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=-nelements&page=127",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=125",
"results": [
{
"id": "jvasp-60695",
"created_at": "2022-09-04T14:37:05.226203Z",
"updated_at": "2022-09-04T14:37:05.226226Z",
"structure_string": "K2 V6 Se4 O24\n1.0\n3.565649 -6.175885 -0.000000\n3.565650 6.175885 0.000000\n0.000000 -0.000000 11.348484\nK V Se O\n2 6 4 24\ndirect\n0.333333 0.666667 0.947450 K\n0.666667 0.333333 0.447450 K\n0.789448 0.123402 0.783761 V\n0.666046 0.789448 0.283762 V\n0.123402 0.333954 0.283762 V\n0.876598 0.666046 0.783761 V\n0.333954 0.210553 0.783761 V\n0.210552 0.876599 0.283762 V\n0.000000 0.000000 0.056290 Se\n0.000000 0.000000 0.556290 Se\n0.333333 0.666667 0.516645 Se\n0.666667 0.333333 0.016646 Se\n0.746955 0.874457 0.817275 O\n0.919609 0.458611 0.757511 O\n0.080391 0.541390 0.257511 O\n0.458611 0.539002 0.257511 O\n0.539002 0.080391 0.757511 O\n0.253045 0.125543 0.317275 O\n0.127502 0.253045 0.817275 O\n0.125543 0.872499 0.817275 O\n0.874457 0.127502 0.317275 O\n0.872498 0.746955 0.317275 O\n0.120368 0.866444 0.123458 O\n0.198638 0.784062 0.450216 O\n0.866444 0.746076 0.623458 O\n0.133556 0.253924 0.123458 O\n0.746076 0.879632 0.123458 O\n0.879632 0.133556 0.623458 O\n0.541389 0.460998 0.757511 O\n0.414576 0.198638 0.950215 O\n0.784062 0.585424 0.950215 O\n0.215938 0.414576 0.450216 O\n0.585424 0.801362 0.450216 O\n0.801362 0.215938 0.950215 O\n0.253924 0.120368 0.623458 O\n0.460998 0.919609 0.257511 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"V",
"Se",
"O"
],
"chemical_system": "K-O-Se-V",
"density": 3.6003185906370616,
"density_atomic": 0.07202724519038069,
"volume": 499.81086885727285,
"volume_molar": 8.360920571212215,
"formula_full": "K2 V6 Se4 O24",
"formula_reduced": "KV3(SeO6)2",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.956606629629629,
"spacegroup": 173
},
{
"id": "jvasp-101868",
"created_at": "2022-09-04T14:36:48.247733Z",
"updated_at": "2022-09-04T14:36:48.247754Z",
"structure_string": "Sn1 H16 C9 O4\n1.0\n4.794270 -0.008918 -0.437245\n-1.013013 6.433339 -1.818513\n0.075948 0.256275 8.912866\nSn H C O\n1 16 9 4\ndirect\n0.294381 0.357413 0.627663 Sn\n0.676262 0.715791 0.998110 H\n0.016927 0.678448 0.677513 H\n0.223159 0.941913 0.526873 H\n0.036603 0.049521 0.388950 H\n0.891424 0.030161 0.566272 H\n0.895759 0.888202 0.156403 H\n0.161027 0.647119 0.862797 H\n0.385416 0.768978 0.747177 H\n0.484926 0.871842 0.320760 H\n0.868136 0.644597 0.329554 H\n0.670493 0.455773 0.174587 H\n0.906921 0.219369 0.018847 H\n0.801347 0.994114 0.873456 H\n0.327136 -0.031877 0.016260 H\n0.541785 0.135938 0.177346 H\n0.291619 0.677820 0.163807 H\n0.548308 0.018542 0.067935 C\n0.715758 0.113507 0.957532 C\n0.651322 0.583840 0.275087 C\n0.507448 0.745982 0.219243 C\n0.549798 0.224066 0.861878 C\n0.493468 0.491901 0.386980 C\n0.203492 0.652278 0.744847 C\n0.085049 0.054784 0.512213 C\n0.672655 0.837169 0.106420 C\n0.636727 0.436791 0.496542 O\n0.666393 0.283481 0.750040 O\n0.300402 0.252187 0.880837 O\n0.228616 0.469057 0.380008 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8374251562734096,
"density_atomic": 0.10815364131293553,
"volume": 277.38317116107953,
"volume_molar": 5.5681350039573125,
"formula_full": "Sn1 H16 C9 O4",
"formula_reduced": "SnH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.51264919,
"spacegroup": 1
},
{
"id": "jvasp-28769",
"created_at": "2022-09-04T14:37:05.451067Z",
"updated_at": "2022-09-04T14:37:05.451092Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.254693 0.000019 -0.000129\n-1.627329 2.818652 -0.000022\n-0.001378 -0.001046 34.001510\nMo W Se S\n2 2 4 4\ndirect\n0.332917 0.666638 0.088541 Mo\n0.666581 0.333300 0.284346 Mo\n0.333461 0.666735 0.473604 W\n0.667037 0.333321 0.656425 W\n0.333306 0.666679 0.334313 Se\n0.666195 0.333265 0.038618 Se\n0.666309 0.333334 0.138534 Se\n0.333186 0.666599 0.234362 Se\n0.333750 0.666679 0.702085 S\n0.666742 0.333358 0.427895 S\n0.666846 0.333435 0.519293 S\n0.333658 0.666645 0.610731 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.342992405506864,
"density_atomic": 0.03847070006579052,
"volume": 311.92569876498857,
"volume_molar": 15.653837205200995,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.656400438888889,
"spacegroup": 156
},
{
"id": "jvasp-15672",
"created_at": "2022-09-04T14:36:55.464605Z",
"updated_at": "2022-09-04T14:36:55.464632Z",
"structure_string": "Nd1 Ni2 B2 C1\n1.0\n3.516167 -0.000000 -1.205108\n-0.413031 3.491824 -1.205108\n-0.035042 -0.039432 5.629905\nNd Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250001 0.749999 0.499999 Ni\n0.750001 0.250000 0.499999 Ni\n0.350594 0.350593 0.701185 B\n0.649408 0.649406 0.298813 B\n0.500001 0.499999 -0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Nd",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Nd-Ni",
"density": 7.127507495771125,
"density_atomic": 0.08722340045482813,
"volume": 68.78887968954298,
"volume_molar": 6.904271936885548,
"formula_full": "Nd1 Ni2 B2 C1",
"formula_reduced": "NdNi2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.3733169111111105,
"spacegroup": 139
},
{
"id": "jvasp-105018",
"created_at": "2022-09-04T14:36:47.314451Z",
"updated_at": "2022-09-04T14:36:47.314476Z",
"structure_string": "K2 Hg1 Bi1 Cl6\n1.0\n6.740251 -0.000000 3.891485\n2.246750 6.354769 3.891485\n-0.000000 -0.000000 7.782971\nK Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 Bi\n0.754222 0.245778 0.245778 Cl\n0.245778 0.245778 0.754223 Cl\n0.245778 0.754222 0.754223 Cl\n0.245778 0.754222 0.245778 Cl\n0.754222 0.245778 0.754223 Cl\n0.754222 0.754222 0.245779 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-K",
"density": 3.489206615966978,
"density_atomic": 0.029997064018983804,
"volume": 333.36595853752374,
"volume_molar": 20.075767269052918,
"formula_full": "K2 Hg1 Bi1 Cl6",
"formula_reduced": "K2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107053",
"created_at": "2022-09-04T14:36:47.346384Z",
"updated_at": "2022-09-04T14:36:47.346401Z",
"structure_string": "La1 Ti2 Tl1 O6\n1.0\n4.845458 -0.000000 2.797526\n1.615153 4.568342 2.797526\n-0.000000 -0.000000 5.595053\nLa Ti Tl O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750001 Ti\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000001 O\n-0.000000 0.500000 0.000001 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ti",
"Tl",
"O"
],
"chemical_system": "La-O-Ti-Tl",
"density": 7.17332971788922,
"density_atomic": 0.08074252983112466,
"volume": 123.85046667370084,
"volume_molar": 7.458449435007155,
"formula_full": "La1 Ti2 Tl1 O6",
"formula_reduced": "LaTi2TlO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.499259526666667,
"spacegroup": 225
},
{
"id": "jvasp-101073",
"created_at": "2022-09-04T14:37:04.416016Z",
"updated_at": "2022-09-04T14:37:04.416042Z",
"structure_string": "Zr1 Ti1 Pb2 O6\n1.0\n4.174010 0.008779 0.018667\n0.101384 4.169512 0.031335\n-0.027695 -0.051703 8.008409\nZr Ti Pb O\n1 1 2 6\ndirect\n0.531625 0.542600 0.269991 Zr\n0.506877 0.517684 0.770064 Ti\n0.979660 0.991197 0.008177 Pb\n0.979677 0.990933 0.527611 Pb\n0.048169 0.585257 0.272068 O\n0.068052 0.577515 0.771205 O\n0.575431 0.585420 0.008223 O\n0.575123 0.585254 0.533167 O\n0.575370 0.058622 0.271977 O\n0.567416 0.078123 0.771215 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 7.738015943504271,
"density_atomic": 0.07174799885418977,
"volume": 139.37670959050092,
"volume_molar": 8.393461638196385,
"formula_full": "Zr1 Ti1 Pb2 O6",
"formula_reduced": "ZrTi(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.505819547333333,
"spacegroup": 38
},
{
"id": "jvasp-101209",
"created_at": "2022-09-04T14:36:48.313493Z",
"updated_at": "2022-09-04T14:36:48.313520Z",
"structure_string": "Cr1 Cu1 P2 Se6\n1.0\n6.203995 -0.003477 0.882800\n-3.289466 5.260130 0.882800\n0.035816 0.064598 6.935609\nCr Cu P Se\n1 1 2 6\ndirect\n0.331542 0.668457 0.000000 Cr\n0.675528 0.324471 0.000000 Cu\n0.052676 0.054251 0.832467 P\n0.945747 0.947324 0.167533 P\n0.096613 0.437753 0.752552 Se\n0.418131 0.063805 0.750679 Se\n0.936194 0.581868 0.249322 Se\n0.562246 0.903387 0.247449 Se\n0.721051 0.739733 0.754283 Se\n0.260267 0.278949 0.245717 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cr",
"Cu",
"P",
"Se"
],
"chemical_system": "Cr-Cu-P-Se",
"density": 4.794651693011439,
"density_atomic": 0.04433640548323058,
"volume": 225.54828004228517,
"volume_molar": 13.582834905905402,
"formula_full": "Cr1 Cu1 P2 Se6",
"formula_reduced": "CrCu(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.214899905,
"spacegroup": 5
},
{
"id": "jvasp-48152",
"created_at": "2022-09-04T14:37:05.168331Z",
"updated_at": "2022-09-04T14:37:05.168358Z",
"structure_string": "Li4 Co2 Si4 O12\n1.0\n-5.113383 -0.022051 -0.003198\n-0.028089 -5.113398 -0.001269\n2.564758 2.565244 9.559623\nLi Co Si O\n4 2 4 12\ndirect\n0.361868 0.930747 0.831648 Li\n0.780037 0.848896 0.667927 Li\n0.150254 0.219105 0.331657 Li\n0.068388 0.637253 0.167934 Li\n0.210909 0.788239 0.499787 Co\n0.960882 0.038245 -0.000212 Co\n0.022210 0.446877 0.836898 Si\n0.435111 0.359772 0.662693 Si\n0.639386 0.564018 0.336890 Si\n0.552269 0.976919 0.162682 Si\n0.730320 0.250565 0.277289 O\n0.702812 0.723061 0.222279 O\n0.317765 0.561675 0.332353 O\n0.838553 0.696568 0.490105 O\n0.302520 0.160603 0.509484 O\n0.042835 0.400920 0.990110 O\n0.276102 0.296361 0.777323 O\n0.748577 0.268822 0.722272 O\n0.020004 0.763956 0.832353 O\n0.235189 0.979120 0.167226 O\n0.437456 0.681392 0.667227 O\n0.598208 0.956254 0.009464 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.9900668614246193,
"density_atomic": 0.0880390942254288,
"volume": 249.88898617775217,
"volume_molar": 6.840302950618718,
"formula_full": "Li4 Co2 Si4 O12",
"formula_reduced": "Li2Co(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.576446281818181,
"spacegroup": 43
},
{
"id": "jvasp-101951",
"created_at": "2022-09-04T14:36:47.404455Z",
"updated_at": "2022-09-04T14:36:47.404464Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.972259 -0.010912 -0.170243\n-1.005609 4.181129 -0.926771\n0.104663 0.111279 8.317823\nCd H C O\n1 6 5 4\ndirect\n0.226051 0.209788 0.759594 Cd\n0.736554 0.366062 0.452042 H\n0.351526 0.360845 0.342574 H\n0.933305 0.464271 0.206350 H\n0.375050 0.573712 0.098970 H\n0.029797 0.853865 0.331759 H\n0.545858 0.984895 0.186844 H\n0.523396 0.746168 0.546607 C\n0.599166 0.518217 0.399085 C\n0.817446 0.654495 0.270311 C\n0.613520 0.757865 0.138545 C\n0.815900 0.782600 0.988013 C\n0.269183 0.651519 0.629661 O\n0.704616 0.032924 0.588854 O\n0.039104 0.041149 0.988964 O\n0.762239 0.537974 0.868653 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.9063042671808916,
"density_atomic": 0.1154736194556168,
"volume": 138.55978599640005,
"volume_molar": 5.215165843411238,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122226484374999,
"spacegroup": 1
},
{
"id": "jvasp-7853",
"created_at": "2022-09-04T14:37:04.409607Z",
"updated_at": "2022-09-04T14:37:04.409629Z",
"structure_string": "Ba1 Tm2 Ni1 O5\n1.0\n3.561941 -0.000000 -1.058992\n-0.738330 5.092340 -2.483388\n0.023133 0.015596 6.597632\nBa Tm Ni O\n1 2 1 5\ndirect\n0.499999 0.500000 -0.000000 Ba\n0.297955 0.797956 0.595910 Tm\n0.702043 0.202045 0.404091 Tm\n0.000000 0.000000 0.000000 Ni\n0.500001 -0.000000 0.000001 O\n0.151854 0.912385 0.303706 O\n0.848147 0.087616 0.696295 O\n0.848146 0.608680 0.696294 O\n0.151852 0.391321 0.303704 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tm",
"density": 8.498612160322073,
"density_atomic": 0.07503326081161883,
"volume": 119.94680629162205,
"volume_molar": 8.025961680006684,
"formula_full": "Ba1 Tm2 Ni1 O5",
"formula_reduced": "BaTm2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.7132004855555554,
"spacegroup": 71
},
{
"id": "jvasp-103753",
"created_at": "2022-09-04T14:36:55.433610Z",
"updated_at": "2022-09-04T14:36:55.433619Z",
"structure_string": "Li1 Co2 Cu1 O6\n1.0\n6.138135 -0.017645 1.270537\n5.506399 2.712303 1.270537\n-0.245451 -0.056800 5.853658\nLi Co Cu O\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.682248 0.682244 0.181968 Co\n0.317755 0.317753 0.818033 Co\n0.000000 -0.000000 0.500000 Cu\n0.192752 0.192751 0.372782 O\n0.474458 0.474454 0.727486 O\n0.832278 0.832273 0.034403 O\n0.525546 0.525543 0.272515 O\n0.807252 0.807247 0.627219 O\n0.167726 0.167725 0.965598 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 4.773281216892864,
"density_atomic": 0.10109158647568091,
"volume": 98.92020046995354,
"volume_molar": 5.957113712374785,
"formula_full": "Li1 Co2 Cu1 O6",
"formula_reduced": "LiCo2CuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4395373250000003,
"spacegroup": 12
}
]
}