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=432",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=430",
"results": [
{
"id": "jvasp-28620",
"created_at": "2022-09-04T14:38:08.243457Z",
"updated_at": "2022-09-04T14:38:08.243497Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.287062 0.000000 0.000000\n-1.643531 2.846620 0.000034\n0.000000 0.000438 38.727247\nTe Mo W S\n2 1 3 6\ndirect\n0.333307 0.666616 0.331728 Te\n0.333344 0.666691 0.231481 Te\n0.333417 0.666835 0.092764 Mo\n0.333163 0.666325 0.470815 W\n0.666658 0.333318 0.281574 W\n0.666774 0.333548 0.657713 W\n0.333445 0.666891 0.697465 S\n0.666720 0.333438 0.053278 S\n0.666521 0.333042 0.430922 S\n0.666683 0.333366 0.132417 S\n0.666485 0.332971 0.510724 S\n0.333483 0.666965 0.617866 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.017981195942408,
"density_atomic": 0.033115188278279195,
"volume": 362.37148643575733,
"volume_molar": 18.18543415605468,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.317864286111111,
"spacegroup": 156
},
{
"id": "jvasp-55464",
"created_at": "2022-09-04T14:38:32.014013Z",
"updated_at": "2022-09-04T14:38:32.014048Z",
"structure_string": "Na4 Mn4 As4 O16\n1.0\n5.215440 -0.000000 0.000000\n-0.000000 6.405857 0.000000\n0.000000 0.000000 10.846305\nNa Mn As O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.491497 0.250000 0.780847 Mn\n0.991497 0.750000 0.719153 Mn\n0.008503 0.250000 0.280847 Mn\n0.508503 0.750000 0.219153 Mn\n0.555988 0.250000 0.103867 As\n0.055988 0.750000 0.396133 As\n0.444012 0.750000 0.896133 As\n0.944012 0.250000 0.603866 As\n0.328975 0.750000 0.045888 O\n0.828975 0.250000 0.454111 O\n0.271647 0.250000 0.610557 O\n0.771647 0.750000 0.889442 O\n0.728353 0.750000 0.389442 O\n0.228353 0.250000 0.110557 O\n0.794756 0.458838 0.677409 O\n0.794756 0.041163 0.677409 O\n0.205244 0.958838 0.322591 O\n0.705244 0.041163 0.177409 O\n0.205244 0.541163 0.322591 O\n0.705244 0.458838 0.177409 O\n0.671025 0.250000 0.954111 O\n0.294756 0.958838 0.822591 O\n0.294756 0.541163 0.822591 O\n0.171025 0.750000 0.545888 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Mn",
"As",
"O"
],
"chemical_system": "As-Mn-Na-O",
"density": 3.9747748193274752,
"density_atomic": 0.07726948640418206,
"volume": 362.3681391324034,
"volume_molar": 7.7936855028378496,
"formula_full": "Na4 Mn4 As4 O16",
"formula_reduced": "NaMnAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.296213141625616,
"spacegroup": 62
},
{
"id": "jvasp-116801",
"created_at": "2022-09-04T14:38:45.726238Z",
"updated_at": "2022-09-04T14:38:45.726267Z",
"structure_string": "Pr4 B4 Mo2 O18\n1.0\n5.163476 -0.017445 1.264555\n1.636573 6.606216 1.868033\n-0.005225 -0.017722 10.608445\nPr B Mo O\n4 4 2 18\ndirect\n0.844844 0.794832 0.952547 Pr\n0.370184 0.079547 0.685312 Pr\n0.629817 0.920453 0.314688 Pr\n0.155157 0.205168 0.047453 Pr\n0.739245 0.249084 0.843099 B\n0.457549 0.589469 0.862286 B\n0.542452 0.410531 0.137714 B\n0.260756 0.750916 0.156900 B\n0.966560 0.291067 0.418692 Mo\n0.033441 0.708933 0.581307 Mo\n0.310000 0.185080 0.442448 O\n0.475549 0.782688 0.855718 O\n0.691732 0.458332 0.813330 O\n0.145751 0.443870 0.622778 O\n0.546495 0.144710 0.859760 O\n0.009024 0.863505 0.134800 O\n0.690001 0.814920 0.557552 O\n0.230460 0.791693 0.428904 O\n0.767071 0.475308 0.076940 O\n0.990977 0.136495 0.865199 O\n0.232930 0.524692 0.923059 O\n0.453506 0.855290 0.140240 O\n0.769541 0.208307 0.571095 O\n0.524452 0.217312 0.144282 O\n0.079487 0.828355 0.701112 O\n0.920514 0.171645 0.298887 O\n0.854250 0.556130 0.377221 O\n0.308269 0.541669 0.186669 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"B",
"Mo",
"O"
],
"chemical_system": "B-Mo-O-Pr",
"density": 4.980268670072951,
"density_atomic": 0.07727420308232098,
"volume": 362.3460208340333,
"volume_molar": 7.793209790315862,
"formula_full": "Pr4 B4 Mo2 O18",
"formula_reduced": "Pr2B2MoO9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 3.321103733333333,
"spacegroup": 2
},
{
"id": "jvasp-105258",
"created_at": "2022-09-04T14:36:56.643974Z",
"updated_at": "2022-09-04T14:36:56.643999Z",
"structure_string": "Sr6 Sm2\n1.0\n8.030660 -0.000000 0.000000\n-4.015330 6.954756 0.000000\n-0.000000 -0.000000 6.487628\nSr Sm\n6 2\ndirect\n0.171634 0.343268 0.250000 Sr\n0.656733 0.828367 0.250000 Sr\n0.171634 0.828367 0.250000 Sr\n0.828366 0.656733 0.750000 Sr\n0.343268 0.171634 0.750000 Sr\n0.828366 0.171634 0.750000 Sr\n0.333334 0.666667 0.750000 Sm\n0.666667 0.333334 0.250000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Sm"
],
"chemical_system": "Sm-Sr",
"density": 3.787401526588922,
"density_atomic": 0.022078568429059017,
"volume": 362.3423332769478,
"volume_molar": 27.275956678757648,
"formula_full": "Sr6 Sm2",
"formula_reduced": "Sr3Sm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-117113",
"created_at": "2022-09-04T14:38:46.245472Z",
"updated_at": "2022-09-04T14:38:46.245497Z",
"structure_string": "Sc4 Cd2 Se8\n1.0\n6.929947 -0.000000 4.001007\n2.309982 6.533616 4.001007\n-0.000000 -0.000000 8.002013\nSc Cd Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Sc\n0.625000 0.125000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.625000 0.625000 0.625000 Sc\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.844383 0.385206 0.385206 Se\n0.385206 0.844383 0.385206 Se\n0.385206 0.385206 0.844382 Se\n0.385206 0.385206 0.385206 Se\n0.405617 0.864794 0.864794 Se\n0.864794 0.405618 0.864794 Se\n0.864794 0.864794 0.405618 Se\n0.864794 0.864794 0.864794 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Se"
],
"chemical_system": "Cd-Sc-Se",
"density": 4.749660547508965,
"density_atomic": 0.03864072477812804,
"volume": 362.3120446209765,
"volume_molar": 15.584958083935152,
"formula_full": "Sc4 Cd2 Se8",
"formula_reduced": "Sc2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2381248166666663,
"spacegroup": 227
},
{
"id": "jvasp-85360",
"created_at": "2022-09-04T14:35:44.381786Z",
"updated_at": "2022-09-04T14:35:44.381816Z",
"structure_string": "K4 C4 S4 N4\n1.0\n7.467470 0.026846 0.029901\n0.042464 6.693554 -1.626007\n0.017251 -1.133073 7.523834\nK C S N\n4 4 4 4\ndirect\n0.919866 0.213460 0.740094 K\n0.582722 0.206997 0.237468 K\n0.080082 0.786223 0.259690 K\n0.417221 0.793314 0.762753 K\n0.526860 0.751546 0.233469 C\n0.473160 0.248730 0.766738 C\n0.971549 0.755507 0.734094 C\n0.028475 0.244222 0.265694 C\n0.664792 0.707199 0.380224 S\n0.166714 0.286203 0.117100 S\n0.833266 0.713515 0.882647 S\n0.335199 0.293061 0.620002 S\n0.930401 0.207982 0.372466 N\n0.429159 0.789615 0.127922 N\n0.570878 0.210664 0.872277 N\n0.069649 0.791767 0.627353 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"C",
"S",
"N"
],
"chemical_system": "C-K-N-S",
"density": 1.7816507739168876,
"density_atomic": 0.04416247979032161,
"volume": 362.29849582646096,
"volume_molar": 13.636328368770128,
"formula_full": "K4 C4 S4 N4",
"formula_reduced": "KCSN",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.9048753125000006,
"spacegroup": 14
},
{
"id": "jvasp-111900",
"created_at": "2022-09-04T14:38:27.965203Z",
"updated_at": "2022-09-04T14:38:27.965224Z",
"structure_string": "Na4 Mn4 As4 O16\n1.0\n5.215069 0.000000 0.000000\n-0.000000 6.405606 0.000000\n0.000000 0.000000 10.845082\nNa Mn As O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.491560 0.250000 0.219143 Mn\n0.991560 0.750001 0.280857 Mn\n0.508441 0.750001 0.780857 Mn\n0.008440 0.250000 0.719143 Mn\n0.555965 0.250000 0.896130 As\n0.055965 0.750001 0.603869 As\n0.444035 0.750001 0.103869 As\n0.944035 0.250000 0.396130 As\n0.328923 0.750001 0.954110 O\n0.828923 0.250000 0.545889 O\n0.271690 0.250000 0.389447 O\n0.771690 0.750001 0.110553 O\n0.728310 0.750001 0.610553 O\n0.228310 0.250000 0.889447 O\n0.794774 0.458845 0.322579 O\n0.794774 0.041155 0.322579 O\n0.205226 0.958845 0.677421 O\n0.705226 0.041155 0.822579 O\n0.205226 0.541156 0.677421 O\n0.705226 0.458845 0.822579 O\n0.171077 0.750001 0.454110 O\n0.294774 0.958845 0.177421 O\n0.294774 0.541156 0.177421 O\n0.671077 0.250000 0.045890 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Mn",
"As",
"O"
],
"chemical_system": "As-Mn-Na-O",
"density": 3.9756616300014778,
"density_atomic": 0.0772867259733231,
"volume": 362.28730933258447,
"volume_molar": 7.7919470441517324,
"formula_full": "Na4 Mn4 As4 O16",
"formula_reduced": "NaMnAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.296223141625616,
"spacegroup": 62
},
{
"id": "jvasp-60099",
"created_at": "2022-09-04T14:37:13.757900Z",
"updated_at": "2022-09-04T14:37:13.757930Z",
"structure_string": "Y6 Co6 O18\n1.0\n3.013944 -5.220304 0.000000\n3.013944 5.220304 -0.000000\n0.000000 0.000000 11.513008\nY Co O\n6 6 18\ndirect\n0.333332 0.666666 0.231611 Y\n0.666666 0.333332 0.731611 Y\n0.333332 0.666666 0.731611 Y\n0.666666 0.333332 0.231611 Y\n0.000000 0.000000 0.779999 Y\n0.000000 0.000000 0.279999 Y\n0.334231 0.334231 0.001393 Co\n-0.000000 0.334231 0.501393 Co\n0.334231 -0.000000 0.501393 Co\n-0.000000 0.665768 0.001393 Co\n0.665768 0.665768 0.501393 Co\n0.665768 -0.000000 0.001393 Co\n0.637940 -0.000000 0.840540 O\n0.696457 -0.000000 0.162675 O\n0.303542 -0.000000 0.662675 O\n-0.000000 0.303542 0.662675 O\n0.303541 0.303541 0.162675 O\n0.637940 0.637940 0.340540 O\n-0.000000 0.637940 0.840540 O\n0.362059 -0.000000 0.340540 O\n0.333332 0.666666 0.517987 O\n0.362058 0.362058 0.840540 O\n0.000000 0.000000 0.481983 O\n0.000000 0.000000 0.981983 O\n0.666666 0.333332 0.017987 O\n-0.000000 0.696457 0.162675 O\n0.666666 0.333332 0.517987 O\n0.333332 0.666666 0.017987 O\n-0.000000 0.362059 0.340540 O\n0.696457 0.696457 0.662675 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"Co",
"O"
],
"chemical_system": "Co-O-Y",
"density": 5.3857459488521755,
"density_atomic": 0.08280784437300463,
"volume": 362.284518177604,
"volume_molar": 7.272427878781034,
"formula_full": "Y6 Co6 O18",
"formula_reduced": "YCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.37827737,
"spacegroup": 185
},
{
"id": "jvasp-116490",
"created_at": "2022-09-04T14:38:43.293069Z",
"updated_at": "2022-09-04T14:38:43.293104Z",
"structure_string": "Ca4 Cd8 Pd4\n1.0\n5.519704 -0.000000 0.000000\n0.000000 7.947561 0.000000\n-0.000000 -0.000000 8.258413\nCa Cd Pd\n4 8 4\ndirect\n0.397850 0.534426 0.250000 Ca\n0.102149 0.034426 0.250000 Ca\n0.602149 0.465574 0.750000 Ca\n0.897850 0.965574 0.750000 Ca\n0.902765 0.675353 0.053850 Cd\n0.597234 0.175353 0.446150 Cd\n0.097234 0.324647 0.553850 Cd\n0.402765 0.824646 0.946149 Cd\n0.097234 0.324647 0.946149 Cd\n0.402765 0.824646 0.553850 Cd\n0.902765 0.675353 0.446150 Cd\n0.597234 0.175353 0.053850 Cd\n0.613553 0.881145 0.250000 Pd\n0.886446 0.381145 0.250000 Pd\n0.386447 0.118855 0.750000 Pd\n0.113553 0.618855 0.750000 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Pd"
],
"chemical_system": "Ca-Cd-Pd",
"density": 6.8078687417984645,
"density_atomic": 0.04416454147676663,
"volume": 362.28158303006546,
"volume_molar": 13.635691798516758,
"formula_full": "Ca4 Cd8 Pd4",
"formula_reduced": "CaCd2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-10549",
"created_at": "2022-09-04T14:37:13.832733Z",
"updated_at": "2022-09-04T14:37:13.832766Z",
"structure_string": "Ba6 B2 P2 O6\n1.0\n2.778755 -4.812945 -0.000000\n2.778755 4.812945 0.000000\n0.000000 -0.000000 13.543918\nBa B P O\n6 2 2 6\ndirect\n0.333334 0.666668 0.597325 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.666668 0.333334 0.097325 Ba\n0.666668 0.333334 0.402676 Ba\n0.333334 0.666668 0.902676 Ba\n0.666668 0.333334 0.750000 B\n0.333334 0.666668 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.478271 0.521731 0.250000 O\n0.521731 0.043462 0.750000 O\n0.521731 0.478271 0.750000 O\n0.043462 0.521731 0.250000 O\n0.478271 0.956540 0.250000 O\n0.956540 0.478271 0.750000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ba",
"B",
"P",
"O"
],
"chemical_system": "B-Ba-O-P",
"density": 4.599843878472225,
"density_atomic": 0.044165638694884046,
"volume": 362.27258277719346,
"volume_molar": 13.635353043581318,
"formula_full": "Ba6 B2 P2 O6",
"formula_reduced": "Ba3BPO3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.7274483116666668,
"spacegroup": 194
},
{
"id": "jvasp-10972",
"created_at": "2022-09-04T14:37:13.125521Z",
"updated_at": "2022-09-04T14:37:13.125548Z",
"structure_string": "Sr4 Ca4 Ge4\n1.0\n4.936890 -0.000000 0.000000\n0.000000 8.075966 0.000000\n0.000000 0.000000 9.086041\nSr Ca Ge\n4 4 4\ndirect\n0.250000 0.521517 0.179389 Sr\n0.250000 0.021517 0.320611 Sr\n0.750000 0.978483 0.679388 Sr\n0.750000 0.478483 0.820611 Sr\n0.750000 0.852051 0.074820 Ca\n0.250000 0.147949 0.925179 Ca\n0.750000 0.352051 0.425179 Ca\n0.250000 0.647950 0.574820 Ca\n0.750000 0.232565 0.104830 Ge\n0.250000 0.267435 0.604830 Ge\n0.250000 0.767435 0.895170 Ge\n0.750000 0.732566 0.395170 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge-Sr",
"density": 3.6732441688194855,
"density_atomic": 0.033125208554729425,
"volume": 362.26187014562083,
"volume_molar": 18.179933116648087,
"formula_full": "Sr4 Ca4 Ge4",
"formula_reduced": "SrCaGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-113138",
"created_at": "2022-09-04T14:38:45.933164Z",
"updated_at": "2022-09-04T14:38:45.933184Z",
"structure_string": "Sr6 Os6 N10\n1.0\n5.742002 0.017095 -1.542327\n-0.962355 6.609628 -2.517443\n-0.001609 0.013307 9.532106\nSr Os N\n6 6 10\ndirect\n0.820463 0.422961 0.618312 Sr\n0.179536 0.577041 0.381688 Sr\n0.659579 0.866702 0.893095 Sr\n0.340419 0.133299 0.106906 Sr\n0.663797 0.689675 0.211710 Sr\n0.336202 0.310326 0.788291 Sr\n0.903645 0.127767 0.291929 Os\n0.352043 0.088008 0.413551 Os\n0.096354 0.872235 0.708072 Os\n0.119045 0.676128 0.031469 Os\n0.880954 0.323874 0.968532 Os\n0.647956 0.911993 0.586449 Os\n0.129274 0.757628 0.864992 N\n0.898297 0.105949 0.780786 N\n0.101701 0.894053 0.219215 N\n0.826463 0.701452 0.497549 N\n0.173536 0.298550 0.502451 N\n0.728656 0.540679 0.922467 N\n0.271343 0.459323 0.077533 N\n0.361658 0.902670 0.642984 N\n0.638340 0.097331 0.357017 N\n0.870725 0.242374 0.135008 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Os",
"N"
],
"chemical_system": "N-Os-Sr",
"density": 8.286957163336531,
"density_atomic": 0.060753372300007685,
"volume": 362.1198160220847,
"volume_molar": 9.912438654864989,
"formula_full": "Sr6 Os6 N10",
"formula_reduced": "Sr3Os3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 4.59234547090909,
"spacegroup": 2
}
]
}