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=energy_above_hull&page=3466",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3464",
"results": [
{
"id": "jvasp-46766",
"created_at": "2022-09-04T14:38:07.706079Z",
"updated_at": "2022-09-04T14:38:07.706108Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n-1.773814 1.582198 4.543495\n-7.532286 -0.360497 0.185043\n0.499184 -7.524367 -0.185044\nLi Mn Si O\n4 2 4 12\ndirect\n0.496756 0.795957 0.584946 Li\n0.250000 0.794785 0.794784 Li\n0.003246 0.584947 0.795958 Li\n0.750001 0.221340 0.221341 Li\n0.750001 0.960680 0.960680 Mn\n0.250000 0.184274 0.184274 Mn\n0.858210 0.777501 0.368567 Si\n0.353054 0.616120 0.198899 Si\n0.641791 0.368566 0.777501 Si\n0.146947 0.198899 0.616120 Si\n0.832807 0.217570 0.978015 O\n0.295112 0.363124 0.702477 O\n0.374194 0.400929 0.166419 O\n0.808319 0.276807 0.625440 O\n0.204889 0.702477 0.363124 O\n0.667194 0.978015 0.217570 O\n0.691682 0.625440 0.276807 O\n0.138648 0.752208 -0.003753 O\n0.878207 0.792528 0.585826 O\n0.125806 0.166419 0.400929 O\n0.621795 0.585825 0.792528 O\n0.361352 -0.003753 0.752207 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.8931244043107367,
"density_atomic": 0.08672475780453723,
"volume": 253.67611921827717,
"volume_molar": 6.943969533559119,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6724923128526643,
"spacegroup": 5
},
{
"id": "jvasp-119735",
"created_at": "2022-09-04T14:38:54.193553Z",
"updated_at": "2022-09-04T14:38:54.193571Z",
"structure_string": "Li6 Ti4 Mn2 O12\n1.0\n5.209751 -0.000036 -2.573963\n2.053114 6.198380 0.894688\n-0.017749 0.230501 6.548860\nLi Ti Mn O\n6 4 2 12\ndirect\n0.749989 0.333350 0.166643 Li\n0.250027 0.333296 0.166691 Li\n0.741648 0.005975 0.488238 Li\n0.244857 0.001309 0.488233 Li\n0.758385 0.660690 0.845094 Li\n0.255130 0.665358 0.845096 Li\n-0.025729 0.021512 -0.025227 Ti\n0.486517 0.026903 0.972028 Ti\n0.525722 0.645156 0.358550 Ti\n0.013477 0.639764 0.361298 Ti\n0.982199 0.360346 0.644033 Mn\n0.517792 0.306319 0.689295 Mn\n0.872019 0.337707 0.904753 O\n0.623703 -0.011257 0.745417 O\n0.120780 0.017587 0.750453 O\n0.876291 0.677927 0.587908 O\n0.379216 0.649081 0.582872 O\n0.632312 0.675901 0.102842 O\n0.134168 0.677059 0.106992 O\n0.867685 0.990769 0.230480 O\n0.365834 0.989605 0.226340 O\n0.627979 0.328956 0.428565 O\n0.135532 0.326180 0.428330 O\n0.364457 0.340486 0.904999 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.252546705991242,
"density_atomic": 0.11488712034496805,
"volume": 208.90070120946484,
"volume_molar": 5.241789281442082,
"formula_full": "Li6 Ti4 Mn2 O12",
"formula_reduced": "Li3Ti2MnO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.6725795756704978,
"spacegroup": 2
},
{
"id": "jvasp-45808",
"created_at": "2022-09-04T14:38:08.030190Z",
"updated_at": "2022-09-04T14:38:08.030217Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n2.906680 4.870972 0.135227\n-2.906680 4.870972 -0.135227\n-0.168183 0.000000 9.269872\nLi Mn Si O\n4 2 4 12\ndirect\n0.598965 0.718746 0.880243 Li\n0.281254 0.401035 0.380243 Li\n0.718747 0.598964 0.619756 Li\n0.401035 0.281253 0.119756 Li\n0.252131 0.252130 0.750000 Mn\n0.747870 0.747869 0.250000 Mn\n0.136671 0.796773 0.632413 Si\n0.203227 0.863329 0.132413 Si\n0.796773 0.136670 0.867587 Si\n0.863329 0.203226 0.367587 Si\n0.761217 0.513087 0.417011 O\n0.486913 0.238782 0.917011 O\n0.000000 0.000000 0.000000 O\n0.120122 0.120122 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.368149 0.851449 0.704766 O\n0.513087 0.761217 0.082989 O\n0.238783 0.486912 0.582989 O\n0.148550 0.631851 0.204766 O\n0.851450 0.368148 0.795234 O\n0.879878 0.879877 0.750000 O\n0.631852 0.148550 0.295234 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.7935965669080702,
"density_atomic": 0.0837412955031254,
"volume": 262.7138721442268,
"volume_molar": 7.1913632620780765,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.672598676489028,
"spacegroup": 15
},
{
"id": "jvasp-97704",
"created_at": "2022-09-04T14:35:49.196797Z",
"updated_at": "2022-09-04T14:35:49.196822Z",
"structure_string": "Ba12 Mn10 O32\n1.0\n5.738801 0.000000 0.000000\n-2.869401 6.638510 -0.000000\n0.000000 -0.000000 20.099536\nBa Mn O\n12 10 32\ndirect\n0.121408 0.242815 0.839358 Ba\n0.645685 0.291370 0.981266 Ba\n0.354315 0.708630 0.018734 Ba\n0.854315 0.708630 0.481266 Ba\n0.145685 0.291370 0.518734 Ba\n0.914174 0.828347 0.678509 Ba\n0.878592 0.757185 0.160642 Ba\n0.585826 0.171653 0.178509 Ba\n0.414174 0.828347 0.821491 Ba\n0.621408 0.242815 0.660642 Ba\n0.378592 0.757185 0.339358 Ba\n0.085826 0.171653 0.321491 Ba\n0.877200 0.754401 0.906291 Mn\n0.122800 0.245599 0.093709 Mn\n0.622800 0.245599 0.406291 Mn\n0.377200 0.754401 0.593709 Mn\n0.000000 0.000000 0.000000 Mn\n0.749881 0.499762 0.811126 Mn\n0.750119 0.500238 0.311126 Mn\n0.249881 0.499762 0.688874 Mn\n0.500000 0.000000 0.500000 Mn\n0.250119 0.500238 0.188874 Mn\n0.884975 0.769950 0.314149 O\n0.588092 0.176185 0.316016 O\n0.411908 0.823815 0.683984 O\n0.615025 0.230050 0.814149 O\n0.384975 0.769950 0.185851 O\n0.943005 0.450996 0.385331 O\n0.987689 0.475379 0.250000 O\n0.492009 0.549004 0.614669 O\n0.556995 0.549004 0.885331 O\n0.007991 0.450996 0.114669 O\n0.056995 0.549004 0.614669 O\n0.507991 0.450996 0.385331 O\n0.443005 0.450996 0.114669 O\n0.992009 0.549004 0.885331 O\n0.794324 0.037586 0.069274 O\n0.756738 0.962414 0.930726 O\n0.705676 0.962414 0.569274 O\n0.743262 0.037586 0.430726 O\n0.205676 0.962414 0.930726 O\n0.243262 0.037586 0.069274 O\n0.294324 0.037586 0.430726 O\n0.256738 0.962414 0.569274 O\n0.855096 0.710193 0.002516 O\n0.144904 0.289807 -0.002516 O\n0.644904 0.289807 0.502516 O\n0.355096 0.710193 0.497484 O\n0.911908 0.823815 0.816017 O\n0.088092 0.176185 0.183984 O\n0.012311 0.524621 0.750000 O\n0.487689 0.475379 0.250000 O\n0.512311 0.524621 0.750000 O\n0.115025 0.230050 0.685851 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.875245508477547,
"density_atomic": 0.07052059191800421,
"volume": 765.7337882640995,
"volume_molar": 8.539549365952674,
"formula_full": "Ba12 Mn10 O32",
"formula_reduced": "Ba6Mn5O16",
"formula_anonymous": "A5B6C16",
"energy_above_hull": 2.6727502972924646,
"spacegroup": 64
},
{
"id": "jvasp-31319",
"created_at": "2022-09-04T14:38:34.888033Z",
"updated_at": "2022-09-04T14:38:34.888058Z",
"structure_string": "Nb4 Ni4 As8\n1.0\n3.543403 0.000000 0.000000\n-0.000000 5.676785 0.000000\n0.000000 0.000000 12.662546\nNb Ni As\n4 4 8\ndirect\n0.749999 0.992048 0.171029 Nb\n0.250000 0.007953 0.828972 Nb\n0.749999 0.492047 0.328972 Nb\n0.250000 0.507954 0.671029 Nb\n0.749999 0.978406 0.411123 Ni\n0.250000 0.021595 0.588877 Ni\n0.749999 0.478405 0.088877 Ni\n0.250000 0.521596 0.911123 Ni\n0.749999 0.851716 0.691078 As\n0.250000 0.148285 0.308923 As\n0.749999 0.351716 0.808923 As\n0.250000 0.648285 0.191077 As\n0.749999 0.801049 0.963252 As\n0.250000 0.198951 0.036748 As\n0.749999 0.301049 0.536749 As\n0.250000 0.698952 0.463252 As\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"Ni",
"As"
],
"chemical_system": "As-Nb-Ni",
"density": 7.860863090636291,
"density_atomic": 0.06281682067137181,
"volume": 254.70884755063466,
"volume_molar": 9.586828329795644,
"formula_full": "Nb4 Ni4 As8",
"formula_reduced": "NbNiAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.672766325,
"spacegroup": 62
},
{
"id": "jvasp-34214",
"created_at": "2022-09-04T14:37:12.551580Z",
"updated_at": "2022-09-04T14:37:12.551594Z",
"structure_string": "U1 Bi2 O6\n1.0\n1.946742 -3.371855 -0.000000\n1.946742 3.371855 0.000000\n-0.000000 0.000000 9.709011\nU Bi O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 U\n0.666666 0.333333 0.342057 Bi\n0.333333 0.666666 0.657943 Bi\n0.666666 0.333333 0.580584 O\n0.333333 0.666666 0.419416 O\n0.666666 0.333333 0.953518 O\n0.333333 0.666666 0.046482 O\n0.000000 0.000000 0.210581 O\n0.000000 0.000000 0.789418 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"U",
"Bi",
"O"
],
"chemical_system": "Bi-O-U",
"density": 9.796628477774787,
"density_atomic": 0.07060902776285995,
"volume": 127.4624546626878,
"volume_molar": 8.528853817709159,
"formula_full": "U1 Bi2 O6",
"formula_reduced": "U(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.672922844444445,
"spacegroup": 164
},
{
"id": "jvasp-40636",
"created_at": "2022-09-04T14:37:26.973476Z",
"updated_at": "2022-09-04T14:37:26.973501Z",
"structure_string": "Si4 O10\n1.0\n-3.008464 6.344778 2.516483\n3.008464 -6.344778 2.516483\n3.008464 6.344778 -2.516483\nSi O\n4 10\ndirect\n0.566606 0.052919 0.719018 Si\n0.333900 0.847586 0.280981 Si\n0.833901 0.052919 0.986313 Si\n0.066605 0.847586 0.013686 Si\n0.497559 0.997558 0.499999 O\n0.997558 0.997558 0.000000 O\n0.278585 0.828673 0.817065 O\n0.011607 0.461518 0.182934 O\n0.511607 0.828673 0.050088 O\n0.778586 0.461518 0.949911 O\n0.722806 0.918625 0.580793 O\n0.337834 0.142013 0.419206 O\n0.837833 0.918625 0.695820 O\n0.222806 0.142013 0.304180 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.353633894357978,
"density_atomic": 0.07286396385318314,
"volume": 192.1388744127238,
"volume_molar": 8.26490962272418,
"formula_full": "Si4 O10",
"formula_reduced": "Si2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.6731521,
"spacegroup": 46
},
{
"id": "jvasp-10080",
"created_at": "2022-09-04T14:38:09.694829Z",
"updated_at": "2022-09-04T14:38:09.694845Z",
"structure_string": "Ca1 Zr1 Si2 O7\n1.0\n4.692422 0.006965 -0.589257\n-0.861946 5.340992 -1.279337\n0.004756 -0.000672 5.559301\nCa Zr Si O\n1 1 2 7\ndirect\n0.500000 0.292905 0.707095 Ca\n0.499999 0.684897 0.315103 Zr\n0.919068 0.221180 0.206381 Si\n0.080932 0.793619 0.778820 Si\n0.712747 0.412894 0.117753 O\n0.287252 0.882247 0.587106 O\n0.736231 0.036694 0.345316 O\n0.263769 0.654684 0.963306 O\n0.000001 0.060398 0.939602 O\n0.779194 0.623597 0.623710 O\n0.220805 0.376289 0.376404 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Ca",
"Zr",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zr",
"density": 3.567998021262615,
"density_atomic": 0.07892536703375251,
"volume": 139.37217416164614,
"volume_molar": 7.63017137116971,
"formula_full": "Ca1 Zr1 Si2 O7",
"formula_reduced": "CaZrSi2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.673216056363636,
"spacegroup": 5
},
{
"id": "jvasp-13147",
"created_at": "2022-09-04T14:37:08.499209Z",
"updated_at": "2022-09-04T14:37:08.499218Z",
"structure_string": "Ho1 Al8 Fe4\n1.0\n4.664618 -0.000000 1.903479\n2.332310 6.137994 0.951739\n0.013246 -0.000000 6.634777\nHo Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.339216 0.660785 0.660785 Al\n0.000001 0.339215 0.660785 Al\n0.000001 0.660785 0.339215 Al\n0.660786 0.339215 0.339215 Al\n0.279089 0.220912 0.220912 Al\n0.500001 0.779088 0.220912 Al\n0.500001 0.220912 0.779088 Al\n0.720913 0.779088 0.779088 Al\n0.500001 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Ho",
"density": 5.285523882924338,
"density_atomic": 0.068490200318735,
"volume": 189.80817605294615,
"volume_molar": 8.79270425838233,
"formula_full": "Ho1 Al8 Fe4",
"formula_reduced": "Ho(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.6732261512820514,
"spacegroup": 139
},
{
"id": "jvasp-120591",
"created_at": "2022-09-04T14:38:51.522193Z",
"updated_at": "2022-09-04T14:38:51.522220Z",
"structure_string": "Li3 Fe3 O8\n1.0\n4.949538 0.045802 2.981427\n1.706825 4.646157 2.981427\n0.064978 0.045802 5.777769\nLi Fe O\n3 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.379216 0.379216 0.379216 Li\n0.620784 0.620784 0.620785 Li\n-0.000001 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.249196 0.249196 0.789809 O\n0.789809 0.249196 0.249197 O\n0.249195 0.789809 0.249197 O\n0.761705 0.761705 0.761706 O\n0.750804 0.750804 0.210192 O\n0.210191 0.750804 0.750805 O\n0.750804 0.210191 0.750805 O\n0.238295 0.238295 0.238295 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.007550460681261,
"density_atomic": 0.10680355431685802,
"volume": 131.08177990468076,
"volume_molar": 5.638520926123764,
"formula_full": "Li3 Fe3 O8",
"formula_reduced": "Li3Fe3O8",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 2.6733074642857138,
"spacegroup": 166
},
{
"id": "jvasp-21563",
"created_at": "2022-09-04T14:38:33.067105Z",
"updated_at": "2022-09-04T14:38:33.067140Z",
"structure_string": "Pr6 Ir2 O14\n1.0\n6.701966 -0.020303 -0.000000\n-2.503010 6.217048 -0.000000\n-0.000000 0.000000 7.609635\nPr Ir O\n6 2 14\ndirect\n0.531698 0.089395 0.250000 Pr\n0.468303 0.910606 0.750000 Pr\n0.089395 0.531698 0.250000 Pr\n0.910606 0.468303 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.500000 Ir\n0.500001 0.500000 0.000000 Ir\n0.440437 0.188953 0.541602 O\n0.559564 0.811048 0.041602 O\n0.811048 0.559564 0.041602 O\n0.589756 0.589756 0.750000 O\n0.440437 0.188953 0.958397 O\n0.811048 0.559564 0.458398 O\n0.188953 0.440436 0.958397 O\n0.159623 0.897350 0.250000 O\n0.840378 0.102651 0.750000 O\n0.897350 0.159623 0.250000 O\n0.102651 0.840378 0.750000 O\n0.410245 0.410244 0.250000 O\n0.559564 0.811048 0.458398 O\n0.188953 0.440436 0.541602 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pr",
"Ir",
"O"
],
"chemical_system": "Ir-O-Pr",
"density": 7.623508095280404,
"density_atomic": 0.06947082013191386,
"volume": 316.6797219066301,
"volume_molar": 8.668590277997192,
"formula_full": "Pr6 Ir2 O14",
"formula_reduced": "Pr3IrO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.6733477409090907,
"spacegroup": 63
},
{
"id": "jvasp-118669",
"created_at": "2022-09-04T14:38:46.222178Z",
"updated_at": "2022-09-04T14:38:46.222194Z",
"structure_string": "Nb1 Al1 O3\n1.0\n4.049842 -0.000000 0.000000\n-0.000000 4.049842 0.000000\n-0.000000 0.000000 4.049842\nNb Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nb",
"Al",
"O"
],
"chemical_system": "Al-Nb-O",
"density": 4.197103181380153,
"density_atomic": 0.0752758666470528,
"volume": 66.42235051830865,
"volume_molar": 8.000094888626272,
"formula_full": "Nb1 Al1 O3",
"formula_reduced": "NbAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.67349054,
"spacegroup": 221
}
]
}