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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1185",
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"results": [
{
"id": "jvasp-21260",
"created_at": "2022-09-04T14:38:09.552311Z",
"updated_at": "2022-09-04T14:38:09.552330Z",
"structure_string": "Na4 B4 Se14\n1.0\n6.388181 0.000000 2.040320\n2.820555 7.354564 2.189687\n-0.018086 0.040392 11.077386\nNa B Se\n4 4 14\ndirect\n0.672848 0.181807 0.034883 Na\n0.889537 0.318192 0.465118 Na\n0.327153 0.818192 0.965118 Na\n0.110463 0.681807 0.534883 Na\n0.835748 0.614180 0.150239 B\n0.600168 0.885819 0.349761 B\n0.164253 0.385819 0.849761 B\n0.399833 0.114180 0.650240 B\n0.913278 0.901236 0.275406 Se\n0.089920 0.598763 0.224595 Se\n0.630282 0.854165 0.669610 Se\n0.154057 0.645834 0.830391 Se\n0.369718 0.145834 0.330391 Se\n0.845944 0.354165 0.169609 Se\n0.197986 0.218352 0.022373 Se\n0.802014 0.781647 0.977628 Se\n0.438710 0.281648 0.477628 Se\n0.910080 0.401236 0.775406 Se\n0.482422 0.250000 0.750000 Se\n0.517578 0.749999 0.250000 Se\n0.561290 0.718351 0.522373 Se\n0.086723 0.098763 0.724595 Se\n",
"nsites": 22,
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"elements": [
"Na",
"B",
"Se"
],
"chemical_system": "B-Na-Se",
"density": 3.9589094183152067,
"density_atomic": 0.04227681795548125,
"volume": 520.3797509823623,
"volume_molar": 14.244545950316066,
"formula_full": "Na4 B4 Se14",
"formula_reduced": "Na2B2Se7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.8620651575757576,
"spacegroup": 15
},
{
"id": "jvasp-36702",
"created_at": "2022-09-04T14:38:09.548260Z",
"updated_at": "2022-09-04T14:38:09.548285Z",
"structure_string": "Ca2 Tc2 N6\n1.0\n1.887934 2.939808 1.032761\n0.009686 -0.021045 -6.383957\n-5.497072 2.938609 1.683992\nCa Tc N\n2 2 6\ndirect\n0.379741 0.759480 0.672958 Ca\n0.620261 0.240521 0.327042 Ca\n0.154269 0.308538 0.848172 Tc\n0.845733 0.691464 0.151828 Tc\n0.156639 0.313276 0.578916 N\n0.679415 0.358829 0.991180 N\n0.998756 0.997510 0.098962 N\n0.843363 0.686725 0.421085 N\n0.001246 0.002492 0.901039 N\n0.320587 0.641173 0.008821 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Tc",
"N"
],
"chemical_system": "Ca-N-Tc",
"density": 4.322315328383124,
"density_atomic": 0.07226503590438785,
"volume": 138.37950642176062,
"volume_molar": 8.333408659711663,
"formula_full": "Ca2 Tc2 N6",
"formula_reduced": "CaTcN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.249884334,
"spacegroup": 12
},
{
"id": "jvasp-55701",
"created_at": "2022-09-04T14:38:09.547990Z",
"updated_at": "2022-09-04T14:38:09.548014Z",
"structure_string": "Ca1 H12 Cl2 O6\n1.0\n3.921329 -6.791942 -0.000000\n3.921329 6.791942 0.000000\n-0.000000 -0.000000 3.877679\nCa H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.439168 0.338508 0.104815 H\n0.661492 0.100660 0.104815 H\n0.100660 0.661492 0.895185 H\n0.338508 0.439168 0.895185 H\n0.560832 0.899341 0.895185 H\n0.899341 0.560832 0.104815 H\n0.348427 0.115087 0.527103 H\n0.766661 0.651574 0.527103 H\n0.115087 0.348427 0.472897 H\n0.651574 0.766661 0.472897 H\n0.233339 0.884913 0.472897 H\n0.884913 0.233339 0.527103 H\n0.666667 0.333333 0.427783 Cl\n0.333333 0.666667 0.572217 Cl\n0.685842 0.000000 0.000000 O\n0.785366 0.785366 0.500000 O\n0.214634 0.000000 0.500000 O\n0.000000 0.214634 0.500000 O\n0.314158 0.314158 0.000000 O\n0.000000 0.685842 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O",
"density": 1.7612222595351472,
"density_atomic": 0.10166938455462324,
"volume": 206.55185523147796,
"volume_molar": 5.9232587925862035,
"formula_full": "Ca1 H12 Cl2 O6",
"formula_reduced": "CaH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.66289664547619,
"spacegroup": 150
},
{
"id": "jvasp-37486",
"created_at": "2022-09-04T14:38:09.543915Z",
"updated_at": "2022-09-04T14:38:09.543936Z",
"structure_string": "Yb1 Ac1 Cd2\n1.0\n-0.000000 3.925917 3.925917\n3.925917 -0.000000 3.925917\n3.925917 3.925917 0.000000\nYb Ac Cd\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ac",
"Cd"
],
"chemical_system": "Ac-Cd-Yb",
"density": 8.57392885005252,
"density_atomic": 0.033052678139547355,
"volume": 121.01893780322814,
"volume_molar": 18.219826951918126,
"formula_full": "Yb1 Ac1 Cd2",
"formula_reduced": "AcYbCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-46396",
"created_at": "2022-09-04T14:38:09.530023Z",
"updated_at": "2022-09-04T14:38:09.530039Z",
"structure_string": "Na4 Mn4 O6\n1.0\n0.000000 5.691439 0.056448\n6.299065 0.000000 0.000000\n0.000000 -2.691217 -5.527442\nNa Mn O\n4 4 6\ndirect\n0.064780 0.362670 0.758451 Na\n0.564780 0.137330 0.758451 Na\n0.435219 0.862670 0.241549 Na\n0.935219 0.637331 0.241548 Na\n0.480320 0.621182 0.697986 Mn\n0.019679 0.121182 0.302013 Mn\n0.980320 0.878819 0.697986 Mn\n0.519679 0.378818 0.302013 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.241668 0.879108 0.552817 O\n0.258331 0.379108 0.447182 O\n0.741668 0.620893 0.552817 O\n0.758331 0.120893 0.447182 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.433032018192178,
"density_atomic": 0.07099175688888183,
"volume": 197.20599423836163,
"volume_molar": 8.482873257279735,
"formula_full": "Na4 Mn4 O6",
"formula_reduced": "Na2Mn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.127570426108374,
"spacegroup": 14
},
{
"id": "jvasp-35203",
"created_at": "2022-09-04T14:38:09.529033Z",
"updated_at": "2022-09-04T14:38:09.529053Z",
"structure_string": "Li8 P4 O14\n1.0\n5.489584 -0.022955 0.001954\n-0.862439 5.677765 -0.030198\n-1.308957 -2.539527 9.451671\nLi P O\n8 4 14\ndirect\n0.195451 0.894270 0.193795 Li\n0.804548 0.105731 0.806204 Li\n0.589130 0.315197 0.420234 Li\n0.410869 0.684804 0.579765 Li\n0.697810 0.760808 0.302044 Li\n0.302189 0.239193 0.697955 Li\n0.694929 0.688723 0.000133 Li\n0.305070 0.311279 -0.000134 Li\n0.968459 0.777149 0.569122 P\n0.031540 0.222852 0.430877 P\n0.833346 0.291294 0.131380 P\n0.166653 0.708707 0.868619 P\n0.057279 0.759180 0.003930 O\n0.694772 0.669325 0.485470 O\n0.305227 0.330676 0.514529 O\n0.327778 0.979284 0.875067 O\n0.672220 0.020717 0.124932 O\n0.942720 0.240821 0.996069 O\n0.043088 0.369403 0.263125 O\n0.535902 0.025091 0.247663 O\n0.353278 0.533097 0.866741 O\n0.646721 0.466904 0.133259 O\n0.956910 0.630597 0.736874 O\n0.033243 0.957053 0.345973 O\n0.464097 0.974910 0.752336 O\n0.966755 0.042948 0.654027 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"P",
"O"
],
"chemical_system": "Li-O-P",
"density": 2.2784855814437437,
"density_atomic": 0.0884339190607398,
"volume": 294.004837466744,
"volume_molar": 6.8097635205602085,
"formula_full": "Li8 P4 O14",
"formula_reduced": "Li4P2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.265019653846154,
"spacegroup": 2
},
{
"id": "jvasp-37173",
"created_at": "2022-09-04T14:38:09.527671Z",
"updated_at": "2022-09-04T14:38:09.527691Z",
"structure_string": "Na1 Ce1 Se2\n1.0\n-2.130970 -3.690948 -0.000000\n-4.261940 -0.000000 -0.000000\n-2.130970 -1.230316 -6.912904\nNa Ce Se\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.746382 0.746380 0.760859 Se\n0.253620 0.253619 0.239141 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ce",
"Se"
],
"chemical_system": "Ce-Na-Se",
"density": 4.9021117678959785,
"density_atomic": 0.03678359798209895,
"volume": 108.74412019038033,
"volume_molar": 16.37180996522071,
"formula_full": "Na1 Ce1 Se2",
"formula_reduced": "NaCeSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6382103083333335,
"spacegroup": 166
},
{
"id": "jvasp-47011",
"created_at": "2022-09-04T14:38:09.523553Z",
"updated_at": "2022-09-04T14:38:09.523576Z",
"structure_string": "Li4 Mn1 O1 F4\n1.0\n-0.000000 0.000000 3.989027\n3.393524 -3.393523 1.994514\n3.393523 3.393524 -1.994514\nLi Mn O F\n4 1 1 4\ndirect\n0.586260 0.203968 0.376488 Li\n0.209772 0.376488 0.796031 Li\n0.790229 0.623511 0.203968 Li\n0.413740 0.796031 0.623511 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 O\n0.106340 0.207680 0.420357 F\n0.314020 0.579642 0.207680 F\n0.685981 0.420357 0.792319 F\n0.893661 0.792319 0.579642 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.157410309546821,
"density_atomic": 0.10884320121697852,
"volume": 91.87528378612309,
"volume_molar": 5.53285891324979,
"formula_full": "Li4 Mn1 O1 F4",
"formula_reduced": "Li4MnOF4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 0.7885741871379309,
"spacegroup": 87
},
{
"id": "jvasp-49946",
"created_at": "2022-09-04T14:38:09.522862Z",
"updated_at": "2022-09-04T14:38:09.522889Z",
"structure_string": "Na2 Ti2 O5\n1.0\n0.000000 3.695391 0.000000\n-5.873701 1.847696 -0.128710\n-1.031103 0.000000 5.667307\nNa Ti O\n2 2 5\ndirect\n0.601672 0.796659 0.351049 Na\n0.398330 0.203341 0.648952 Na\n0.146182 0.707637 0.896471 Ti\n0.853819 0.292362 0.103529 Ti\n0.127597 0.744806 0.592825 O\n0.678143 0.643715 0.003933 O\n0.321858 0.356285 0.996068 O\n0.872404 0.255193 0.407175 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 9,
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"elements": [
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"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 2.980975833424626,
"density_atomic": 0.07287281233656065,
"volume": 123.5028498479488,
"volume_molar": 8.263906067172135,
"formula_full": "Na2 Ti2 O5",
"formula_reduced": "Na2Ti2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.0921491296296293,
"spacegroup": 12
},
{
"id": "jvasp-59263",
"created_at": "2022-09-04T14:38:09.522359Z",
"updated_at": "2022-09-04T14:38:09.522379Z",
"structure_string": "Li10 Ga2 O8\n1.0\n6.381627 -0.000000 0.000000\n-0.000000 6.381627 0.000000\n0.000000 0.000000 4.685440\nLi Ga O\n10 2 8\ndirect\n0.000000 0.500000 0.976369 Li\n0.763995 0.763995 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.523631 Li\n0.236005 0.236005 0.500000 Li\n0.000000 0.500000 0.476369 Li\n0.736006 0.263995 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.023631 Li\n0.263995 0.736006 0.000000 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.994304 0.241124 0.234191 O\n0.758877 0.005697 0.765809 O\n0.741124 0.505697 0.734191 O\n0.241124 0.994304 0.765809 O\n0.258876 0.494303 0.734191 O\n0.494303 0.258876 0.265809 O\n0.505697 0.741124 0.265809 O\n0.005697 0.758877 0.234191 O\n",
"nsites": 20,
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"elements": [
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"Ga",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 2.931392568025448,
"density_atomic": 0.10481339341268614,
"volume": 190.81530850979289,
"volume_molar": 5.745583235043992,
"formula_full": "Li10 Ga2 O8",
"formula_reduced": "Li5GaO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.3228116325,
"spacegroup": 94
},
{
"id": "jvasp-14511",
"created_at": "2022-09-04T14:38:09.519811Z",
"updated_at": "2022-09-04T14:38:09.519832Z",
"structure_string": "La1 S1\n1.0\n3.599475 -0.000000 2.078157\n1.199825 3.393617 2.078157\n0.000000 0.000000 4.156316\nLa S\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500000 0.500000 S\n",
"nsites": 2,
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"elements": [
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],
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"density": 5.591903339947056,
"density_atomic": 0.03939303558224147,
"volume": 50.770395589965844,
"volume_molar": 15.287323434182877,
"formula_full": "La1 S1",
"formula_reduced": "LaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1043374999999997,
"spacegroup": 225
},
{
"id": "jvasp-29619",
"created_at": "2022-09-04T14:38:09.518071Z",
"updated_at": "2022-09-04T14:38:09.518084Z",
"structure_string": "In2 Sb4 Se8 Br2\n1.0\n4.003904 0.000116 0.693532\n1.270325 9.586660 4.571958\n0.021968 -0.007854 11.776928\nIn Sb Se Br\n2 4 8 2\ndirect\n0.662410 0.112242 0.562822 In\n0.337588 0.887759 0.437178 In\n0.703568 0.687822 0.904968 Sb\n0.296430 0.312179 0.095033 Sb\n0.048608 0.678109 0.224713 Sb\n0.951390 0.321891 0.775287 Sb\n0.098067 0.828200 0.975622 Se\n0.678854 0.499200 0.143107 Se\n0.321144 0.500800 0.856893 Se\n0.462816 0.860676 0.213702 Se\n0.213792 0.916199 0.656193 Se\n0.537182 0.139325 0.786298 Se\n0.786206 0.083802 0.343807 Se\n0.901931 0.171801 0.024378 Se\n0.102159 0.327373 0.468194 Br\n0.897839 0.672628 0.531806 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-In-Sb-Se",
"density": 5.540196460780698,
"density_atomic": 0.0353954534773725,
"volume": 452.0354573286773,
"volume_molar": 17.01388220340168,
"formula_full": "In2 Sb4 Se8 Br2",
"formula_reduced": "InSb2Se4Br",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1415137177083332,
"spacegroup": 12
}
]
}