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=4454",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4452",
"results": [
{
"id": "jvasp-28392",
"created_at": "2022-09-04T14:36:55.989638Z",
"updated_at": "2022-09-04T14:36:55.989668Z",
"structure_string": "Si2 O4\n1.0\n3.809107 -0.000077 -0.000032\n0.000046 3.808720 -0.000089\n0.000020 0.000190 3.808749\nSi O\n2 4\ndirect\n0.809347 0.111254 0.918329 Si\n0.309358 0.611254 0.418326 Si\n0.559358 0.861255 0.668319 O\n0.059351 0.861267 0.168346 O\n0.559351 0.361248 0.168333 O\n0.059353 0.361260 0.668328 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 3.611233132226314,
"density_atomic": 0.10858421041915098,
"volume": 55.25665266468412,
"volume_molar": 5.546055671219282,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4859418666666668,
"spacegroup": 224
},
{
"id": "jvasp-20933",
"created_at": "2022-09-04T14:38:20.185007Z",
"updated_at": "2022-09-04T14:38:20.185034Z",
"structure_string": "Li24 Ga8 N16\n1.0\n7.836417 -0.000000 -2.770591\n-3.918208 6.786535 -2.770591\n0.000000 -0.000000 8.311774\nLi Ga N\n24 8 16\ndirect\n0.994617 0.470099 0.233455 Li\n0.970099 0.975482 0.236645 Li\n0.733455 0.263356 0.238837 Li\n0.529902 0.766546 0.005384 Li\n0.494617 0.261163 0.524519 Li\n0.238837 0.733455 0.263356 Li\n0.766546 0.005383 0.529902 Li\n0.524519 0.494617 0.261163 Li\n0.261163 0.524519 0.494617 Li\n0.236645 0.970099 0.975481 Li\n0.263356 0.238837 0.733454 Li\n0.005383 0.529902 0.766545 Li\n0.975482 0.236645 0.970098 Li\n0.029902 0.024519 0.763355 Li\n0.736645 0.761164 0.266546 Li\n0.738837 0.475482 0.505383 Li\n0.475482 0.505384 0.738837 Li\n0.233455 0.994617 0.470098 Li\n0.763356 0.029902 0.024519 Li\n0.024519 0.763356 0.029902 Li\n0.470098 0.233455 0.994617 Li\n0.266546 0.736645 0.761163 Li\n0.761164 0.266546 0.736645 Li\n0.505383 0.738837 0.475482 Li\n0.237830 0.237830 0.237830 Ga\n0.000000 0.737830 0.500000 Ga\n0.762171 0.762171 0.762170 Ga\n0.262170 0.500000 0.000000 Ga\n0.500000 0.000000 0.262170 Ga\n0.000000 0.262171 0.500000 Ga\n0.737830 0.500000 0.000000 Ga\n0.500000 0.000000 0.737829 Ga\n0.480326 0.230326 0.250000 N\n0.980326 0.730326 0.250000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.250000 0.480326 0.230326 N\n0.019675 0.269675 0.750000 N\n0.000000 0.000000 0.000000 N\n0.750000 0.519675 0.769675 N\n0.230325 0.250000 0.480325 N\n0.730326 0.250000 0.980325 N\n0.519675 0.769675 0.750000 N\n0.769675 0.750001 0.519675 N\n0.250000 0.980326 0.730325 N\n0.750000 0.019675 0.269675 N\n0.269675 0.750001 0.019675 N\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Ga",
"N"
],
"chemical_system": "Ga-Li-N",
"density": 3.5629991590440424,
"density_atomic": 0.10858801143193988,
"volume": 442.0377476945062,
"volume_molar": 5.545861537186837,
"formula_full": "Li24 Ga8 N16",
"formula_reduced": "Li3GaN2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0971681375,
"spacegroup": 206
},
{
"id": "jvasp-33058",
"created_at": "2022-09-04T14:37:07.275127Z",
"updated_at": "2022-09-04T14:37:07.275137Z",
"structure_string": "H4 O4 F4\n1.0\n4.002821 0.000000 0.000000\n0.000000 4.803623 0.000000\n0.000000 0.000000 5.746572\nH O F\n4 4 4\ndirect\n0.473930 0.412363 0.219004 H\n0.026070 0.587636 0.719004 H\n0.973930 0.087637 0.780995 H\n0.526070 -0.087637 0.280995 H\n0.642393 0.731585 0.321420 O\n0.857607 0.268414 0.821420 O\n0.142393 0.768414 0.678580 O\n0.357607 0.231586 0.178580 O\n0.917588 0.753617 0.154828 F\n0.582411 0.246382 0.654827 F\n0.417588 0.746382 0.845172 F\n0.082412 0.253617 0.345172 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"O",
"F"
],
"chemical_system": "F-H-O",
"density": 2.1643970378826474,
"density_atomic": 0.10860187127447546,
"volume": 110.49533363630303,
"volume_molar": 5.545153770674828,
"formula_full": "H4 O4 F4",
"formula_reduced": "HOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2891412608333337,
"spacegroup": 19
},
{
"id": "jvasp-47608",
"created_at": "2022-09-04T14:38:16.464675Z",
"updated_at": "2022-09-04T14:38:16.464693Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n-2.830710 1.634311 4.622529\n-0.000000 3.268622 -4.622529\n-2.848159 -1.644386 -4.629654\nLi Co Ni O\n2 3 1 8\ndirect\n0.873420 0.126579 0.620260 Li\n0.126580 0.873419 0.379740 Li\n0.500000 0.500000 0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.500000 0.499999 0.500000 Ni\n0.736989 0.709473 0.764505 O\n0.736989 0.263009 0.764505 O\n0.264134 0.735865 0.792401 O\n0.290525 0.263009 0.764505 O\n0.709474 0.736989 0.235496 O\n0.735866 0.264133 0.207600 O\n0.263010 0.736989 0.235496 O\n0.263010 0.290525 0.235496 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.86130027941216,
"density_atomic": 0.10860849644788458,
"volume": 128.90335892567902,
"volume_molar": 5.544815513480295,
"formula_full": "Li2 Co3 Ni1 O8",
"formula_reduced": "Li2Co3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6824387928571425,
"spacegroup": 166
},
{
"id": "jvasp-101814",
"created_at": "2022-09-04T14:36:50.011682Z",
"updated_at": "2022-09-04T14:36:50.011712Z",
"structure_string": "H10 C6 S2 N2\n1.0\n4.568589 -0.114974 1.871211\n-0.193768 5.230532 1.892383\n0.130075 0.073843 7.795664\nH C S N\n10 6 2 2\ndirect\n0.318450 0.904251 0.862800 H\n0.035247 0.376208 0.840312 H\n0.463262 0.605019 0.112799 H\n0.480940 0.744828 0.458265 H\n0.620800 0.948442 0.208379 H\n0.035249 0.876211 0.340313 H\n0.463260 0.105016 0.612798 H\n0.480936 0.244824 0.958265 H\n0.620797 0.448438 0.708378 H\n0.318452 0.404256 0.362801 H\n0.576107 0.244183 0.804294 C\n0.361941 0.107223 0.765591 C\n0.576111 0.744186 0.304294 C\n0.361943 0.607228 0.265591 C\n0.866814 0.616260 0.268645 C\n0.866812 0.116255 0.768645 C\n0.923364 0.353675 0.203042 S\n0.923361 0.853670 0.703042 S\n0.077876 0.221813 0.792944 N\n0.077879 0.721817 0.292944 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5716345146284938,
"density_atomic": 0.10860941175919989,
"volume": 184.14610369442386,
"volume_molar": 5.544768784266883,
"formula_full": "H10 C6 S2 N2",
"formula_reduced": "H5C3SN",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 4.546575324999999,
"spacegroup": 1
},
{
"id": "jvasp-98161",
"created_at": "2022-09-04T14:35:41.742684Z",
"updated_at": "2022-09-04T14:35:41.742711Z",
"structure_string": "V4 H16 N4 O12\n1.0\n4.809879 0.000000 -0.000000\n0.000000 11.827434 0.000000\n0.000000 0.000000 5.826388\nV H N O\n4 16 4 12\ndirect\n0.456667 0.326632 0.750000 V\n0.543333 0.673367 0.250000 V\n0.456667 0.173367 0.250000 V\n0.543333 0.826632 0.750000 V\n0.945205 0.362640 0.393049 H\n0.054796 0.637359 0.893049 H\n0.054796 0.862640 0.106952 H\n0.054796 0.637359 0.606952 H\n0.945205 0.362640 0.106952 H\n0.054796 0.862640 0.393049 H\n0.945205 0.137360 0.893049 H\n0.945205 0.137360 0.606952 H\n0.112362 0.468153 0.250000 H\n0.887638 0.968153 0.250000 H\n0.112362 0.031847 0.750000 H\n0.247725 0.540492 0.750000 H\n0.752275 0.459508 0.250000 H\n0.887638 0.531847 0.750000 H\n0.247725 0.959507 0.250000 H\n0.752275 0.040492 0.750000 H\n0.939628 0.413963 0.250000 N\n0.060372 0.586037 0.750000 N\n0.939628 0.086037 0.750000 N\n0.060372 0.913963 0.250000 N\n0.424256 0.750000 0.500000 O\n0.112075 0.329446 0.750000 O\n0.887925 0.670554 0.250000 O\n0.112075 0.170554 0.250000 O\n0.887925 0.829446 0.750000 O\n0.566848 0.461494 0.750000 O\n0.433152 0.538506 0.250000 O\n0.566848 0.038506 0.250000 O\n0.433152 0.961493 0.750000 O\n0.575744 0.250000 0.500000 O\n0.424256 0.750000 0.000000 O\n0.575744 0.250000 0.000000 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"V",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-V",
"density": 2.344173692575915,
"density_atomic": 0.10861215078706725,
"volume": 331.45462767400255,
"volume_molar": 5.544628953906209,
"formula_full": "V4 H16 N4 O12",
"formula_reduced": "VH4NO3",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 3.4070842166666666,
"spacegroup": 57
},
{
"id": "jvasp-63287",
"created_at": "2022-09-04T14:35:59.436273Z",
"updated_at": "2022-09-04T14:35:59.436299Z",
"structure_string": "Ca2 B4 H16\n1.0\n4.263305 3.746715 0.050987\n-4.263305 3.746715 0.050987\n0.000000 3.873667 6.392578\nCa B H\n2 4 16\ndirect\n0.614672 0.385329 0.250000 Ca\n0.385329 0.614672 0.750001 Ca\n0.859371 0.564483 0.794937 B\n0.435519 0.140630 0.705064 B\n0.140630 0.435519 0.205064 B\n0.564483 0.859371 0.294937 B\n0.556602 -0.006148 0.769224 H\n0.006149 0.443399 0.730777 H\n0.352732 0.602115 0.082084 H\n0.397887 0.647269 0.417917 H\n0.647269 0.397887 0.917917 H\n0.602115 0.352732 0.582084 H\n0.678442 0.935953 0.386738 H\n0.935953 0.678442 0.886739 H\n0.321559 0.064048 0.613263 H\n-0.006149 0.556602 0.269224 H\n0.731345 0.844181 0.145747 H\n0.155820 0.268656 0.354253 H\n0.268656 0.155820 0.854254 H\n0.844181 0.731346 0.645748 H\n0.064048 0.321559 0.113262 H\n0.443399 0.006149 0.230777 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"B",
"H"
],
"chemical_system": "B-Ca-H",
"density": 1.1439328220105187,
"density_atomic": 0.10862148188857498,
"volume": 202.53820531161435,
"volume_molar": 5.544152643928733,
"formula_full": "Ca2 B4 H16",
"formula_reduced": "Ca(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.1648859624242425,
"spacegroup": 15
},
{
"id": "jvasp-48296",
"created_at": "2022-09-04T14:36:33.273065Z",
"updated_at": "2022-09-04T14:36:33.273094Z",
"structure_string": "Li3 V2 Fe3 O10\n1.0\n4.990983 -0.204105 0.041884\n0.880668 4.811852 0.258449\n2.190731 1.957123 6.973115\nLi V Fe O\n3 2 3 10\ndirect\n0.505414 0.784899 0.408064 Li\n0.000000 0.500000 0.500000 Li\n0.494586 0.215102 0.591935 Li\n-0.017140 0.839700 0.706833 V\n0.017140 0.160300 0.293166 V\n0.500000 0.000001 -0.000000 Fe\n0.990588 0.310689 0.893292 Fe\n0.009412 0.689311 0.106707 Fe\n0.233254 0.363442 0.043995 O\n0.773328 0.210927 0.753888 O\n0.769748 0.449936 0.342981 O\n0.230253 0.550064 0.657018 O\n0.206554 0.965572 0.859669 O\n0.766746 0.636558 0.956004 O\n0.774102 0.868974 0.543400 O\n0.225898 0.131027 0.456599 O\n0.226672 0.789074 0.246111 O\n0.793446 0.034429 0.140330 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.511709490599056,
"density_atomic": 0.10862387271982123,
"volume": 165.70942969809468,
"volume_molar": 5.544030616118059,
"formula_full": "Li3 V2 Fe3 O10",
"formula_reduced": "Li3V2Fe3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.0457383277777774,
"spacegroup": 2
},
{
"id": "jvasp-36311",
"created_at": "2022-09-04T14:37:14.367535Z",
"updated_at": "2022-09-04T14:37:14.367561Z",
"structure_string": "Mg1 O1\n1.0\n2.640580 -0.000000 0.000000\n-0.000000 2.640580 -0.000000\n0.000000 0.000000 2.640580\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 3.6349929180177583,
"density_atomic": 0.10862555463657045,
"volume": 18.411873768483108,
"volume_molar": 5.543944774457847,
"formula_full": "Mg1 O1",
"formula_reduced": "MgO",
"formula_anonymous": "AB",
"energy_above_hull": 0.4029799999999999,
"spacegroup": 221
},
{
"id": "jvasp-98907",
"created_at": "2022-09-04T14:36:03.358747Z",
"updated_at": "2022-09-04T14:36:03.358771Z",
"structure_string": "B10 H24 N2 O24\n1.0\n11.296214 0.000000 0.000000\n0.000000 5.464170 4.474275\n0.000000 -5.464170 4.474275\nB H N O\n10 24 2 24\ndirect\n0.500000 0.104126 0.104126 B\n0.000000 0.604125 0.604125 B\n0.316318 0.301584 0.100810 B\n0.683681 0.100810 0.301584 B\n0.183681 0.801584 0.600810 B\n0.816318 0.600810 0.801584 B\n0.297205 0.958312 0.057185 B\n0.702795 0.057185 0.958312 B\n0.202795 0.458312 0.557185 B\n0.797205 0.557185 0.458312 B\n0.985380 0.499284 0.207268 H\n0.014619 0.207268 0.499284 H\n0.027479 0.165439 0.024611 H\n0.972521 0.024611 0.165439 H\n0.430487 0.429909 0.491280 H\n0.930487 -0.008720 0.929909 H\n0.069513 0.929909 -0.008720 H\n0.569513 0.491280 0.429909 H\n0.485380 0.707267 0.999284 H\n0.472521 0.665439 0.524610 H\n0.514619 0.999284 0.707267 H\n0.527479 0.524610 0.665439 H\n-0.001312 0.511359 0.983258 H\n0.498688 0.483258 0.011360 H\n0.501312 0.011360 0.483258 H\n0.752329 0.538016 0.180783 H\n0.247670 0.180783 0.538016 H\n0.747670 0.038016 0.680783 H\n0.252330 0.680783 0.038016 H\n0.001312 0.983258 0.511359 H\n0.671675 0.607462 0.961654 H\n0.328324 0.961654 0.607462 H\n0.828324 0.107463 0.461654 H\n0.171675 0.461654 0.107463 H\n0.500000 0.525403 0.525403 N\n0.000000 0.025404 0.025404 N\n0.471402 0.945525 0.585776 O\n0.719930 0.519566 0.306851 O\n0.280070 0.306851 0.519566 O\n0.780070 0.019566 0.806851 O\n0.528598 0.585776 0.945525 O\n0.219930 0.806851 0.019566 O\n0.760871 0.613970 0.976325 O\n0.239128 0.976325 0.613970 O\n0.739128 0.113971 0.476326 O\n0.260872 0.476326 0.113971 O\n0.745784 0.574431 0.638711 O\n0.416936 0.937988 0.074812 O\n0.754216 0.074432 0.138712 O\n0.245784 0.138712 0.074432 O\n0.916936 0.574812 0.437988 O\n0.083063 0.437988 0.574812 O\n0.583063 0.074812 0.937988 O\n0.936916 0.610538 0.789847 O\n0.063084 0.789847 0.610538 O\n0.563084 0.110538 0.289847 O\n0.436916 0.289847 0.110538 O\n0.028598 0.445525 0.085776 O\n0.254216 0.638711 0.574431 O\n0.971401 0.085776 0.445525 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"B",
"H",
"N",
"O"
],
"chemical_system": "B-H-N-O",
"density": 1.6363541335215177,
"density_atomic": 0.10862792094132727,
"volume": 552.344180760005,
"volume_molar": 5.543824007506056,
"formula_full": "B10 H24 N2 O24",
"formula_reduced": "B5H12NO12",
"formula_anonymous": "AB5C12D12",
"energy_above_hull": 3.692423938888889,
"spacegroup": 41
},
{
"id": "jvasp-12829",
"created_at": "2022-09-04T14:37:13.320322Z",
"updated_at": "2022-09-04T14:37:13.320352Z",
"structure_string": "Li4 B4 O8\n1.0\n4.391564 0.000000 0.000000\n0.000000 5.295713 -2.498946\n0.000000 -0.046310 6.355192\nLi B O\n4 4 8\ndirect\n0.791354 0.568098 0.657740 Li\n0.291355 0.431902 0.842259 Li\n0.208645 0.431902 0.342259 Li\n0.708644 0.568098 0.157740 Li\n0.324724 0.875360 0.728297 B\n0.824724 0.124640 0.771701 B\n0.675275 0.124640 0.271701 B\n0.175275 0.875360 0.228298 B\n0.643648 0.915497 0.741807 O\n0.143649 0.084502 0.758192 O\n0.356351 0.084502 0.258192 O\n0.856350 0.915497 0.241807 O\n0.223542 0.644856 0.685211 O\n0.723542 0.355143 0.814788 O\n0.776457 0.355143 0.314788 O\n0.276457 0.644856 0.185211 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"B",
"O"
],
"chemical_system": "B-Li-O",
"density": 2.243534500982396,
"density_atomic": 0.10862844874455421,
"volume": 147.29106587561498,
"volume_molar": 5.543797071208663,
"formula_full": "Li4 B4 O8",
"formula_reduced": "LiBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.853847395833333,
"spacegroup": 14
},
{
"id": "jvasp-29779",
"created_at": "2022-09-04T14:38:07.896867Z",
"updated_at": "2022-09-04T14:38:07.896893Z",
"structure_string": "C8\n1.0\n4.260038 -0.419926 0.000000\n-1.040691 4.152253 -0.000000\n0.000000 0.000000 4.268747\nC\n8\ndirect\n0.250000 0.250000 0.166664 C\n0.500006 0.499994 0.666665 C\n0.750000 0.749999 0.166664 C\n0.250000 0.250000 0.833337 C\n0.750000 0.749999 0.833337 C\n-0.000005 0.000005 0.666665 C\n0.499995 0.500005 0.333336 C\n0.000005 -0.000005 0.333336 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.166576481153188,
"density_atomic": 0.10863170790477572,
"volume": 73.64332343014097,
"volume_molar": 5.543630746631437,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.0136800000000008,
"spacegroup": 191
}
]
}