242701 0.757299 0.242701 F\n0.242701 0.242701 0.757299 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ge",
"N",
"F"
],
"chemical_system": "F-Ge-N",
"density": 3.33574700063447,
"density_atomic": 0.08423025761209349,
"volume": 106.84996407642247,
"volume_molar": 7.1496169318795495,
"formula_full": "Ge1 N2 F6",
"formula_reduced": "Ge(NF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.320584905,
"spacegroup": 225
},
{
"id": "jvasp-46710",
"created_at": "2022-09-04T14:38:34.549546Z",
"updated_at": "2022-09-04T14:38:34.549574Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n0.000000 4.748515 0.049240\n8.412595 0.000000 0.000000\n0.000000 -4.397196 -6.321840\nLi Mn P O\n2 2 4 16\ndirect\n0.000000 0.500000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.770141 0.172117 0.750518 P\n0.229857 0.672117 0.749482 P\n0.770141 0.327882 0.250518 P\n0.229857 0.827882 0.249482 P\n0.506567 0.626830 0.711011 O\n0.871916 0.878911 0.051297 O\n0.493431 0.126830 0.788989 O\n0.128082 0.378912 0.448703 O\n0.677322 0.398966 0.039747 O\n0.798607 0.144314 0.228874 O\n0.201391 0.855686 0.771126 O\n0.128082 0.121088 0.948703 O\n0.871916 0.621088 0.551297 O\n0.506568 0.873169 0.211011 O\n0.322676 0.898965 0.460253 O\n0.493431 0.373169 0.288989 O\n0.677322 0.101034 0.539747 O\n0.798607 0.355686 0.728874 O\n0.322676 0.601034 0.960253 O\n0.201391 0.644314 0.271126 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.3356833424612238,
"density_atomic": 0.09572462955431342,
"volume": 250.719173443054,
"volume_molar": 6.291108973770521,
"formula_full": "Li2 Mn2 P4 O16",
"formula_reduced": "LiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.899902186781609,
"spacegroup": 14
},
{
"id": "jvasp-94400",
"created_at": "2022-09-04T14:36:03.442108Z",
"updated_at": "2022-09-04T14:36:03.442125Z",
"structure_string": "Y3 Mg3\n1.0\n3.447689 -0.000000 0.000000\n-1.723844 2.985787 -0.000000\n-0.000000 0.000000 16.427269\nY Mg\n3 3\ndirect\n0.666668 0.333333 0.000000 Y\n0.000000 0.000000 0.822568 Y\n0.000000 0.000000 0.177432 Y\n0.666668 0.333333 0.654101 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.345899 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.3350790204025995,
"density_atomic": 0.03548125522161184,
"volume": 169.10337479676775,
"volume_molar": 16.972738766952865,
"formula_full": "Y3 Mg3",
"formula_reduced": "YMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.9558051928571428,
"spacegroup": 187
},
{
"id": "jvasp-101495",
"created_at": "2022-09-04T14:36:54.905626Z",
"updated_at": "2022-09-04T14:36:54.905636Z",
"structure_string": "K2 In1 Hg1 Cl6\n1.0\n6.521313 -0.000000 3.765082\n2.173771 6.148352 3.765082\n-0.000000 -0.000000 7.530163\nK In Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.759541 0.240459 0.240459 Cl\n0.240459 0.240459 0.759541 Cl\n0.240459 0.759541 0.759541 Cl\n0.240459 0.759541 0.240459 Cl\n0.759541 0.240459 0.759541 Cl\n0.759541 0.759541 0.240459 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg-In-K",
"density": 3.3346841706932584,
"density_atomic": 0.03312087900566226,
"volume": 301.924354069541,
"volume_molar": 18.18230959078855,
"formula_full": "K2 In1 Hg1 Cl6",
"formula_reduced": "K2InHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105072",
"created_at": "2022-09-04T14:36:50.615070Z",
"updated_at": "2022-09-04T14:36:50.615091Z",
"structure_string": "Rb2 Li1 Tb1 Cl6\n1.0\n6.311053 -0.000000 3.643688\n2.103684 5.950118 3.643688\n-0.000000 -0.000000 7.287377\nTb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Li\n0.744948 0.255051 0.255052 Cl\n0.255051 0.255051 0.744950 Cl\n0.255050 0.744949 0.744950 Cl\n0.255050 0.744949 0.255052 Cl\n0.744948 0.255051 0.744950 Cl\n0.744948 0.744949 0.255052 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Rb",
"Li",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Tb",
"density": 3.3345245392794,
"density_atomic": 0.03654276091369249,
"volume": 273.6520106846394,
"volume_molar": 16.479709275999227,
"formula_full": "Rb2 Li1 Tb1 Cl6",
"formula_reduced": "Rb2LiTbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99695",
"created_at": "2022-09-04T14:36:39.692693Z",
"updated_at": "2022-09-04T14:36:39.692718Z",
"structure_string": "K2 Lu1 Ag1 Cl6\n1.0\n6.402490 -0.000000 3.696479\n2.134164 6.036325 3.696479\n0.000000 0.000000 7.392958\nK Lu Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.755872 0.244128 0.244128 Cl\n0.244127 0.244128 0.755873 Cl\n0.244127 0.755873 0.755873 Cl\n0.244127 0.755873 0.244128 Cl\n0.755872 0.244128 0.755873 Cl\n0.755872 0.755873 0.244128 Cl\n",
"nsites": 10,
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"elements": [
"K",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Lu",
"density": 3.3345089114554636,
"density_atomic": 0.034999370870715245,
"volume": 285.7194215558664,
"volume_molar": 17.206425744752057,
"formula_full": "K2 Lu1 Ag1 Cl6",
"formula_reduced": "K2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-111921",
"created_at": "2022-09-04T14:38:49.992178Z",
"updated_at": "2022-09-04T14:38:49.992196Z",
"structure_string": "Li4 Mn4 F14\n1.0\n5.322276 0.007082 0.549579\n-1.726167 5.034582 0.549579\n0.017554 0.024610 9.544617\nLi Mn F\n4 4 14\ndirect\n0.811984 0.752521 0.704778 Li\n0.752522 0.811984 0.204778 Li\n0.247477 0.188015 0.795223 Li\n0.188015 0.247478 0.295223 Li\n0.698201 0.292821 0.037791 Mn\n0.707178 0.301799 0.462210 Mn\n0.292821 0.698200 0.537791 Mn\n0.301798 0.707178 0.962210 Mn\n0.400981 0.364928 0.127738 F\n0.046552 0.328499 0.929552 F\n0.836636 0.163364 0.250000 F\n0.510359 0.118898 0.883621 F\n0.364928 0.400980 0.627739 F\n0.635071 0.599019 0.372262 F\n0.599018 0.635071 0.872262 F\n0.163363 0.836635 0.750000 F\n0.953447 0.671500 0.070449 F\n0.118897 0.510359 0.383621 F\n0.881102 0.489640 0.616380 F\n0.671500 0.953446 0.570449 F\n0.489640 0.881101 0.116380 F\n0.328499 0.046553 0.429552 F\n",
"nsites": 22,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.3343494747324214,
"density_atomic": 0.08602991120329002,
"volume": 255.72501113029927,
"volume_molar": 7.000054603996495,
"formula_full": "Li4 Mn4 F14",
"formula_reduced": "Li2Mn2F7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 15
},
{
"id": "jvasp-91565",
"created_at": "2022-09-04T14:35:54.384687Z",
"updated_at": "2022-09-04T14:35:54.384713Z",
"structure_string": "Ca4 O4\n1.0\n-2.402139 -2.402107 -0.000000\n-2.402139 2.402107 0.000000\n0.000000 0.000000 -9.679814\nCa O\n4 4\ndirect\n0.749995 0.250005 0.375004 Ca\n0.250005 0.749995 0.624995 Ca\n0.750006 0.249994 0.875004 Ca\n0.249994 0.750006 0.124996 Ca\n0.749962 0.250039 0.124997 O\n0.250039 0.749962 0.875003 O\n0.750039 0.249961 0.624996 O\n0.249961 0.750039 0.375003 O\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.07161475259486431,
"volume": 111.70882688455592,
"volume_molar": 8.409078495415852,
"formula_full": "Ca4 O4",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-25886",
"created_at": "2022-09-04T14:38:33.492934Z",
"updated_at": "2022-09-04T14:38:33.492954Z",
"structure_string": "K2 Na1 Mo1 F6\n1.0\n5.221085 0.000000 3.014395\n1.740362 4.922486 3.014395\n0.000000 0.000000 6.028790\nK Na Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.249999 K\n0.750000 0.750001 0.749998 K\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Mo\n0.241168 0.758832 0.758831 F\n0.241168 0.758832 0.241167 F\n0.758832 0.241168 0.758831 F\n0.241168 0.241168 0.758831 F\n0.758832 0.241168 0.241167 F\n0.758832 0.758832 0.241166 F\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.0645393504696765,
"volume": 154.94423056982038,
"volume_molar": 9.330959664413532,
"formula_full": "K2 Na1 Mo1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-123641",
"created_at": "2022-09-04T14:38:54.810392Z",
"updated_at": "2022-09-04T14:38:54.810419Z",
"structure_string": "Ar1 Se2\n1.0\n2.563509 -3.573510 -0.485135\n1.812997 3.140201 -0.000000\n-0.615524 0.355373 6.868901\nAr Se\n1 2\ndirect\n0.000000 0.333266 0.166667 Ar\n0.719428 0.693081 0.590734 Se\n0.280574 -0.026346 0.742600 Se\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ar-Se",
"density": 3.334157176057075,
"density_atomic": 0.030442664559886288,
"volume": 98.54590731039497,
"volume_molar": 19.781910838170383,
"formula_full": "Ar1 Se2",
"formula_reduced": "ArSe2",
"formula_anonymous": "AB2",
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"spacegroup": 12
}
]
}