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=-formula_reduced&page=3862",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3860",
"results": [
{
"id": "jvasp-49385",
"created_at": "2022-09-04T14:37:03.848569Z",
"updated_at": "2022-09-04T14:37:03.848596Z",
"structure_string": "Ca12 Ga2 N10\n1.0\n3.149582 -5.455237 0.000000\n3.149582 5.455237 -0.000000\n-0.000000 -0.000000 12.152701\nCa Ga N\n12 2 10\ndirect\n-0.000000 0.591347 0.122652 Ca\n0.408653 0.408653 0.122652 Ca\n0.591347 -0.000000 0.377348 Ca\n-0.000000 0.591347 0.377348 Ca\n-0.000000 0.408653 0.877348 Ca\n0.408653 -0.000000 0.877348 Ca\n-0.000000 0.408653 0.622652 Ca\n0.408653 -0.000000 0.622652 Ca\n0.408653 0.408653 0.377348 Ca\n0.591346 0.591346 0.877348 Ca\n0.591347 -0.000000 0.122652 Ca\n0.591346 0.591346 0.622652 Ca\n0.000000 0.000000 0.250000 Ga\n0.000000 0.000000 0.750000 Ga\n0.701559 -0.000000 0.750000 N\n0.666667 0.333333 0.000000 N\n0.333333 0.666667 0.500000 N\n0.333333 0.666667 0.000000 N\n0.298441 -0.000000 0.250000 N\n0.298441 0.298441 0.750000 N\n0.701559 0.701559 0.250000 N\n-0.000000 0.701559 0.750000 N\n0.666667 0.333333 0.500000 N\n-0.000000 0.298441 0.250000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"N"
],
"chemical_system": "Ca-Ga-N",
"density": 3.023777556843752,
"density_atomic": 0.05747009173959541,
"volume": 417.60852077193783,
"volume_molar": 10.47873872776664,
"formula_full": "Ca12 Ga2 N10",
"formula_reduced": "Ca6GaN5",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.2260642579166667,
"spacegroup": 193
},
{
"id": "jvasp-87880",
"created_at": "2022-09-04T14:36:08.470225Z",
"updated_at": "2022-09-04T14:36:08.470251Z",
"structure_string": "Ca12 Fe2 N10\n1.0\n6.214086 -0.000000 -0.000000\n-3.107042 5.381556 0.000000\n-0.000000 0.000000 12.183181\nCa Fe N\n12 2 10\ndirect\n0.603519 0.603519 0.879420 Ca\n0.000000 0.603519 0.379420 Ca\n0.396482 0.000000 0.879420 Ca\n0.603519 0.603519 0.620580 Ca\n0.000000 0.396482 0.620580 Ca\n0.000000 0.603519 0.120580 Ca\n0.396482 0.396482 0.120580 Ca\n0.603519 0.000000 0.379420 Ca\n0.396482 0.396482 0.379420 Ca\n0.396482 0.000000 0.620580 Ca\n0.000000 0.396482 0.879420 Ca\n0.603519 0.000000 0.120580 Ca\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.000001 0.711170 0.750000 N\n0.000000 0.288831 0.250000 N\n0.711170 0.711170 0.250000 N\n0.666668 0.333333 0.000000 N\n0.333334 0.666667 0.500000 N\n0.333334 0.666667 0.000000 N\n0.666668 0.333333 0.500000 N\n0.288831 0.000000 0.250000 N\n0.288831 0.288831 0.750000 N\n0.711170 0.000000 0.750000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-N",
"density": 2.9862442067244523,
"density_atomic": 0.058906798769505705,
"volume": 407.42326015556773,
"volume_molar": 10.223167589812203,
"formula_full": "Ca12 Fe2 N10",
"formula_reduced": "Ca6FeN5",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.6205145225,
"spacegroup": 193
},
{
"id": "jvasp-38035",
"created_at": "2022-09-04T14:37:58.872736Z",
"updated_at": "2022-09-04T14:37:58.872757Z",
"structure_string": "Ca6 Al2 N1 F1\n1.0\n-0.000006 4.895014 4.895023\n4.895002 -0.000001 4.895018\n4.895008 4.895014 -0.000007\nCa Al N F\n6 2 1 1\ndirect\n0.241342 0.758658 0.758659 Ca\n0.241341 0.758659 0.241341 Ca\n0.758658 0.241341 0.758659 Ca\n0.758658 0.758658 0.241340 Ca\n0.241340 0.241341 0.758659 Ca\n0.758658 0.241341 0.241340 Ca\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.749999 Al\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Al",
"N",
"F"
],
"chemical_system": "Al-Ca-F-N",
"density": 2.3178405334626593,
"density_atomic": 0.042629259660669244,
"volume": 234.58066313138988,
"volume_molar": 14.126777729513725,
"formula_full": "Ca6 Al2 N1 F1",
"formula_reduced": "Ca6Al2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.5833241652500001,
"spacegroup": 225
},
{
"id": "jvasp-20805",
"created_at": "2022-09-04T14:37:55.463123Z",
"updated_at": "2022-09-04T14:37:55.463147Z",
"structure_string": "Ca10 Zn6\n1.0\n7.076486 -0.000000 -3.249124\n-1.491815 6.917453 -3.249124\n0.028042 0.034735 9.391816\nCa Zn\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000001 Ca\n0.318146 0.818145 0.295338 Ca\n0.477193 0.318145 0.295338 Ca\n0.818146 0.977192 0.295339 Ca\n0.522808 0.681854 0.704663 Ca\n0.181855 0.022807 0.704662 Ca\n0.022807 0.522807 0.704663 Ca\n0.681855 0.181854 0.704663 Ca\n0.977193 0.477192 0.295339 Ca\n0.250000 0.250000 0.500000 Zn\n0.750001 0.749999 0.500001 Zn\n0.381455 0.881454 0.000001 Zn\n0.118546 0.381454 0.000000 Zn\n0.881455 0.618546 0.000001 Zn\n0.618546 0.118546 0.000000 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.8551618454444343,
"density_atomic": 0.034681693486239236,
"volume": 461.3384870132818,
"volume_molar": 17.364033167496345,
"formula_full": "Ca10 Zn6",
"formula_reduced": "Ca5Zn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-56724",
"created_at": "2022-09-04T14:38:33.363096Z",
"updated_at": "2022-09-04T14:38:33.363109Z",
"structure_string": "Ca10 W2 N8 O4\n1.0\n0.000000 6.106241 0.020448\n6.745988 0.000000 0.000000\n0.000000 -0.149402 -8.459461\nCa W N O\n10 2 8 4\ndirect\n0.267456 0.490560 0.665018 Ca\n0.497555 0.750000 0.982995 Ca\n0.732545 0.509440 0.334982 Ca\n0.502445 0.250000 0.017005 Ca\n0.000000 0.500000 0.000000 Ca\n0.806179 0.750000 0.671145 Ca\n0.000000 0.000000 0.000000 Ca\n0.267456 0.009440 0.665018 Ca\n0.732545 0.990560 0.334982 Ca\n0.193821 0.250000 0.328854 Ca\n0.718003 0.250000 0.677121 W\n0.281997 0.750000 0.322879 W\n0.335177 0.975322 0.190373 N\n0.028808 0.750000 0.446893 N\n0.664823 0.475322 0.809627 N\n0.971192 0.250000 0.553107 N\n0.335177 0.524678 0.190373 N\n0.664823 0.024678 0.809627 N\n0.494118 0.250000 0.523170 N\n0.505882 0.750000 0.476830 N\n0.807958 0.750000 0.128723 O\n0.151858 0.750000 0.829241 O\n0.192042 0.250000 0.871277 O\n0.848142 0.250000 0.170759 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"W",
"N",
"O"
],
"chemical_system": "Ca-N-O-W",
"density": 4.50111073293933,
"density_atomic": 0.06887708034244534,
"volume": 348.4468255721062,
"volume_molar": 8.743315962376629,
"formula_full": "Ca10 W2 N8 O4",
"formula_reduced": "Ca5W(N2O)2",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 3.006441008333333,
"spacegroup": 11
},
{
"id": "jvasp-98992",
"created_at": "2022-09-04T14:36:01.390848Z",
"updated_at": "2022-09-04T14:36:01.390869Z",
"structure_string": "Ca10 Sn4 As12\n1.0\n4.166500 0.000000 0.000000\n0.000000 12.043422 0.000000\n0.000000 0.000000 13.412027\nCa Sn As\n10 4 12\ndirect\n0.000000 0.624471 0.744358 Ca\n0.000000 0.375529 0.255642 Ca\n0.000000 0.124471 0.755643 Ca\n0.000000 0.875529 0.244358 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.866139 0.564999 Ca\n0.000000 0.133861 0.435001 Ca\n0.000000 0.366139 0.935001 Ca\n0.000000 0.633860 0.064999 Ca\n0.500000 0.208758 0.109551 Sn\n0.500000 0.291241 0.609551 Sn\n0.500000 0.708758 0.390449 Sn\n0.500000 0.791241 0.890449 Sn\n0.000000 0.620969 0.293536 As\n0.500000 0.834807 0.083946 As\n0.500000 0.165193 0.916054 As\n0.500000 0.334807 0.416054 As\n0.500000 0.665193 0.583947 As\n0.500000 0.571994 0.898395 As\n0.500000 0.428006 0.101605 As\n0.500000 0.071994 0.601605 As\n0.500000 0.928006 0.398395 As\n0.000000 0.120969 0.206464 As\n0.000000 0.379031 0.706464 As\n0.000000 0.879031 0.793536 As\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"As"
],
"chemical_system": "As-Ca-Sn",
"density": 4.378781224485312,
"density_atomic": 0.03863292923055732,
"volume": 673.0009998681356,
"volume_molar": 15.588102895487134,
"formula_full": "Ca10 Sn4 As12",
"formula_reduced": "Ca5(SnAs3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.114978923076923,
"spacegroup": 55
},
{
"id": "jvasp-54936",
"created_at": "2022-09-04T14:38:30.205530Z",
"updated_at": "2022-09-04T14:38:30.205544Z",
"structure_string": "Ca10 Si4 N12\n1.0\n5.703359 0.009557 0.872170\n2.506630 5.123009 0.872170\n0.002734 0.001709 12.757650\nCa Si N\n10 4 12\ndirect\n0.805266 0.325322 0.000825 Ca\n0.381656 0.618344 0.250000 Ca\n0.239240 0.067335 0.783947 Ca\n0.618343 0.381657 0.750000 Ca\n0.674678 0.194734 0.499175 Ca\n0.325321 0.805267 0.500825 Ca\n0.067335 0.239241 0.283946 Ca\n0.194733 0.674679 0.999175 Ca\n0.760759 0.932665 0.216054 Ca\n0.932664 0.760760 0.716054 Ca\n0.647601 0.906325 0.923661 Si\n0.906324 0.647603 0.423661 Si\n0.352398 0.093676 0.076339 Si\n0.093675 0.352398 0.576339 Si\n0.657406 0.791443 0.062380 N\n0.691667 0.610051 0.351916 N\n0.014584 0.100846 0.627553 N\n0.791442 0.657407 0.562380 N\n0.100846 0.014585 0.127553 N\n0.308332 0.389950 0.648084 N\n0.208557 0.342594 0.437620 N\n0.899153 0.985416 0.872447 N\n0.610050 0.691668 0.851916 N\n0.342592 0.208558 0.937620 N\n0.985415 0.899155 0.372447 N\n0.389949 0.308333 0.148084 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Si",
"N"
],
"chemical_system": "Ca-N-Si",
"density": 3.037209500017703,
"density_atomic": 0.06981083470330587,
"volume": 372.4350254584304,
"volume_molar": 8.626369797172504,
"formula_full": "Ca10 Si4 N12",
"formula_reduced": "Ca5(SiN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.2068391384615382,
"spacegroup": 15
},
{
"id": "jvasp-35131",
"created_at": "2022-09-04T14:37:32.719229Z",
"updated_at": "2022-09-04T14:37:32.719257Z",
"structure_string": "Ca10 Si4 N12\n1.0\n-3.086642 -5.004027 0.501728\n-3.086642 5.004027 0.501728\n-0.018214 0.000000 -12.017490\nCa Si N\n10 4 12\ndirect\n0.729892 0.379371 0.261439 Ca\n0.379371 0.729892 0.261439 Ca\n0.270107 0.620628 0.738561 Ca\n0.620628 0.270107 0.738561 Ca\n0.089979 0.089979 0.207056 Ca\n0.910020 0.910020 0.792944 Ca\n0.811995 0.188004 0.500000 Ca\n0.188004 0.811995 0.500000 Ca\n0.758796 0.241203 -0.000000 Ca\n0.241203 0.758796 -0.000000 Ca\n0.323408 0.323408 0.931171 Si\n0.676590 0.676590 0.068828 Si\n0.349037 0.349037 0.425141 Si\n0.650962 0.650962 0.574859 Si\n0.356294 0.356294 0.574863 N\n0.093661 0.388359 0.362120 N\n0.388359 0.093661 0.362120 N\n0.906338 0.611639 0.637879 N\n0.611639 0.906338 0.637879 N\n0.947416 0.657319 0.127394 N\n0.657319 0.947416 0.127394 N\n0.052583 0.342679 0.872606 N\n0.342679 0.052583 0.872606 N\n0.390182 0.390182 0.085161 N\n0.609817 0.609817 0.914839 N\n0.643705 0.643705 0.425137 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Si",
"N"
],
"chemical_system": "Ca-N-Si",
"density": 3.0462715580182063,
"density_atomic": 0.07001912782010972,
"volume": 371.3271045991624,
"volume_molar": 8.600708045766922,
"formula_full": "Ca10 Si4 N12",
"formula_reduced": "Ca5(SiN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.2068322153846154,
"spacegroup": 12
},
{
"id": "jvasp-20336",
"created_at": "2022-09-04T14:38:27.546264Z",
"updated_at": "2022-09-04T14:38:27.546287Z",
"structure_string": "Ca10 Si6\n1.0\n6.924209 0.000000 -3.173356\n-1.454344 6.769741 -3.173355\n-0.014001 -0.017325 9.110382\nCa Si\n10 6\ndirect\n0.179395 0.037980 0.717377 Ca\n0.037984 0.537980 0.717377 Ca\n0.679394 0.179392 0.717379 Ca\n0.962017 0.462019 0.282622 Ca\n0.537986 0.679391 0.717379 Ca\n0.820606 0.962019 0.282622 Ca\n0.462015 0.320608 0.282620 Ca\n0.320607 0.820608 0.282620 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.613417 0.113418 -0.000000 Si\n0.886582 0.613418 -0.000001 Si\n0.113419 0.386582 -0.000000 Si\n0.386583 0.886582 -0.000000 Si\n0.750000 0.750000 0.499999 Si\n0.250001 0.250000 0.500000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.217589516288905,
"density_atomic": 0.03753325256304132,
"volume": 426.2886615841833,
"volume_molar": 16.044814527824727,
"formula_full": "Ca10 Si6",
"formula_reduced": "Ca5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.9804659874999996,
"spacegroup": 140
},
{
"id": "jvasp-49579",
"created_at": "2022-09-04T14:37:18.691248Z",
"updated_at": "2022-09-04T14:37:18.691278Z",
"structure_string": "Ca5 Sc2 Co2 O12\n1.0\n6.334864 -0.055341 -0.325572\n-0.333856 6.375307 -0.195580\n-0.050608 0.076874 6.386375\nCa Sc Co O\n5 2 2 12\ndirect\n0.112045 0.743000 0.378809 Ca\n0.387954 0.121190 0.757001 Ca\n0.624388 0.888721 0.246766 Ca\n0.875610 0.253234 0.611280 Ca\n0.249999 0.616519 0.883481 Ca\n0.250000 0.253629 0.246371 Sc\n0.749999 0.740464 0.759536 Sc\n0.496182 0.502599 0.497860 Co\n0.003817 0.002140 0.997401 Co\n0.453846 0.786041 0.588745 O\n0.394945 0.558148 0.219346 O\n0.205675 0.413448 0.539062 O\n0.574694 0.454132 0.780410 O\n0.717319 0.030591 0.901770 O\n0.046152 0.911255 0.713960 O\n0.294324 0.960938 0.086552 O\n0.925304 0.719591 0.045868 O\n0.105054 0.280654 0.941853 O\n0.968555 0.072774 0.288934 O\n0.531444 0.211067 0.427227 O\n0.782679 0.598231 0.469409 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 3.865682138128731,
"density_atomic": 0.08145702738411342,
"volume": 257.8046446621944,
"volume_molar": 7.393027898750083,
"formula_full": "Ca5 Sc2 Co2 O12",
"formula_reduced": "Ca5Sc2(CoO6)2",
"formula_anonymous": "A2B2C5D12",
"energy_above_hull": 2.1944355428571427,
"spacegroup": 5
},
{
"id": "jvasp-22931",
"created_at": "2022-09-04T14:37:32.670447Z",
"updated_at": "2022-09-04T14:37:32.670467Z",
"structure_string": "Ca20 Sb12\n1.0\n8.234640 0.000000 0.000000\n0.000000 9.540718 0.000000\n0.000000 0.000000 12.558001\nCa Sb\n20 12\ndirect\n0.307938 0.959673 0.077963 Ca\n0.964255 0.750000 0.003979 Ca\n0.464255 0.250000 0.496021 Ca\n0.035745 0.250000 0.996021 Ca\n0.535745 0.750000 0.503979 Ca\n0.845138 0.250000 0.706978 Ca\n0.654862 0.250000 0.206978 Ca\n0.154862 0.750000 0.293022 Ca\n0.819471 0.750000 0.727375 Ca\n0.319471 0.250000 0.772625 Ca\n0.345138 0.750000 0.793022 Ca\n0.680529 0.750000 0.227375 Ca\n0.807938 0.459673 0.422037 Ca\n0.307938 0.540327 0.077963 Ca\n0.192062 0.959673 0.577963 Ca\n0.692062 0.040327 0.922037 Ca\n0.192062 0.540327 0.577963 Ca\n0.692062 0.459673 0.922037 Ca\n0.807938 0.040327 0.422037 Ca\n0.180529 0.250000 0.272625 Ca\n0.074326 0.250000 0.514661 Sb\n0.574326 0.750000 0.985339 Sb\n0.439683 0.510728 0.328599 Sb\n0.939683 0.489272 0.171401 Sb\n0.560317 0.010728 0.671401 Sb\n0.439683 0.989272 0.328599 Sb\n0.560317 0.489272 0.671401 Sb\n0.060317 0.510728 0.828599 Sb\n0.939683 0.010728 0.171401 Sb\n0.425674 0.250000 0.014661 Sb\n0.060317 0.989272 0.828599 Sb\n0.925674 0.750000 0.485339 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 3.8082552139609143,
"density_atomic": 0.03243424463931548,
"volume": 986.6115383865265,
"volume_molar": 18.567229873761892,
"formula_full": "Ca20 Sb12",
"formula_reduced": "Ca5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.35368725625,
"spacegroup": 62
},
{
"id": "jvasp-76219",
"created_at": "2022-09-04T14:36:20.859330Z",
"updated_at": "2022-09-04T14:36:20.859360Z",
"structure_string": "Ca10 Sb6\n1.0\n9.031500 0.000000 0.000000\n-4.515751 7.821509 -0.000000\n0.000000 -0.000000 6.917966\nCa Sb\n10 6\ndirect\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.500000 Ca\n0.666667 0.333333 0.000000 Ca\n0.333333 0.666667 0.500000 Ca\n0.252222 -0.000000 0.250000 Ca\n0.252222 0.252222 0.750000 Ca\n0.000000 0.747778 0.750000 Ca\n0.000000 0.252222 0.250000 Ca\n0.747778 0.747778 0.250000 Ca\n0.747778 -0.000000 0.750000 Ca\n0.611531 -0.000000 0.250000 Sb\n0.611531 0.611531 0.750000 Sb\n0.000000 0.388469 0.750000 Sb\n0.000000 0.611531 0.250000 Sb\n0.388469 0.388469 0.250000 Sb\n0.388469 -0.000000 0.750000 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 3.8442655613371683,
"density_atomic": 0.03274093847959868,
"volume": 488.6848313761628,
"volume_molar": 18.39330526140073,
"formula_full": "Ca10 Sb6",
"formula_reduced": "Ca5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.35273225625,
"spacegroup": 193
}
]
}