HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=649",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=647",
"results": [
{
"id": "jvasp-94359",
"created_at": "2022-09-04T14:36:02.261488Z",
"updated_at": "2022-09-04T14:36:02.261518Z",
"structure_string": "Zr4 Sn2\n1.0\n5.628583 0.000000 0.000000\n-2.814292 4.874496 0.000000\n0.000000 0.000000 4.967879\nZr Sn\n4 2\ndirect\n0.647916 0.647916 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.352085 0.500000 Zr\n0.352084 0.000000 0.500000 Zr\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666668 0.000000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.337932205525811,
"density_atomic": 0.04402014289271893,
"volume": 136.301238608483,
"volume_molar": 13.680420744377187,
"formula_full": "Zr4 Sn2",
"formula_reduced": "Zr2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5727869000000005,
"spacegroup": 189
},
{
"id": "jvasp-65753",
"created_at": "2022-09-04T14:36:02.262903Z",
"updated_at": "2022-09-04T14:36:02.262934Z",
"structure_string": "Ba1 Sr2 Te1\n1.0\n4.172170 0.000000 0.000000\n0.000000 4.172242 0.000000\n0.000000 0.000000 10.706954\nBa Sr Te\n1 2 1\ndirect\n0.500000 0.500000 0.683959 Ba\n0.000000 0.000000 0.012547 Sr\n0.500000 0.500000 0.316375 Sr\n0.000000 0.000000 0.487119 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Te"
],
"chemical_system": "Ba-Sr-Te",
"density": 3.9216529139634315,
"density_atomic": 0.021461623309256165,
"volume": 186.37919146940033,
"volume_molar": 28.060043144093,
"formula_full": "Ba1 Sr2 Te1",
"formula_reduced": "BaSr2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4999999999886224e-06,
"spacegroup": 99
},
{
"id": "jvasp-15824",
"created_at": "2022-09-04T14:36:02.263660Z",
"updated_at": "2022-09-04T14:36:02.263684Z",
"structure_string": "Li1 V1 S2\n1.0\n1.740408 -3.014474 -0.000000\n1.740408 3.014474 -0.000000\n-0.000000 -0.000000 6.006247\nLi V S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.666667 0.333334 0.767864 S\n0.333334 0.666667 0.232136 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"V",
"S"
],
"chemical_system": "Li-S-V",
"density": 3.2148271409568068,
"density_atomic": 0.0634693709860898,
"volume": 63.022524689533405,
"volume_molar": 9.488262868273637,
"formula_full": "Li1 V1 S2",
"formula_reduced": "LiVS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.90508105,
"spacegroup": 164
},
{
"id": "jvasp-44319",
"created_at": "2022-09-04T14:36:02.266088Z",
"updated_at": "2022-09-04T14:36:02.266117Z",
"structure_string": "Mn6 O5 F7\n1.0\n4.679394 -0.168743 0.001088\n-0.168743 4.679394 0.001088\n0.001713 0.001713 9.322418\nMn O F\n6 5 7\ndirect\n0.004796 0.995204 0.000000 Mn\n0.977033 0.960478 0.341020 Mn\n0.039521 0.022966 0.658981 Mn\n0.502820 0.491487 0.841966 Mn\n0.508512 0.497179 0.158034 Mn\n0.473340 0.526660 0.500000 Mn\n0.671930 0.682355 0.331319 O\n0.705393 0.688421 0.998704 O\n0.317644 0.328069 0.668682 O\n0.311578 0.294607 0.001296 O\n0.182622 0.817377 0.500000 O\n0.189352 0.788139 0.165715 F\n0.211861 0.810647 0.834286 F\n0.277831 0.282421 0.320272 F\n0.717578 0.722168 0.679728 F\n0.775989 0.224010 0.500000 F\n0.801754 0.169557 0.176653 F\n0.830442 0.198245 0.823347 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.419748153138406,
"density_atomic": 0.08829372954204091,
"volume": 203.86498671379977,
"volume_molar": 6.820575811255734,
"formula_full": "Mn6 O5 F7",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.425018495876437,
"spacegroup": 5
},
{
"id": "jvasp-43549",
"created_at": "2022-09-04T14:36:02.267251Z",
"updated_at": "2022-09-04T14:36:02.267271Z",
"structure_string": "Li2 Mn2 F8\n1.0\n3.164626 0.000218 0.001475\n-0.000385 6.311414 0.001598\n-0.445914 -0.002979 6.594584\nLi Mn F\n2 2 8\ndirect\n0.500191 0.772796 0.748095 Li\n0.499808 0.272940 0.248134 Li\n-0.000004 0.772930 0.248119 Mn\n-0.000000 0.272807 0.748114 Mn\n-0.000040 0.481276 0.248249 F\n-0.000068 0.064574 0.248039 F\n0.537474 0.272698 0.552036 F\n0.462549 0.773031 0.444183 F\n0.462497 0.272937 0.944213 F\n0.537498 0.772794 0.052030 F\n0.000034 0.564455 0.747994 F\n0.000061 0.981160 0.748209 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4762182676203626,
"density_atomic": 0.09110265687789305,
"volume": 131.71953937725297,
"volume_molar": 6.610280058101502,
"formula_full": "Li2 Mn2 F8",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3441813952298851,
"spacegroup": 12
},
{
"id": "jvasp-98737",
"created_at": "2022-09-04T14:36:02.270387Z",
"updated_at": "2022-09-04T14:36:02.270408Z",
"structure_string": "Mn4 Tl4 Cl12\n1.0\n7.047352 -0.000000 0.000000\n0.000000 7.045364 0.000000\n0.000000 0.000000 10.054376\nMn Tl Cl\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.970927 0.004698 0.750000 Tl\n0.529073 0.504698 0.250000 Tl\n0.029073 0.995301 0.250000 Tl\n0.470927 0.495301 0.750000 Tl\n0.499726 0.045768 0.250000 Cl\n-0.000274 0.454232 0.250000 Cl\n0.716694 0.283461 0.522847 Cl\n0.716694 0.283461 0.977153 Cl\n0.216694 0.216539 0.522847 Cl\n0.783305 0.783461 0.022847 Cl\n0.283306 0.716539 0.477153 Cl\n0.283306 0.716539 0.022847 Cl\n0.783305 0.783461 0.477153 Cl\n0.216694 0.216539 0.977153 Cl\n0.500273 0.954231 0.750000 Cl\n0.000274 0.545768 0.750000 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Tl",
"Cl"
],
"chemical_system": "Cl-Mn-Tl",
"density": 4.865485520102556,
"density_atomic": 0.04006318507209497,
"volume": 499.21143224157953,
"volume_molar": 15.03160756979997,
"formula_full": "Mn4 Tl4 Cl12",
"formula_reduced": "MnTlCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.611358408775862,
"spacegroup": 62
},
{
"id": "jvasp-68275",
"created_at": "2022-09-04T14:36:02.271445Z",
"updated_at": "2022-09-04T14:36:02.271465Z",
"structure_string": "Be1 Fe1 Rh2\n1.0\n-1.760671 1.760671 3.943812\n1.760671 -1.760671 3.943812\n1.760671 1.760671 -3.943812\nBe Fe Rh\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Fe\n0.000000 0.000000 0.000000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Rh"
],
"chemical_system": "Be-Fe-Rh",
"density": 9.190807836811471,
"density_atomic": 0.08179511622170202,
"volume": 48.9026751812196,
"volume_molar": 7.362469837046573,
"formula_full": "Be1 Fe1 Rh2",
"formula_reduced": "BeFeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7289019000000003,
"spacegroup": 119
},
{
"id": "jvasp-92860",
"created_at": "2022-09-04T14:36:02.273789Z",
"updated_at": "2022-09-04T14:36:02.273813Z",
"structure_string": "Mg6 Nb1 Bi1\n1.0\n6.284085 0.109079 0.000000\n-3.047578 5.496714 0.000000\n0.000000 0.000000 5.069760\nMg Nb Bi\n6 1 1\ndirect\n0.155681 0.819013 0.250000 Mg\n0.680987 0.344319 0.250000 Mg\n0.662516 0.837483 0.250000 Mg\n0.330597 0.655814 0.750000 Mg\n0.844186 0.169403 0.750000 Mg\n0.834282 0.665718 0.750000 Mg\n0.159945 0.340055 0.250000 Nb\n0.331807 0.168193 0.750000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Bi"
],
"chemical_system": "Bi-Mg-Nb",
"density": 4.204944396537157,
"density_atomic": 0.04524783199355812,
"volume": 176.80405110103288,
"volume_molar": 13.309236033358163,
"formula_full": "Mg6 Nb1 Bi1",
"formula_reduced": "Mg6NbBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2006272499999999,
"spacegroup": 38
},
{
"id": "jvasp-97545",
"created_at": "2022-09-04T14:36:02.277788Z",
"updated_at": "2022-09-04T14:36:02.277807Z",
"structure_string": "La4 Ge6 O18\n1.0\n7.322635 0.004677 -2.612938\n0.074015 2.883433 8.389132\n-0.049899 -2.900796 8.447959\nLa Ge O\n4 6 18\ndirect\n0.799773 0.915181 0.868210 La\n0.200227 0.084818 0.131790 La\n0.816920 0.225345 0.190341 La\n0.183080 0.774654 0.809659 La\n0.485536 0.323079 0.337040 Ge\n0.072977 0.425958 0.426801 Ge\n0.514464 0.676920 0.662961 Ge\n0.513489 0.764190 0.238014 Ge\n0.486511 0.235809 0.761987 Ge\n0.927023 0.574041 0.573200 Ge\n0.681773 0.217778 0.400521 O\n0.970867 0.883556 0.422397 O\n0.029133 0.116443 0.577604 O\n0.463586 0.117005 0.649284 O\n0.536414 0.882994 0.350717 O\n0.011017 0.577541 0.120018 O\n0.988983 0.422458 0.879983 O\n0.318226 0.782221 0.599480 O\n0.322829 0.964005 0.989163 O\n0.481895 0.351584 0.870550 O\n0.327647 0.487356 0.466969 O\n0.672353 0.512643 0.533032 O\n0.715651 0.675480 0.822554 O\n0.677171 0.035994 0.010837 O\n0.992080 0.709297 0.290215 O\n0.007920 0.290702 0.709786 O\n0.518105 0.648415 0.129451 O\n0.284349 0.324519 0.177446 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"Ge",
"O"
],
"chemical_system": "Ge-La-O",
"density": 5.955359999461598,
"density_atomic": 0.07848619376346166,
"volume": 356.75064183116336,
"volume_molar": 7.672866361884322,
"formula_full": "La4 Ge6 O18",
"formula_reduced": "La2(GeO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.275890667857143,
"spacegroup": 2
},
{
"id": "jvasp-48492",
"created_at": "2022-09-04T14:36:02.279620Z",
"updated_at": "2022-09-04T14:36:02.279646Z",
"structure_string": "V6 O7 F5\n1.0\n4.603064 0.001247 -0.026268\n0.097583 5.512425 0.077597\n0.112182 0.597698 7.657779\nV O F\n6 7 5\ndirect\n0.524674 0.833235 0.642213 V\n0.491698 0.493261 0.997081 V\n0.502860 0.185043 0.365462 V\n-0.000617 0.344781 0.674284 V\n0.973516 0.644236 0.311428 V\n0.007390 0.000169 0.006371 V\n0.192622 0.292304 0.905267 O\n0.300749 0.454627 0.235398 O\n0.299075 0.135929 0.575123 O\n0.692021 0.544225 0.765028 O\n0.796827 0.696183 0.093347 O\n0.799850 0.374871 0.439183 O\n0.711947 0.870800 0.425614 O\n0.215751 0.960328 0.235338 F\n0.793390 0.036759 0.772213 F\n0.698967 0.194904 0.113113 F\n0.295447 0.799240 0.886528 F\n0.203816 0.639098 0.557007 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.385437459837023,
"density_atomic": 0.09273134030154333,
"volume": 194.1091322682028,
"volume_molar": 6.494180651780974,
"formula_full": "V6 O7 F5",
"formula_reduced": "V6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.804875061805556,
"spacegroup": 1
},
{
"id": "jvasp-69255",
"created_at": "2022-09-04T14:36:02.286350Z",
"updated_at": "2022-09-04T14:36:02.286378Z",
"structure_string": "Ba1 Ga1 Cl2\n1.0\n5.034887 0.000000 0.000000\n0.000000 5.034887 0.000000\n0.000000 0.000000 4.239948\nBa Ga Cl\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Cl"
],
"chemical_system": "Ba-Cl-Ga",
"density": 4.294228643717075,
"density_atomic": 0.03721516982115864,
"volume": 107.48305111121122,
"volume_molar": 16.18195157764971,
"formula_full": "Ba1 Ga1 Cl2",
"formula_reduced": "BaGaCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-90418",
"created_at": "2022-09-04T14:36:02.288883Z",
"updated_at": "2022-09-04T14:36:02.288910Z",
"structure_string": "Cu1 Br2 N6\n1.0\n-4.058108 -4.058108 0.000000\n-4.058108 -0.000000 -4.058108\n0.000000 -4.058108 -4.058108\nCu Br N\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n0.650754 0.349247 0.349247 N\n0.650754 0.349247 0.650754 N\n0.650754 0.650754 0.349247 N\n0.349247 0.650754 0.650754 N\n0.349247 0.650754 0.349247 N\n0.349247 0.349247 0.650754 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cu",
"Br",
"N"
],
"chemical_system": "Br-Cu-N",
"density": 3.8189499612357616,
"density_atomic": 0.06733513126440058,
"volume": 133.65979735986957,
"volume_molar": 8.9435345961579,
"formula_full": "Cu1 Br2 N6",
"formula_reduced": "Cu(BrN3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.259222017777777,
"spacegroup": 225
}
]
}