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=430",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=428",
"results": [
{
"id": "jvasp-51403",
"created_at": "2022-09-04T14:37:10.933867Z",
"updated_at": "2022-09-04T14:37:10.933887Z",
"structure_string": "Na4 H4 C4 N8\n1.0\n3.450025 0.000000 0.000000\n0.000000 6.408541 0.000000\n0.000000 0.000000 10.478696\nNa H C N\n4 4 4 8\ndirect\n0.766923 0.500000 0.250000 Na\n0.233076 0.000000 0.750000 Na\n0.233076 0.500000 0.750000 Na\n0.766923 0.000000 0.250000 Na\n0.820180 0.250000 0.911148 H\n0.179819 0.750000 0.088852 H\n0.820180 0.750000 0.588852 H\n0.179819 0.250000 0.411148 H\n0.805659 0.250000 0.548270 C\n0.194339 0.750000 0.451730 C\n0.805659 0.750000 0.951730 C\n0.194339 0.250000 0.048270 C\n0.295963 0.250000 0.157715 N\n0.704035 0.750000 0.842286 N\n0.295963 0.750000 0.342285 N\n0.704035 0.250000 0.657715 N\n0.113170 0.250000 0.929550 N\n0.886829 0.750000 0.070450 N\n0.113170 0.750000 0.570451 N\n0.886829 0.250000 0.429550 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"H",
"C",
"N"
],
"chemical_system": "C-H-N-Na",
"density": 1.8354746116486547,
"density_atomic": 0.08632594580568516,
"volume": 231.68005648057274,
"volume_molar": 6.976049557053796,
"formula_full": "Na4 H4 C4 N8",
"formula_reduced": "NaHCN2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.8099771,
"spacegroup": 57
},
{
"id": "jvasp-101802",
"created_at": "2022-09-04T14:37:10.881341Z",
"updated_at": "2022-09-04T14:37:10.881369Z",
"structure_string": "H4 C6 S2 O1\n1.0\n5.092004 0.057934 -0.616638\n-1.725137 4.957420 -0.841015\n0.213597 0.257122 5.964034\nH C S O\n4 6 2 1\ndirect\n0.778068 0.019315 0.916718 H\n0.283841 0.021694 0.139029 H\n0.245705 0.363325 0.481533 H\n0.658703 0.217584 0.748156 H\n0.148860 0.968265 0.267597 C\n0.127887 0.153053 0.455216 C\n0.945490 0.043065 0.598568 C\n0.974509 0.717312 0.269941 C\n0.038940 0.413773 0.950162 C\n0.847155 0.166334 0.801819 C\n0.791337 0.705652 0.500337 S\n0.357009 0.569578 0.928573 S\n0.894539 0.484987 0.115353 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6937227566212583,
"density_atomic": 0.08487602722123522,
"volume": 153.16456749459542,
"volume_molar": 7.095219883822878,
"formula_full": "H4 C6 S2 O1",
"formula_reduced": "H4C6S2O",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 4.981751038461538,
"spacegroup": 1
},
{
"id": "jvasp-102083",
"created_at": "2022-09-04T14:37:10.522493Z",
"updated_at": "2022-09-04T14:37:10.522518Z",
"structure_string": "Na2 Li1 In1 F6\n1.0\n4.949277 -0.000000 2.857466\n1.649759 4.666223 2.857466\n0.000000 -0.000000 5.714933\nNa Li In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.256599 0.256598 0.743401 F\n0.256599 0.743401 0.743402 F\n0.743402 0.743401 0.256599 F\n0.256599 0.743401 0.256599 F\n0.743402 0.256598 0.743402 F\n0.743402 0.256598 0.256599 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"In",
"F"
],
"chemical_system": "F-In-Li-Na",
"density": 3.5445588546249933,
"density_atomic": 0.07576726415257923,
"volume": 131.98312109913482,
"volume_molar": 7.948209332031159,
"formula_full": "Na2 Li1 In1 F6",
"formula_reduced": "Na2LiInF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-43509",
"created_at": "2022-09-04T14:37:09.875919Z",
"updated_at": "2022-09-04T14:37:09.875938Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n-3.847129 -0.000569 0.000840\n1.922661 7.548528 -0.005274\n-0.001983 -1.440141 -9.184029\nSr Ti N O\n2 6 2 11\ndirect\n0.553896 0.111131 0.754208 Sr\n0.455087 0.913520 0.221582 Sr\n0.120279 0.243891 0.085002 Ti\n0.164483 0.332331 0.439723 Ti\n0.241023 0.485383 0.755439 Ti\n0.766506 0.536331 0.234267 Ti\n0.833280 0.669888 0.565646 Ti\n0.886006 0.775352 0.892447 Ti\n0.293953 0.591237 0.580533 N\n0.932151 0.867636 0.716414 N\n0.833902 0.671136 0.096063 O\n0.357413 0.718154 0.893970 O\n0.237543 0.478413 0.241290 O\n0.753654 0.510639 0.767961 O\n0.065214 0.133777 0.299081 O\n0.636357 0.276048 0.116161 O\n0.151498 0.306334 0.903479 O\n0.122152 0.247669 0.616552 O\n0.872465 0.748208 0.382137 O\n0.696847 0.397040 0.427168 O\n0.996543 -0.003593 0.019527 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ti",
"density": 4.149121659844341,
"density_atomic": 0.07873350333382372,
"volume": 266.72254009784996,
"volume_molar": 7.648765144447603,
"formula_full": "Sr2 Ti6 N2 O11",
"formula_reduced": "Sr2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.398317981904761,
"spacegroup": 8
},
{
"id": "jvasp-45596",
"created_at": "2022-09-04T14:37:28.239301Z",
"updated_at": "2022-09-04T14:37:28.239327Z",
"structure_string": "Mg2 Mn2 Ge4 O12\n1.0\n5.160758 -0.235039 0.900311\n1.045920 6.601814 0.573197\n-0.327658 -0.088912 6.700088\nMg Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.272505 0.727495 Mg\n0.250000 0.727495 0.272505 Mg\n0.750000 0.906036 0.093964 Mn\n0.250000 0.093964 0.906037 Mn\n0.787453 0.396634 0.207826 Ge\n0.712548 0.792173 0.603366 Ge\n0.212548 0.603366 0.792174 Ge\n0.287452 0.207826 0.396634 Ge\n0.638363 0.976992 0.785503 O\n0.861637 0.214498 0.023007 O\n0.611087 0.624066 0.146132 O\n0.888913 0.853868 0.375934 O\n0.388913 0.375934 0.853869 O\n0.899422 0.567553 0.709637 O\n0.100578 0.432447 0.290364 O\n0.399422 0.709636 0.567554 O\n0.138363 0.785502 0.976993 O\n0.600578 0.290363 0.432447 O\n0.111087 0.146132 0.624066 O\n0.361637 0.023007 0.214498 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-Mn-O",
"density": 4.586405350729803,
"density_atomic": 0.0861725522270791,
"volume": 232.0924642837159,
"volume_molar": 6.988467446259049,
"formula_full": "Mg2 Mn2 Ge4 O12",
"formula_reduced": "MgMn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.132334919137931,
"spacegroup": 15
},
{
"id": "jvasp-23312",
"created_at": "2022-09-04T14:37:32.540764Z",
"updated_at": "2022-09-04T14:37:32.540784Z",
"structure_string": "Li2 Ni4 P6 O20\n1.0\n0.000000 4.657972 0.276479\n8.186762 0.000000 0.000000\n0.000000 -1.801689 -9.256753\nLi Ni P O\n2 4 6 20\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.950522 0.565207 0.671772 Ni\n0.049477 0.065207 0.328227 Ni\n0.049477 0.434793 0.328227 Ni\n0.950522 0.934792 0.671772 Ni\n0.514715 0.750000 0.865487 P\n0.677808 0.750000 0.179049 P\n0.485284 0.250000 0.134513 P\n0.415996 0.750000 0.450929 P\n0.584003 0.250000 0.549071 P\n0.322191 0.250000 0.820950 P\n0.320122 0.093938 0.143304 O\n0.570732 0.250000 0.972428 O\n0.429267 0.750000 0.027572 O\n0.519468 0.250000 0.708759 O\n0.480531 0.750000 0.291241 O\n0.803684 0.250000 0.239268 O\n0.196315 0.750000 0.760731 O\n0.679877 0.593938 0.856695 O\n0.320122 0.406062 0.143304 O\n0.754398 0.094548 0.536796 O\n0.142493 0.094572 0.813927 O\n0.857506 0.594572 0.186072 O\n0.245601 0.905452 0.463204 O\n0.754398 0.405452 0.536796 O\n0.857506 0.905428 0.186072 O\n0.245601 0.594548 0.463204 O\n0.722239 0.750000 0.565089 O\n0.277760 0.250000 0.434910 O\n0.679877 0.906062 0.856695 O\n0.142493 0.405428 0.813927 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.590700504438291,
"density_atomic": 0.09171255214343395,
"volume": 348.91625248802984,
"volume_molar": 6.566321206045675,
"formula_full": "Li2 Ni4 P6 O20",
"formula_reduced": "LiNi2P3O10",
"formula_anonymous": "AB2C3D10",
"energy_above_hull": 2.67646976875,
"spacegroup": 11
},
{
"id": "jvasp-45577",
"created_at": "2022-09-04T14:37:28.219562Z",
"updated_at": "2022-09-04T14:37:28.219571Z",
"structure_string": "Mg2 Ni2 Ge4 O12\n1.0\n5.113223 -0.217625 0.908672\n1.050079 6.467582 0.611204\n-0.286781 -0.044294 6.574317\nMg Ni Ge O\n2 2 4 12\ndirect\n0.750000 0.266652 0.733348 Mg\n0.250000 0.733348 0.266651 Mg\n0.750000 0.909318 0.090680 Ni\n0.250000 0.090681 0.909319 Ni\n0.795232 0.397161 0.205596 Ge\n0.704768 0.794403 0.602838 Ge\n0.204768 0.602839 0.794403 Ge\n0.295232 0.205597 0.397162 Ge\n0.628077 0.975343 0.794987 O\n0.871923 0.205012 0.024656 O\n0.617317 0.629376 0.136469 O\n0.882683 0.863530 0.370623 O\n0.382683 0.370624 0.863530 O\n0.894410 0.564291 0.708733 O\n0.105590 0.435709 0.291267 O\n0.394410 0.708733 0.564291 O\n0.128077 0.794987 0.975343 O\n0.605590 0.291267 0.435709 O\n0.117317 0.136470 0.629377 O\n0.371923 0.024656 0.205013 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ni",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-Ni-O",
"density": 4.878868906666498,
"density_atomic": 0.09060597775617,
"volume": 220.73598779345502,
"volume_molar": 6.64651594644914,
"formula_full": "Mg2 Ni2 Ge4 O12",
"formula_reduced": "MgNi(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7633754349999995,
"spacegroup": 15
},
{
"id": "jvasp-33072",
"created_at": "2022-09-04T14:37:08.279066Z",
"updated_at": "2022-09-04T14:37:08.279095Z",
"structure_string": "Sn1 H4 N2 F2\n1.0\n5.175388 1.649511 -1.474281\n-5.175388 1.649511 1.474281\n-0.027183 0.000000 5.035699\nSn H N F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.389044 0.610955 0.561991 H\n0.610956 0.389044 0.438009 H\n0.294823 0.705176 0.776497 H\n0.705176 0.294823 0.223503 H\n0.389850 0.610149 0.767083 N\n0.610149 0.389850 0.232917 N\n0.121249 0.878750 0.749567 F\n0.878751 0.121249 0.250434 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sn",
"H",
"N",
"F"
],
"chemical_system": "F-H-N-Sn",
"density": 3.651077290817685,
"density_atomic": 0.10483902031914252,
"volume": 85.84589948096541,
"volume_molar": 5.74417878159094,
"formula_full": "Sn1 H4 N2 F2",
"formula_reduced": "SnH4(NF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.613196529444444,
"spacegroup": 12
},
{
"id": "jvasp-10881",
"created_at": "2022-09-04T14:37:09.911258Z",
"updated_at": "2022-09-04T14:37:09.911287Z",
"structure_string": "Rb4 Ta2 Cu2 Se8\n1.0\n5.639745 0.000000 1.322719\n2.819872 6.930288 0.661360\n0.023398 -0.000000 12.584830\nRb Ta Cu Se\n4 2 2 8\ndirect\n0.804393 0.750000 0.391215 Rb\n0.445607 0.750000 0.108785 Rb\n0.195608 0.250000 0.608785 Rb\n0.554393 0.250000 0.891215 Rb\n0.625000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.125000 0.750000 0.750000 Cu\n0.875001 0.250000 0.250000 Cu\n0.822955 0.952394 0.636284 Se\n0.911632 0.547606 0.863716 Se\n0.224652 0.952394 0.863716 Se\n0.540763 0.547606 0.636284 Se\n0.459237 0.452394 0.363716 Se\n0.775349 0.047606 0.136284 Se\n0.088369 0.452394 0.136284 Se\n0.177046 0.047606 0.363716 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se-Ta",
"density": 4.939555325713779,
"density_atomic": 0.032542528615892304,
"volume": 491.6643137616025,
"volume_molar": 18.505448150882344,
"formula_full": "Rb4 Ta2 Cu2 Se8",
"formula_reduced": "Rb2TaCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.327577889583333,
"spacegroup": 70
},
{
"id": "jvasp-28480",
"created_at": "2022-09-04T14:37:28.235058Z",
"updated_at": "2022-09-04T14:37:28.235081Z",
"structure_string": "Te2 Mo2 W1 Se4\n1.0\n3.405283 -0.000540 -0.001245\n-1.702263 2.946101 -0.136943\n0.010262 -1.022129 20.470708\nTe Mo W Se\n2 2 1 4\ndirect\n0.525050 0.049875 -0.077057 Te\n0.586477 0.173091 0.106747 Te\n0.222430 0.444790 0.014789 Mo\n0.668901 0.337632 0.353042 Mo\n0.441988 0.884198 0.673088 W\n0.362551 0.725092 0.433784 Se\n0.748185 0.496450 0.591972 Se\n0.802452 0.605287 0.754254 Se\n0.308563 0.616781 0.272222 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 7.673771030410849,
"density_atomic": 0.0439301157516192,
"volume": 204.8708464800317,
"volume_molar": 13.708456390256682,
"formula_full": "Te2 Mo2 W1 Se4",
"formula_reduced": "Te2Mo2WSe4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.5388767555555543,
"spacegroup": 160
},
{
"id": "jvasp-103573",
"created_at": "2022-09-04T14:37:10.843671Z",
"updated_at": "2022-09-04T14:37:10.843690Z",
"structure_string": "K2 In1 Cu1 Cl6\n1.0\n6.157250 -0.000000 3.554890\n2.052417 5.805111 3.554890\n-0.000000 -0.000000 7.109780\nK In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745846 0.254154 0.254154 Cl\n0.254154 0.254154 0.745846 Cl\n0.254154 0.745846 0.745846 Cl\n0.254154 0.745846 0.254153 Cl\n0.745846 0.254154 0.745846 Cl\n0.745847 0.745846 0.254153 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-In-K",
"density": 3.0663827935699683,
"density_atomic": 0.039350161744647824,
"volume": 254.12856152643744,
"volume_molar": 15.303979686485267,
"formula_full": "K2 In1 Cu1 Cl6",
"formula_reduced": "K2InCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-47706",
"created_at": "2022-09-04T14:37:28.121647Z",
"updated_at": "2022-09-04T14:37:28.121667Z",
"structure_string": "Li1 Co1 Si1 O4\n1.0\n-0.000000 4.424258 -0.000000\n2.212128 -2.212129 4.276360\n4.424258 0.000000 -0.000000\nLi Co Si O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.750000 0.500000 0.750001 Co\n0.000000 0.000000 0.000000 Si\n0.351143 0.215817 0.084639 O\n0.699545 0.784183 0.351143 O\n0.864675 0.215817 0.699545 O\n0.084639 0.784183 0.864675 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.1335284132962986,
"density_atomic": 0.08362630184820345,
"volume": 83.70572230619787,
"volume_molar": 7.201252030648505,
"formula_full": "Li1 Co1 Si1 O4",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4443305,
"spacegroup": 82
}
]
}