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=created_at&page=71",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=69",
"results": [
{
"id": "jvasp-86062",
"created_at": "2022-09-04T14:35:42.984816Z",
"updated_at": "2022-09-04T14:35:42.984840Z",
"structure_string": "K1 Ni1 Au3 C6 N6\n1.0\n6.687148 0.000000 -0.000000\n-3.343574 5.791240 0.000000\n0.000000 0.000000 7.792918\nK Ni Au C N\n1 1 3 6 6\ndirect\n0.666667 0.333333 0.500000 K\n0.000000 0.000000 0.500000 Ni\n0.496594 0.503406 0.000000 Au\n0.006813 0.503406 0.000000 Au\n0.496595 0.993188 0.000000 Au\n0.338048 0.992730 0.784541 C\n0.007270 0.345317 0.784541 C\n0.007270 0.661952 0.215460 C\n0.338048 0.345317 0.215460 C\n0.654684 0.661952 0.784541 C\n0.654684 0.992730 0.215460 C\n0.242245 0.245936 0.339916 N\n0.754065 0.757756 0.660085 N\n0.242245 0.996308 0.660085 N\n0.754065 0.996308 0.339916 N\n0.003692 0.757756 0.339916 N\n0.003692 0.245936 0.660085 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Ni",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-K-N-Ni",
"density": 4.648236774143747,
"density_atomic": 0.05632955450255732,
"volume": 301.79539231449473,
"volume_molar": 10.69090784257241,
"formula_full": "K1 Ni1 Au3 C6 N6",
"formula_reduced": "KNiAu3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.060283682941176,
"spacegroup": 149
},
{
"id": "jvasp-62982",
"created_at": "2022-09-04T14:35:42.985577Z",
"updated_at": "2022-09-04T14:35:42.985605Z",
"structure_string": "Au6 F18\n1.0\n2.547289 -4.412034 0.000000\n2.547289 4.412034 -0.000000\n-0.000000 -0.000000 16.628551\nAu F\n6 18\ndirect\n0.516821 0.758411 0.583333 Au\n0.241590 0.483180 0.250000 Au\n0.241590 0.758411 0.916667 Au\n0.483180 0.241590 0.083333 Au\n0.758411 0.516821 0.750000 Au\n0.758411 0.241590 0.416667 Au\n0.789828 0.317712 0.004485 F\n0.472117 0.789828 0.171152 F\n0.317712 0.527883 0.837818 F\n0.210172 0.682289 0.504485 F\n0.210172 0.527883 0.662182 F\n0.472117 0.682289 0.995515 F\n0.317712 0.789828 0.328848 F\n0.789828 0.472117 0.162182 F\n0.842278 0.842278 0.666667 F\n0.682289 0.210172 0.828848 F\n0.682289 0.472117 0.337818 F\n0.157722 0.000000 0.000000 F\n0.000000 0.157722 0.333333 F\n0.157722 0.157722 0.166667 F\n0.842278 0.000001 0.500000 F\n0.000001 0.842278 0.833333 F\n0.527883 0.317712 0.495515 F\n0.527883 0.210172 0.671152 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Au",
"F"
],
"chemical_system": "Au-F",
"density": 6.769665883928107,
"density_atomic": 0.06421104953668551,
"volume": 373.7674461509643,
"volume_molar": 9.378667384278447,
"formula_full": "Au6 F18",
"formula_reduced": "AuF3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.499999999997174e-05,
"spacegroup": 178
},
{
"id": "jvasp-63910",
"created_at": "2022-09-04T14:35:42.988411Z",
"updated_at": "2022-09-04T14:35:42.988437Z",
"structure_string": "Ba4 Ge1 Sb1\n1.0\n-0.000000 4.902421 4.902421\n4.902421 -0.000000 4.902421\n4.902421 4.902421 -0.000000\nBa Ge Sb\n4 1 1\ndirect\n0.123933 0.625355 0.625355 Ba\n0.625355 0.625355 0.625355 Ba\n0.625355 0.123933 0.625355 Ba\n0.625355 0.625355 0.123933 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Sb"
],
"chemical_system": "Ba-Ge-Sb",
"density": 5.240705352301041,
"density_atomic": 0.02546181995418805,
"volume": 235.64694160886557,
"volume_molar": 23.651650867201486,
"formula_full": "Ba4 Ge1 Sb1",
"formula_reduced": "Ba4GeSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2873376549999999,
"spacegroup": 216
},
{
"id": "jvasp-97880",
"created_at": "2022-09-04T14:35:42.993152Z",
"updated_at": "2022-09-04T14:35:42.993184Z",
"structure_string": "Ca12 Te12 O36\n1.0\n5.725459 0.000000 0.000000\n0.000000 8.293594 -0.070276\n0.000000 0.156966 21.106276\nCa Te O\n12 12 36\ndirect\n0.227938 0.960772 0.941658 Ca\n0.166902 0.073031 0.777330 Ca\n0.647913 0.811071 0.817546 Ca\n0.147913 0.688929 0.682454 Ca\n0.666902 0.426969 0.722670 Ca\n0.833098 0.926969 0.222670 Ca\n0.727938 0.539228 0.558342 Ca\n0.333098 0.573031 0.277330 Ca\n0.272062 0.460772 0.441658 Ca\n0.852087 0.311071 0.317546 Ca\n0.772062 0.039228 0.058342 Ca\n0.352087 0.188929 0.182454 Ca\n0.758547 0.164765 0.490481 Te\n0.258547 0.335235 0.009519 Te\n0.730133 0.205716 0.877567 Te\n0.150722 0.569733 0.837181 Te\n0.230133 0.294284 0.622433 Te\n0.349278 0.069733 0.337181 Te\n0.849278 0.430267 0.162819 Te\n0.650722 0.930267 0.662819 Te\n0.241453 0.835235 0.509519 Te\n0.769868 0.705716 0.377566 Te\n0.741454 0.664765 0.990481 Te\n0.269867 0.794284 0.122433 Te\n0.356857 0.226633 0.701811 O\n0.507681 0.304576 0.510373 O\n0.856857 0.273367 0.798189 O\n0.577956 0.126116 0.275299 O\n0.596535 0.510603 0.374216 O\n0.903465 0.010604 0.874216 O\n0.096535 0.989396 0.125784 O\n0.946804 0.402484 0.645052 O\n0.053197 0.597516 0.354948 O\n0.234291 0.362427 0.097755 O\n0.422044 0.873884 0.724701 O\n0.992319 0.804575 0.010373 O\n0.242099 0.278226 0.360060 O\n0.980169 0.330803 0.499350 O\n0.922044 0.626116 0.775299 O\n0.112236 0.053356 0.275051 O\n0.403465 0.489397 0.625784 O\n0.765710 0.637573 0.902245 O\n0.734291 0.137573 0.402245 O\n0.492319 0.695424 0.489627 O\n0.446803 0.097517 0.854948 O\n0.143143 0.726633 0.201811 O\n0.887765 0.946644 0.724949 O\n0.612236 0.446644 0.224949 O\n0.553197 0.902483 0.145052 O\n0.757901 0.721774 0.639940 O\n0.480169 0.169197 0.000650 O\n0.519831 0.830803 0.999350 O\n0.019831 0.669197 0.500650 O\n0.077956 0.373884 0.224701 O\n0.257901 0.778226 0.860060 O\n0.742100 0.221774 0.139940 O\n0.387765 0.553356 0.775051 O\n0.643143 0.773367 0.298189 O\n0.265710 0.862427 0.597755 O\n0.007681 0.195425 0.989627 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Ca",
"Te",
"O"
],
"chemical_system": "Ca-O-Te",
"density": 4.287859102419312,
"density_atomic": 0.05986309820633877,
"volume": 1002.2869146062129,
"volume_molar": 10.059854802774524,
"formula_full": "Ca12 Te12 O36",
"formula_reduced": "CaTeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.213049737333333,
"spacegroup": 14
},
{
"id": "jvasp-86040",
"created_at": "2022-09-04T14:35:42.994374Z",
"updated_at": "2022-09-04T14:35:42.994394Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019727 0.000000 0.000000\n0.000000 5.268986 -0.998042\n0.000000 -0.000889 7.567791\nLa C N Cl\n2 2 4 2\ndirect\n0.750001 0.175295 0.737057 La\n0.250000 0.824706 0.262943 La\n0.750001 0.348100 0.358924 C\n0.250000 0.651901 0.641076 C\n0.250000 0.431030 0.659352 N\n0.250000 0.876263 0.618955 N\n0.750001 0.123737 0.381045 N\n0.750001 0.568970 0.340648 N\n0.750001 0.744022 0.956204 Cl\n0.250000 0.255979 0.043797 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-La-N",
"density": 4.4420710071080585,
"density_atomic": 0.06239027939623119,
"volume": 160.28137871432693,
"volume_molar": 9.652370238245446,
"formula_full": "La2 C2 N4 Cl2",
"formula_reduced": "LaCN2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6241911135,
"spacegroup": 11
},
{
"id": "jvasp-93432",
"created_at": "2022-09-04T14:35:42.996788Z",
"updated_at": "2022-09-04T14:35:42.996809Z",
"structure_string": "Ca2 Cl4\n1.0\n4.136001 0.000000 0.000000\n0.000000 6.170146 0.000000\n0.000000 0.000000 6.486739\nCa Cl\n2 4\ndirect\n0.000000 0.894044 0.749985 Ca\n0.500000 0.394043 0.250016 Ca\n0.500000 0.133145 0.908138 Cl\n0.000000 0.633146 0.091863 Cl\n0.000000 0.154811 0.408068 Cl\n0.500000 0.654811 0.591932 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl",
"density": 2.226573145092978,
"density_atomic": 0.036245053963146735,
"volume": 165.53982803007227,
"volume_molar": 16.615069096388147,
"formula_full": "Ca2 Cl4",
"formula_reduced": "CaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0007,
"spacegroup": 58
},
{
"id": "jvasp-68284",
"created_at": "2022-09-04T14:35:42.997789Z",
"updated_at": "2022-09-04T14:35:42.997807Z",
"structure_string": "Na2 Be1 Fe1\n1.0\n-2.305752 2.305752 3.260133\n2.305752 -2.305752 3.260133\n2.305752 2.305752 -3.260133\nNa Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.749999 0.499999 Na\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Na",
"density": 2.6546805483956852,
"density_atomic": 0.057695174884367866,
"volume": 69.32988777686805,
"volume_molar": 10.43785857668257,
"formula_full": "Na2 Be1 Fe1",
"formula_reduced": "Na2BeFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1657574,
"spacegroup": 216
},
{
"id": "jvasp-86937",
"created_at": "2022-09-04T14:35:42.998814Z",
"updated_at": "2022-09-04T14:35:42.998840Z",
"structure_string": "Ce2 Fe17\n1.0\n6.225033 0.052178 0.834874\n0.737245 6.181441 0.834874\n0.058278 0.052178 6.280497\nCe Fe\n2 17\ndirect\n0.344263 0.344263 0.344263 Ce\n0.655736 0.655737 0.655736 Ce\n0.846686 0.336637 0.336637 Fe\n0.153313 0.663363 0.663363 Fe\n0.663362 0.663363 0.153313 Fe\n0.663363 0.153313 0.663363 Fe\n0.294746 1.000000 0.705253 Fe\n-0.000000 0.705253 0.294746 Fe\n0.705253 0.294747 1.000000 Fe\n0.336637 0.336637 0.846687 Fe\n0.294746 0.705253 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909180 0.909181 0.909180 Fe\n0.090819 0.090819 0.090819 Fe\n0.336636 0.846687 0.336637 Fe\n1.000000 0.294747 0.705253 Fe\n0.705253 0.000000 0.294746 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ce",
"Fe"
],
"chemical_system": "Ce-Fe",
"density": 8.47595080867232,
"density_atomic": 0.0788733225913613,
"volume": 240.8926031738011,
"volume_molar": 7.635206128186596,
"formula_full": "Ce2 Fe17",
"formula_reduced": "Ce2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.164656552631579,
"spacegroup": 166
},
{
"id": "jvasp-48133",
"created_at": "2022-09-04T14:35:43.000298Z",
"updated_at": "2022-09-04T14:35:43.000326Z",
"structure_string": "Fe4 O7 F1\n1.0\n-0.054825 4.348805 2.874746\n-0.054825 4.348805 -2.874746\n-4.348805 0.054825 -2.874746\nFe O F\n4 7 1\ndirect\n0.775224 0.750000 0.525224 Fe\n0.241490 0.250000 0.491490 Fe\n0.500495 0.489711 0.990207 Fe\n0.979916 0.010290 0.990207 Fe\n0.547826 0.250000 0.797826 O\n0.060850 0.750001 0.810851 O\n0.503108 0.801032 0.696944 O\n-0.002026 0.306166 0.696943 O\n0.503108 0.193835 0.304139 O\n-0.002026 0.698969 0.304139 O\n0.942198 0.250000 0.192198 O\n0.449853 0.750000 0.199853 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.412661704047361,
"density_atomic": 0.11037759651224777,
"volume": 108.71771427518311,
"volume_molar": 5.455944820588451,
"formula_full": "Fe4 O7 F1",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.9702005652083336,
"spacegroup": 44
},
{
"id": "jvasp-85921",
"created_at": "2022-09-04T14:35:43.000841Z",
"updated_at": "2022-09-04T14:35:43.000870Z",
"structure_string": "Li3 Ti4 O8\n1.0\n4.924304 0.005371 0.000000\n-0.055348 4.958575 0.000000\n0.000000 0.000000 5.699993\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.500000 0.016274 Li\n0.500000 -0.000000 0.769424 Li\n0.500000 -0.000000 0.262328 Li\n0.499999 0.500000 0.755459 Ti\n0.000000 0.000000 0.515914 Ti\n0.499999 0.500000 0.276423 Ti\n0.000000 0.000000 0.015868 Ti\n0.185206 0.230121 0.772738 O\n0.185175 0.230166 0.259066 O\n0.682460 0.264475 0.015936 O\n0.814792 0.769879 0.772738 O\n0.814824 0.769835 0.259066 O\n0.671037 0.250663 0.515915 O\n0.328962 0.749338 0.515915 O\n0.317539 0.735526 0.015936 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 4.059869578490325,
"density_atomic": 0.10777298378846846,
"volume": 139.18144856637974,
"volume_molar": 5.587801829649593,
"formula_full": "Li3 Ti4 O8",
"formula_reduced": "Li3Ti4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.847980088888889,
"spacegroup": 10
},
{
"id": "jvasp-105929",
"created_at": "2022-09-04T14:35:43.002370Z",
"updated_at": "2022-09-04T14:35:43.002387Z",
"structure_string": "Mg2 Ga2 S5\n1.0\n3.719815 0.000000 0.000000\n-1.859907 3.221454 0.000000\n-0.000000 0.000000 15.263042\nMg Ga S\n2 2 5\ndirect\n0.333332 0.666666 0.099375 Mg\n0.666666 0.333333 0.900625 Mg\n0.333332 0.666666 0.668985 Ga\n0.666666 0.333333 0.331015 Ga\n0.333332 0.666666 0.397153 S\n0.666666 0.333333 0.602847 S\n0.333332 0.666666 0.813255 S\n0.666666 0.333333 0.186745 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"S"
],
"chemical_system": "Ga-Mg-S",
"density": 3.1629271118419076,
"density_atomic": 0.049207141201567266,
"volume": 182.9002819556879,
"volume_molar": 12.238347144231561,
"formula_full": "Mg2 Ga2 S5",
"formula_reduced": "Mg2Ga2S5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.7795680833333335,
"spacegroup": 164
},
{
"id": "jvasp-48262",
"created_at": "2022-09-04T14:35:43.003897Z",
"updated_at": "2022-09-04T14:35:43.003932Z",
"structure_string": "Li2 Fe3 O6\n1.0\n-5.044531 -0.061346 -0.037641\n-0.800341 -0.242190 4.780825\n-1.600812 3.904831 2.389958\nLi Fe O\n2 3 6\ndirect\n-0.000001 0.665419 0.667292 Li\n0.000000 0.334583 0.332708 Li\n0.499998 0.322676 0.838662 Fe\n0.500000 0.000001 0.499999 Fe\n0.500001 0.677327 0.161337 Fe\n0.722312 0.000012 0.752470 O\n0.712639 0.658273 0.438407 O\n0.712639 0.341751 0.096668 O\n0.287361 0.658252 0.903331 O\n0.287361 0.341729 0.561592 O\n0.277688 -0.000011 0.247529 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.720938525793691,
"density_atomic": 0.11273129547674152,
"volume": 97.577163053799,
"volume_molar": 5.342031007922263,
"formula_full": "Li2 Fe3 O6",
"formula_reduced": "Li2(FeO2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.722397045454545,
"spacegroup": 12
}
]
}