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&page=3793",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3791",
"results": [
{
"id": "jvasp-56397",
"created_at": "2022-09-04T14:37:04.136548Z",
"updated_at": "2022-09-04T14:37:04.136575Z",
"structure_string": "Tl2 Sn1 Hg1 Te4\n1.0\n6.810951 0.001602 -1.883695\n-3.943724 5.553025 -1.883695\n-0.000828 -0.001602 7.066637\nTl Sn Hg Te\n2 1 1 4\ndirect\n0.000000 0.500001 0.500001 Tl\n0.500000 0.000000 0.500001 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000001 Hg\n0.423219 0.423219 0.367828 Te\n0.576782 0.944610 0.000001 Te\n0.944609 0.576782 0.000001 Te\n0.055391 0.055391 0.632174 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Sn",
"Hg",
"Te"
],
"chemical_system": "Hg-Sn-Te-Tl",
"density": 7.694448326710578,
"density_atomic": 0.02993188571093361,
"volume": 267.27350482558256,
"volume_molar": 20.11948334347747,
"formula_full": "Tl2 Sn1 Hg1 Te4",
"formula_reduced": "Tl2SnHgTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1351928208333334,
"spacegroup": 121
},
{
"id": "jvasp-64679",
"created_at": "2022-09-04T14:37:51.886049Z",
"updated_at": "2022-09-04T14:37:51.886063Z",
"structure_string": "K1 Ba4 Mo1\n1.0\n0.000000 5.112618 5.112618\n5.112618 0.000000 5.112618\n5.112618 5.112618 0.000000\nK Ba Mo\n1 4 1\ndirect\n0.250000 0.250000 0.250000 K\n0.118093 0.627303 0.627303 Ba\n0.627303 0.627303 0.627303 Ba\n0.627303 0.118093 0.627303 Ba\n0.627303 0.627303 0.118093 Ba\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mo"
],
"chemical_system": "Ba-K-Mo",
"density": 4.251723281272712,
"density_atomic": 0.022448701262423754,
"volume": 267.27604104399705,
"volume_molar": 26.82623234904146,
"formula_full": "K1 Ba4 Mo1",
"formula_reduced": "KBa4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9503712966666664,
"spacegroup": 216
},
{
"id": "jvasp-45407",
"created_at": "2022-09-04T14:37:07.212223Z",
"updated_at": "2022-09-04T14:37:07.212254Z",
"structure_string": "K3 Ta3 B2 O12\n1.0\n4.429886 -7.672789 -0.000000\n4.429886 7.672789 0.000000\n-0.000000 -0.000000 3.931945\nK Ta B O\n3 3 2 12\ndirect\n0.000000 0.595864 0.500001 K\n0.404137 0.404137 0.500001 K\n0.595864 0.000000 0.500001 K\n0.000000 0.246876 0.000000 Ta\n0.753124 0.753124 0.000000 Ta\n0.246876 0.000000 0.000000 Ta\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.000000 0.819145 0.000000 O\n0.263364 0.000000 0.500001 O\n0.736637 0.736637 0.500001 O\n0.000000 0.263364 0.500001 O\n0.812700 0.316715 0.000000 O\n0.187301 0.504016 0.000000 O\n0.495985 0.683286 0.000000 O\n0.316715 0.812700 0.000000 O\n0.180856 0.180856 0.000000 O\n0.504016 0.187301 0.000000 O\n0.683286 0.495985 0.000000 O\n0.819145 0.000000 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Ta",
"B",
"O"
],
"chemical_system": "B-K-O-Ta",
"density": 5.42818587906419,
"density_atomic": 0.07482500598273104,
"volume": 267.29032276476966,
"volume_molar": 8.048299737376377,
"formula_full": "K3 Ta3 B2 O12",
"formula_reduced": "K3Ta3(BO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 3.350702938333333,
"spacegroup": 189
},
{
"id": "jvasp-28767",
"created_at": "2022-09-04T14:36:39.439803Z",
"updated_at": "2022-09-04T14:36:39.439828Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.388327 -0.000000 0.000000\n-1.694163 2.934372 0.006527\n-0.000000 -0.050283 26.883989\nTe Mo W Se\n2 3 1 6\ndirect\n0.333480 0.666959 0.821033 Te\n0.333760 0.667519 0.680327 Te\n0.331832 0.663661 0.008062 Mo\n0.335305 0.670608 0.493441 Mo\n0.665894 0.331788 0.250733 Mo\n0.666965 0.333928 0.750679 W\n0.332438 0.664876 0.312187 Se\n0.665241 0.330478 0.946583 Se\n0.668747 0.337492 0.431992 Se\n0.665123 0.330245 0.069509 Se\n0.668541 0.337080 0.554921 Se\n0.332684 0.665367 0.189280 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 7.458623218610353,
"density_atomic": 0.04489368384381215,
"volume": 267.29818033531683,
"volume_molar": 13.414227223926183,
"formula_full": "Te2 Mo3 W1 Se6",
"formula_reduced": "Te2Mo3WSe6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.625822786111111,
"spacegroup": 187
},
{
"id": "jvasp-12905",
"created_at": "2022-09-04T14:38:14.096669Z",
"updated_at": "2022-09-04T14:38:14.096680Z",
"structure_string": "K4 Zn6 O8\n1.0\n5.674155 -0.005732 -1.191966\n-0.523962 5.844879 -2.522343\n-0.040679 -0.009710 8.073541\nK Zn O\n4 6 8\ndirect\n0.515707 0.764486 0.764037 K\n0.984295 0.000450 0.235963 K\n0.484294 0.235515 0.235964 K\n0.015706 -0.000449 0.764036 K\n0.584640 0.807180 0.380711 Zn\n0.415361 0.192820 0.619290 Zn\n0.915361 0.426469 0.619290 Zn\n0.750001 0.478977 0.000000 Zn\n0.250000 0.521024 0.000000 Zn\n0.084640 0.573532 0.380711 Zn\n0.717098 0.139918 0.531808 O\n0.955561 0.626288 0.886499 O\n0.544441 0.739788 0.113501 O\n0.044441 0.373713 0.113501 O\n0.455560 0.260212 0.886499 O\n0.282903 0.860083 0.468192 O\n0.217097 0.391890 0.531808 O\n0.782904 0.608110 0.468192 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Zn",
"O"
],
"chemical_system": "K-O-Zn",
"density": 4.204667965249469,
"density_atomic": 0.06733913865352104,
"volume": 267.30368638385926,
"volume_molar": 8.943002361502753,
"formula_full": "K4 Zn6 O8",
"formula_reduced": "K2Zn3O4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.2292786444444447,
"spacegroup": 15
},
{
"id": "jvasp-97983",
"created_at": "2022-09-04T14:35:41.570938Z",
"updated_at": "2022-09-04T14:35:41.570954Z",
"structure_string": "Er6 Fe2 Si6\n1.0\n4.071110 0.000000 0.670524\n2.007176 5.187230 0.507568\n0.006074 -0.044655 12.657327\nEr Fe Si\n6 2 6\ndirect\n0.748736 0.732111 0.770417 Er\n0.251264 0.267890 0.229583 Er\n0.523761 0.332192 0.620286 Er\n0.476239 0.667809 0.379714 Er\n0.399152 0.282652 0.919044 Er\n0.600848 0.717349 0.080956 Er\n0.753060 0.078505 0.415375 Fe\n0.246940 0.921496 0.584625 Fe\n0.144793 0.254408 0.456005 Si\n0.855206 0.745593 0.543995 Si\n0.115566 0.844127 0.924741 Si\n0.884433 0.155875 0.075259 Si\n0.054279 0.133744 0.757697 Si\n0.945721 0.866257 0.242303 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Fe",
"Si"
],
"chemical_system": "Er-Fe-Si",
"density": 7.974870329574519,
"density_atomic": 0.05237448236516635,
"volume": 267.305744472832,
"volume_molar": 11.498234422657044,
"formula_full": "Er6 Fe2 Si6",
"formula_reduced": "Er3FeSi3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.652850185714285,
"spacegroup": 12
},
{
"id": "jvasp-10007",
"created_at": "2022-09-04T14:38:08.615554Z",
"updated_at": "2022-09-04T14:38:08.615581Z",
"structure_string": "Ba4 Na1 Cu1 C2 O10\n1.0\n5.529373 -0.000000 -1.961529\n-0.695846 5.485413 -1.961529\n0.010719 0.012164 8.804382\nBa Na Cu C O\n4 1 1 2 10\ndirect\n0.617760 0.117760 0.235521 Ba\n0.382239 0.882238 0.764478 Ba\n0.117760 0.617760 0.235521 Ba\n0.882239 0.382239 0.764478 Ba\n0.000000 0.000000 0.000000 Na\n0.499999 0.500000 -0.000000 Cu\n0.232642 0.232642 0.465286 C\n0.767357 0.767357 0.534713 C\n0.864120 0.590386 0.454507 O\n0.148389 0.148389 0.296779 O\n0.278266 0.278267 0.005347 O\n0.727079 0.727080 0.005347 O\n0.272919 0.721732 0.994652 O\n0.851610 0.851610 0.703220 O\n0.135879 0.135879 0.545492 O\n0.590386 0.864120 0.454507 O\n0.409613 0.409613 0.545492 O\n0.721733 0.272919 0.994652 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Cu",
"C",
"O"
],
"chemical_system": "Ba-C-Cu-Na-O",
"density": 5.093019545258875,
"density_atomic": 0.06733788821136938,
"volume": 267.3086501242679,
"volume_molar": 8.943168430077403,
"formula_full": "Ba4 Na1 Cu1 C2 O10",
"formula_reduced": "Ba4NaCu(CO5)2",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 2.2529326849999998,
"spacegroup": 121
},
{
"id": "jvasp-119103",
"created_at": "2022-09-04T14:38:51.040646Z",
"updated_at": "2022-09-04T14:38:51.040679Z",
"structure_string": "Fe2 P2 H6 C2 O14\n1.0\n4.771358 0.069725 -1.493913\n-1.882365 7.316630 -0.843892\n0.067134 0.054965 7.596826\nFe P H C O\n2 2 6 2 14\ndirect\n0.466263 0.700097 0.743188 Fe\n0.533736 0.299903 0.256813 Fe\n0.856458 0.713383 0.452124 P\n0.143540 0.286617 0.547876 P\n0.041178 0.328549 0.040441 H\n0.756291 0.602771 0.080825 H\n0.958821 0.671451 0.959560 H\n0.247059 0.017769 0.602809 H\n0.752939 0.982231 0.397192 H\n0.243707 0.397230 0.919176 H\n0.625733 0.052799 0.973943 C\n0.374265 0.947201 0.026058 C\n0.273408 0.146664 0.665092 O\n0.293116 0.029112 0.146764 O\n0.706882 0.970888 0.853236 O\n0.199063 0.457415 0.694131 O\n0.800936 0.542585 0.305870 O\n0.726591 0.853337 0.334909 O\n0.706273 0.670998 0.597103 O\n0.270108 0.783961 0.940603 O\n0.242767 0.383845 0.047436 O\n0.757232 0.616155 0.952565 O\n0.293726 0.329003 0.402898 O\n0.181897 0.795552 0.549255 O\n0.729891 0.216039 0.059398 O\n0.818102 0.204448 0.450746 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Fe",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-Fe-H-O-P",
"density": 2.656876127720384,
"density_atomic": 0.097265353877501,
"volume": 267.30998205944127,
"volume_molar": 6.191455148134731,
"formula_full": "Fe2 P2 H6 C2 O14",
"formula_reduced": "FePH3CO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 3.389145038461538,
"spacegroup": 2
},
{
"id": "jvasp-43443",
"created_at": "2022-09-04T14:36:33.650829Z",
"updated_at": "2022-09-04T14:36:33.650855Z",
"structure_string": "Ag4 Au4 O12\n1.0\n-5.112869 5.112869 0.000000\n5.112869 -0.000000 5.112869\n5.112869 5.112869 0.000000\nAg Au O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n-0.000000 0.500000 0.000000 Ag\n-0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.409097 0.250000 0.840903 O\n0.159097 0.318194 0.590903 O\n0.159097 0.750000 0.159097 O\n0.590903 0.750000 0.590903 O\n0.840903 0.681806 0.409097 O\n0.590903 0.181806 0.159097 O\n0.840903 0.250000 0.840903 O\n0.590903 0.750000 0.159097 O\n0.409097 0.818194 0.840903 O\n0.840903 0.250000 0.409097 O\n0.409097 0.250000 0.409097 O\n0.159097 0.750000 0.590903 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Au",
"O"
],
"chemical_system": "Ag-Au-O",
"density": 8.7670655898887,
"density_atomic": 0.0748179842750289,
"volume": 267.31540810402663,
"volume_molar": 8.049055074596465,
"formula_full": "Ag4 Au4 O12",
"formula_reduced": "AgAuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5578330659999997,
"spacegroup": 227
},
{
"id": "jvasp-101264",
"created_at": "2022-09-04T14:36:40.495912Z",
"updated_at": "2022-09-04T14:36:40.495925Z",
"structure_string": "K4 Sb2 Au2\n1.0\n6.516438 0.012822 0.000000\n-1.808809 6.260378 0.000000\n-0.000000 -0.000000 6.549123\nK Sb Au\n4 2 2\ndirect\n0.840586 0.496938 0.750000 K\n0.503062 0.159414 0.250000 K\n0.496938 0.840586 0.750000 K\n0.159414 0.503062 0.250000 K\n0.726688 0.726688 0.250000 Sb\n0.273312 0.273312 0.750000 Sb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sb",
"Au"
],
"chemical_system": "Au-K-Sb",
"density": 4.93111057962192,
"density_atomic": 0.029926035407492817,
"volume": 267.3257546837286,
"volume_molar": 20.123416543483035,
"formula_full": "K4 Sb2 Au2",
"formula_reduced": "K2SbAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-11150",
"created_at": "2022-09-04T14:37:11.117245Z",
"updated_at": "2022-09-04T14:37:11.117259Z",
"structure_string": "P12 Ir4\n1.0\n6.627006 -0.000000 -2.343000\n-3.313503 5.739155 -2.343000\n-0.000000 -0.000000 7.029001\nP Ir\n12 4\ndirect\n0.506870 0.860773 0.646097 P\n0.214677 0.860773 0.353904 P\n0.785324 0.139228 0.646096 P\n0.139228 0.353904 0.493131 P\n0.493132 0.139228 0.353904 P\n0.139228 0.646097 0.785324 P\n0.353904 0.214677 0.860773 P\n0.860774 0.646097 0.506869 P\n0.646097 0.785324 0.139228 P\n0.860773 0.353904 0.214677 P\n0.646097 0.506869 0.860773 P\n0.353905 0.493132 0.139228 P\n0.500000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500001 0.500000 0.500000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Ir"
],
"chemical_system": "Ir-P",
"density": 7.084442838132842,
"density_atomic": 0.05984957346927936,
"volume": 267.33690939690257,
"volume_molar": 10.062128117071962,
"formula_full": "P12 Ir4",
"formula_reduced": "P3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2255419,
"spacegroup": 204
},
{
"id": "jvasp-112657",
"created_at": "2022-09-04T14:38:42.112905Z",
"updated_at": "2022-09-04T14:38:42.112921Z",
"structure_string": "Nb3 Ir1 Se8\n1.0\n5.721812 0.001032 3.918546\n1.510208 5.518914 3.918546\n0.264495 0.201880 8.754457\nNb Ir Se\n3 1 8\ndirect\n0.500000 0.499999 0.000001 Nb\n0.500000 -0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Ir\n0.032159 0.032158 0.262222 Se\n0.536431 0.536430 0.262645 Se\n0.545690 0.033065 0.260461 Se\n0.033066 0.545690 0.260461 Se\n0.454311 0.966934 0.739540 Se\n0.966935 0.454309 0.739540 Se\n0.967843 0.967841 0.737779 Se\n0.463570 0.463569 0.737356 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.847552938719102,
"density_atomic": 0.04487900313822943,
"volume": 267.3856182375406,
"volume_molar": 13.418615251884106,
"formula_full": "Nb3 Ir1 Se8",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.2216971861111108,
"spacegroup": 12
}
]
}