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=volume_molar&page=949",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=947",
"results": [
{
"id": "jvasp-89494",
"created_at": "2022-09-04T14:35:45.835212Z",
"updated_at": "2022-09-04T14:35:45.835238Z",
"structure_string": "Tm6 Mn6 O18\n1.0\n6.077632 0.000000 0.000000\n-3.038817 5.263384 0.000000\n0.000000 0.000000 11.415452\nTm Mn O\n6 6 18\ndirect\n0.666666 0.333333 0.727558 Tm\n0.000000 0.000000 0.773282 Tm\n0.333332 0.666667 0.227558 Tm\n0.666666 0.333333 0.227558 Tm\n0.000000 0.000000 0.273282 Tm\n0.333332 0.666667 0.727558 Tm\n0.333502 0.333503 0.497198 Mn\n0.666497 -0.000000 0.497198 Mn\n0.333503 -0.000000 0.997198 Mn\n-0.000000 0.333503 0.997198 Mn\n0.666496 0.666497 0.997198 Mn\n-0.000001 0.666497 0.497198 Mn\n0.304821 0.304821 0.661983 O\n0.638631 -0.000000 0.332772 O\n-0.000001 0.695178 0.661983 O\n0.333332 0.666667 0.017925 O\n0.304822 -0.000000 0.161983 O\n0.000000 0.000000 0.972890 O\n0.695177 0.695178 0.161983 O\n-0.000001 0.638631 0.332772 O\n0.361368 -0.000000 0.832772 O\n-0.000000 0.304821 0.161983 O\n0.333332 0.666667 0.517924 O\n-0.000000 0.361368 0.832772 O\n0.695178 -0.000000 0.661983 O\n0.000000 0.000000 0.472890 O\n0.638631 0.638631 0.832772 O\n0.666666 0.333333 0.517924 O\n0.361368 0.361368 0.332772 O\n0.666666 0.333333 0.017925 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Tm",
"density": 7.41770903200749,
"density_atomic": 0.08215399485558227,
"volume": 365.16787835742764,
"volume_molar": 7.330307881663289,
"formula_full": "Tm6 Mn6 O18",
"formula_reduced": "TmMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.148274398275862,
"spacegroup": 185
},
{
"id": "jvasp-108827",
"created_at": "2022-09-04T14:38:49.608567Z",
"updated_at": "2022-09-04T14:38:49.608599Z",
"structure_string": "Mo2 H1 O6\n1.0\n7.886037 0.047847 -0.015021\n6.969136 3.690935 -0.015021\n-0.008213 -0.002067 3.807380\nMo H O\n2 1 6\ndirect\n0.907420 0.907422 0.240113 Mo\n0.090978 0.090977 0.743727 Mo\n0.241669 0.241667 0.980526 H\n0.085851 0.085850 0.244262 O\n0.945182 0.945184 0.741193 O\n0.427286 0.427287 0.241293 O\n0.575812 0.575812 0.744383 O\n0.797993 0.797995 0.231379 O\n0.213809 0.213808 0.747825 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mo",
"H",
"O"
],
"chemical_system": "H-Mo-O",
"density": 4.378825302658949,
"density_atomic": 0.08215368167986263,
"volume": 109.5507811210616,
"volume_molar": 7.33033582532204,
"formula_full": "Mo2 H1 O6",
"formula_reduced": "Mo2HO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.606833644444445,
"spacegroup": 8
},
{
"id": "jvasp-11075",
"created_at": "2022-09-04T14:37:14.260815Z",
"updated_at": "2022-09-04T14:37:14.260842Z",
"structure_string": "Ba3 Si3 O9\n1.0\n5.177586 -0.011129 5.373321\n2.160258 4.705401 5.373321\n-0.017397 -0.011129 7.461881\nBa Si O\n3 3 9\ndirect\n0.786585 0.786584 0.786584 Ba\n0.213416 0.213415 0.213415 Ba\n0.000000 0.000000 0.000000 Ba\n0.619753 0.619752 0.619752 Si\n0.380248 0.380247 0.380247 Si\n0.500000 0.500000 0.500000 Si\n0.300012 0.300011 0.724959 O\n0.300012 0.724959 0.300011 O\n0.724960 0.300011 0.300011 O\n0.275041 0.699988 0.699988 O\n0.699989 0.699988 0.275040 O\n0.699989 0.275040 0.699988 O\n0.500001 0.500000 -0.000001 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Si",
"O"
],
"chemical_system": "Ba-O-Si",
"density": 5.822446909273802,
"density_atomic": 0.08215050807525352,
"volume": 182.59168873623193,
"volume_molar": 7.330619007837968,
"formula_full": "Ba3 Si3 O9",
"formula_reduced": "BaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5713030139999995,
"spacegroup": 166
},
{
"id": "jvasp-91490",
"created_at": "2022-09-04T14:36:08.623731Z",
"updated_at": "2022-09-04T14:36:08.623763Z",
"structure_string": "Li4 Ta4 Si4 O20\n1.0\n7.517398 -0.014904 0.000000\n-3.701996 6.552322 0.000000\n0.000000 0.000000 7.917233\nLi Ta Si O\n4 4 4 20\ndirect\n0.751130 0.308654 0.434216 Li\n0.248870 0.691346 0.565783 Li\n0.751130 0.808654 0.065783 Li\n0.248870 0.191347 0.934216 Li\n0.748430 0.007466 0.739446 Ta\n0.748430 0.507466 0.760553 Ta\n0.251570 0.992534 0.260553 Ta\n0.251570 0.492534 0.239447 Ta\n0.749575 0.740498 0.387928 Si\n0.749575 0.240499 0.112072 Si\n0.250425 0.259502 0.612072 Si\n0.250425 0.759502 0.887928 Si\n0.055368 0.649533 0.757968 O\n0.245033 0.935133 0.006957 O\n0.055368 0.149533 0.742031 O\n0.260639 0.588730 0.010535 O\n0.248950 0.247206 0.171812 O\n0.754967 0.564867 0.506957 O\n0.751050 0.752794 0.828187 O\n0.245033 0.435133 0.493043 O\n0.739361 0.411271 0.989464 O\n0.751050 0.252795 0.671812 O\n0.944632 0.350467 0.242031 O\n0.260640 0.088730 0.489464 O\n0.754967 0.064868 0.993043 O\n0.739360 0.911271 0.510535 O\n0.557332 0.148172 0.245540 O\n0.944632 0.850467 0.257968 O\n0.248950 0.747206 0.328187 O\n0.442668 0.851828 0.754459 O\n0.442668 0.351828 0.745540 O\n0.557332 0.648172 0.254459 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Ta",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ta",
"density": 5.0467216454194,
"density_atomic": 0.08214866757929713,
"volume": 389.53766315334065,
"volume_molar": 7.330783246346509,
"formula_full": "Li4 Ta4 Si4 O20",
"formula_reduced": "LiTaSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.9232981625,
"spacegroup": 14
},
{
"id": "jvasp-37011",
"created_at": "2022-09-04T14:38:03.795600Z",
"updated_at": "2022-09-04T14:38:03.795633Z",
"structure_string": "Ti1 N1\n1.0\n2.300416 2.300416 -0.000000\n2.300416 0.000000 -2.300416\n-0.000000 2.300416 -2.300416\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"N"
],
"chemical_system": "N-Ti",
"density": 4.219937806482018,
"density_atomic": 0.08214494842837122,
"volume": 24.347206228316775,
"volume_molar": 7.331115150983616,
"formula_full": "Ti1 N1",
"formula_reduced": "TiN",
"formula_anonymous": "AB",
"energy_above_hull": 2.198750791666667,
"spacegroup": 216
},
{
"id": "jvasp-71442",
"created_at": "2022-09-04T14:35:55.020181Z",
"updated_at": "2022-09-04T14:35:55.020213Z",
"structure_string": "Be2 Nb1 Rh1\n1.0\n2.835594 -0.000000 0.000000\n0.000000 2.835594 0.000000\n0.000000 0.000000 6.056106\nBe Nb Rh\n2 1 1\ndirect\n0.000000 0.000000 0.700430 Be\n0.000000 0.000000 0.299570 Be\n0.499999 0.499999 0.000000 Nb\n0.499999 0.499999 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Rh"
],
"chemical_system": "Be-Nb-Rh",
"density": 7.292036762891099,
"density_atomic": 0.08214448777617057,
"volume": 48.69468552654809,
"volume_molar": 7.331156262620183,
"formula_full": "Be2 Nb1 Rh1",
"formula_reduced": "Be2NbRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9244411500000003,
"spacegroup": 123
},
{
"id": "jvasp-101829",
"created_at": "2022-09-04T14:36:55.063251Z",
"updated_at": "2022-09-04T14:36:55.063276Z",
"structure_string": "H4 C6 S2 O4\n1.0\n4.481041 -0.127399 1.672479\n0.062840 6.212370 2.272410\n-0.034179 -0.058347 6.960962\nH C S O\n4 6 2 4\ndirect\n0.745524 0.838919 0.994729 H\n0.689835 0.557262 0.115200 H\n0.745848 0.339764 0.495490 H\n0.690670 0.058038 0.615430 H\n0.672686 0.709989 0.151257 C\n0.673197 0.210583 0.651851 C\n0.156497 0.244177 0.652368 C\n0.156013 0.744271 0.151566 C\n0.357608 0.745863 0.275947 C\n0.358040 0.246070 0.776673 C\n0.248901 0.797943 0.501228 S\n0.249201 0.297928 0.002069 S\n0.254806 0.279729 0.456254 O\n0.254193 0.780533 0.955345 O\n0.867776 0.704918 0.270964 O\n0.868145 0.205477 0.771660 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7409829492675772,
"density_atomic": 0.08214091956773245,
"volume": 194.78720331109253,
"volume_molar": 7.331474728663358,
"formula_full": "H4 C6 S2 O4",
"formula_reduced": "H2C3SO2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.326515875,
"spacegroup": 1
},
{
"id": "jvasp-11745",
"created_at": "2022-09-04T14:37:07.852068Z",
"updated_at": "2022-09-04T14:37:07.852084Z",
"structure_string": "Ba1 Co2 P2 O8\n1.0\n4.660454 0.035601 6.932213\n2.139927 4.140267 6.932213\n0.057976 0.035601 8.352966\nBa Co P O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.168439 0.168441 0.168441 Co\n0.831562 0.831559 0.831559 Co\n0.425235 0.425235 0.425236 P\n0.574765 0.574765 0.574764 P\n0.758075 0.143908 0.438778 O\n0.143909 0.438778 0.758074 O\n0.438779 0.758075 0.143907 O\n0.241926 0.856092 0.561221 O\n0.856092 0.561223 0.241925 O\n0.639274 0.639273 0.639270 O\n0.561222 0.241925 0.856092 O\n0.360729 0.360728 0.360727 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Co",
"P",
"O"
],
"chemical_system": "Ba-Co-O-P",
"density": 4.670379596836325,
"density_atomic": 0.0821397931955933,
"volume": 158.26677295186366,
"volume_molar": 7.331575264208336,
"formula_full": "Ba1 Co2 P2 O8",
"formula_reduced": "BaCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.817328982307693,
"spacegroup": 148
},
{
"id": "jvasp-34584",
"created_at": "2022-09-04T14:37:17.061284Z",
"updated_at": "2022-09-04T14:37:17.061305Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.330307 -0.002258\n4.254087 0.000000 0.000000\n0.000000 -0.518344 -7.930356\nSi O\n4 8\ndirect\n0.554106 0.417150 0.805349 Si\n0.862326 0.010323 0.321456 Si\n0.137675 0.010323 0.678544 Si\n0.445896 0.417150 0.194652 Si\n0.500000 0.329569 0.000000 O\n0.372380 0.771070 0.793909 O\n0.000000 0.850586 0.500000 O\n0.891372 0.225266 0.785461 O\n0.375088 0.282955 0.633676 O\n0.624914 0.282955 0.366325 O\n0.627622 0.771070 0.206092 O\n0.108629 0.225266 0.214540 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.73172863490787,
"density_atomic": 0.08213886670838925,
"volume": 146.09405365431442,
"volume_molar": 7.331657960877282,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5195852000000003,
"spacegroup": 3
},
{
"id": "jvasp-50502",
"created_at": "2022-09-04T14:37:05.464780Z",
"updated_at": "2022-09-04T14:37:05.464805Z",
"structure_string": "Bi4 B4 O14\n1.0\n5.842142 0.042648 -0.043767\n2.081771 6.077719 0.049015\n2.267166 2.100690 7.567451\nBi B O\n4 4 14\ndirect\n0.302910 0.251953 0.876969 Bi\n0.774818 0.545287 0.674774 Bi\n0.225182 0.454713 0.325226 Bi\n0.697090 0.748048 0.123031 Bi\n0.257506 0.755950 0.891001 B\n0.876670 0.998898 0.710616 B\n0.123329 0.001103 0.289384 B\n0.742494 0.244051 0.108999 B\n0.616880 0.372716 0.245615 O\n0.152014 0.132565 0.380143 O\n0.294045 0.783363 0.309501 O\n0.968815 0.068048 0.168892 O\n0.828642 0.622803 0.391107 O\n0.171358 0.377197 0.608893 O\n0.383120 0.627285 0.754385 O\n0.705955 0.216638 0.690499 O\n0.847986 0.867435 0.619857 O\n0.158713 0.582125 0.053503 O\n0.841287 0.417875 0.946497 O\n0.419493 0.859603 0.922844 O\n0.031185 0.931953 0.831108 O\n0.580507 0.140398 0.077156 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-O",
"density": 6.839297918755018,
"density_atomic": 0.08213867662488411,
"volume": 267.8397181935489,
"volume_molar": 7.331674927637657,
"formula_full": "Bi4 B4 O14",
"formula_reduced": "Bi2B2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.883660751515152,
"spacegroup": 2
},
{
"id": "jvasp-107195",
"created_at": "2022-09-04T14:36:58.838261Z",
"updated_at": "2022-09-04T14:36:58.838286Z",
"structure_string": "Mg2 Co6\n1.0\n5.196085 0.000000 0.000000\n-2.598043 4.499942 0.000000\n0.000000 -0.000000 4.165424\nMg Co\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333334 0.666666 0.749999 Mg\n0.158615 0.317230 0.250000 Co\n0.682771 0.841385 0.250000 Co\n0.158615 0.841385 0.250000 Co\n0.841386 0.158615 0.749999 Co\n0.317230 0.158615 0.749999 Co\n0.841386 0.682770 0.749999 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Co"
],
"chemical_system": "Co-Mg",
"density": 6.857387435369555,
"density_atomic": 0.08213865913782509,
"volume": 97.39628189664441,
"volume_molar": 7.331676488527905,
"formula_full": "Mg2 Co6",
"formula_reduced": "MgCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.386305285714286,
"spacegroup": 194
},
{
"id": "jvasp-39582",
"created_at": "2022-09-04T14:37:52.899520Z",
"updated_at": "2022-09-04T14:37:52.899546Z",
"structure_string": "U2 Ga2 O5\n1.0\n4.027974 -0.000000 0.000000\n0.000000 4.027974 -0.000000\n-0.000000 -0.000000 6.753507\nU Ga O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 0.791318 Ga\n0.500000 0.500000 0.208682 Ga\n0.000000 0.500000 0.762103 O\n0.000000 0.500000 0.237897 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.762103 O\n0.500000 0.000000 0.237897 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"U",
"Ga",
"O"
],
"chemical_system": "Ga-O-U",
"density": 10.54008400697222,
"density_atomic": 0.08213718940077176,
"volume": 109.57277775949119,
"volume_molar": 7.331807679242814,
"formula_full": "U2 Ga2 O5",
"formula_reduced": "U2Ga2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.8072637944444443,
"spacegroup": 123
}
]
}