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=-nsites&page=363",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=361",
"results": [
{
"id": "jvasp-43658",
"created_at": "2022-09-04T14:35:57.908125Z",
"updated_at": "2022-09-04T14:35:57.908155Z",
"structure_string": "Li4 Cr2 P2 C2 O14\n1.0\n0.000000 4.982964 0.034747\n6.313390 0.000000 0.000000\n0.000000 -0.847507 -8.228468\nLi Cr P C O\n4 2 2 2 14\ndirect\n0.790524 0.244224 0.899703 Li\n0.263619 0.464294 0.721942 Li\n0.736380 0.964294 0.278058 Li\n0.209474 0.744224 0.100297 Li\n0.796418 0.752677 0.677015 Cr\n0.203581 0.252677 0.322985 Cr\n0.729762 0.249535 0.582334 P\n0.270237 0.749535 0.417666 P\n0.674282 0.751768 0.954386 C\n0.325717 0.251768 0.045613 C\n0.495070 0.223841 0.176242 O\n0.160867 0.937458 0.306334 O\n0.208242 0.560505 0.300125 O\n0.865625 0.230928 0.426534 O\n0.580126 0.778552 0.460922 O\n0.419873 0.278552 0.539078 O\n0.400853 0.279334 0.906584 O\n0.839131 0.437458 0.693666 O\n0.791757 0.060505 0.699875 O\n0.504928 0.723841 0.823758 O\n0.599146 0.779334 0.093416 O\n0.928069 0.754899 0.923573 O\n0.134374 0.730928 0.573465 O\n0.071930 0.254899 0.076427 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O-P",
"density": 2.8355389437083223,
"density_atomic": 0.09277990383017151,
"volume": 258.67670701546183,
"volume_molar": 6.4907814207516275,
"formula_full": "Li4 Cr2 P2 C2 O14",
"formula_reduced": "Li2CrPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 3.0832522833333336,
"spacegroup": 4
},
{
"id": "jvasp-97965",
"created_at": "2022-09-04T14:35:53.256255Z",
"updated_at": "2022-09-04T14:35:53.256286Z",
"structure_string": "La6 F18\n1.0\n7.198583 0.000000 0.000000\n-3.599291 6.234155 -0.000000\n0.000000 -0.000000 7.354630\nLa F\n6 18\ndirect\n0.342194 -0.000000 0.250000 La\n0.657806 0.657807 0.250000 La\n0.657806 -0.000000 0.750000 La\n0.000000 0.657807 0.750000 La\n0.342194 0.342194 0.750000 La\n0.000000 0.342194 0.250000 La\n0.057552 0.689070 0.080967 F\n0.310930 0.368482 0.080967 F\n0.631519 0.942449 0.080967 F\n0.368482 0.310931 0.419033 F\n0.942449 0.631519 0.419033 F\n0.689069 0.057551 0.419033 F\n0.000000 0.000000 0.750000 F\n0.368481 0.057551 0.919033 F\n0.631519 0.689070 0.580967 F\n0.057551 0.368482 0.580967 F\n0.310931 0.942449 0.580967 F\n0.333334 0.666667 0.318801 F\n0.666667 0.333334 0.181199 F\n0.666667 0.333334 0.681199 F\n0.333334 0.666667 0.818801 F\n0.000000 0.000000 0.250000 F\n0.689070 0.631519 0.919033 F\n0.942449 0.310931 0.919033 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"La",
"F"
],
"chemical_system": "F-La",
"density": 5.913585075119822,
"density_atomic": 0.07271530002576601,
"volume": 330.0543350779797,
"volume_molar": 8.281806934532497,
"formula_full": "La6 F18",
"formula_reduced": "LaF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 165
},
{
"id": "jvasp-97681",
"created_at": "2022-09-04T14:35:53.846561Z",
"updated_at": "2022-09-04T14:35:53.846576Z",
"structure_string": "Ba8 Nb4 N12\n1.0\n6.196114 0.000000 0.177107\n3.098057 5.946270 0.088554\n-0.001407 -0.000000 13.325917\nBa Nb N\n8 4 12\ndirect\n0.128118 0.227872 0.076763 Ba\n0.871882 0.772128 0.923238 Ba\n0.355990 0.772128 0.576763 Ba\n0.955838 0.601568 0.355919 Ba\n0.557406 0.398432 0.855919 Ba\n0.044161 0.398432 0.644081 Ba\n0.442593 0.601568 0.144081 Ba\n0.644010 0.227872 0.423238 Ba\n0.260879 0.002656 0.834198 Nb\n0.739120 0.997344 0.165803 Nb\n0.736464 0.002656 0.665803 Nb\n0.263535 0.997344 0.334197 Nb\n0.312916 0.820627 0.952900 N\n0.156518 0.315296 0.869874 N\n0.528185 0.315296 0.630126 N\n0.843481 0.684704 0.130126 N\n0.570921 0.858157 0.750000 N\n0.991957 0.016085 0.250000 N\n0.008043 0.983915 0.750000 N\n0.133542 0.179373 0.452900 N\n0.687084 0.179373 0.047100 N\n0.866457 0.820627 0.547100 N\n0.471814 0.684704 0.369874 N\n0.429078 0.141843 0.250000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"N"
],
"chemical_system": "Ba-N-Nb",
"density": 5.540971291693822,
"density_atomic": 0.04888198150053048,
"volume": 490.9784600229339,
"volume_molar": 12.319755818275587,
"formula_full": "Ba8 Nb4 N12",
"formula_reduced": "Ba2NbN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.587018515,
"spacegroup": 15
},
{
"id": "jvasp-98818",
"created_at": "2022-09-04T14:35:58.163899Z",
"updated_at": "2022-09-04T14:35:58.163927Z",
"structure_string": "Ho16 Cd4 Rh4\n1.0\n8.228880 0.000000 4.750945\n2.742960 7.758262 4.750945\n0.000000 0.000000 9.501892\nHo Cd Rh\n16 4 4\ndirect\n0.435788 0.064212 0.435788 Ho\n0.810909 0.189091 0.810910 Ho\n0.435788 0.435788 0.064212 Ho\n0.435788 0.064212 0.064212 Ho\n0.064212 0.435788 0.435788 Ho\n0.189091 0.189091 0.810909 Ho\n0.189091 0.810909 0.810910 Ho\n0.649842 0.050475 0.649842 Ho\n0.064212 0.064212 0.435788 Ho\n0.649842 0.649841 0.050476 Ho\n0.649842 0.649841 0.649842 Ho\n0.810909 0.189091 0.189091 Ho\n0.050475 0.649841 0.649842 Ho\n0.189091 0.810909 0.189091 Ho\n0.064212 0.435788 0.064212 Ho\n0.810909 0.810909 0.189091 Ho\n0.418150 0.745550 0.418151 Cd\n0.418150 0.418150 0.745550 Cd\n0.418150 0.418150 0.418150 Cd\n0.745550 0.418150 0.418150 Cd\n0.857404 0.857403 0.427790 Rh\n0.857404 0.427789 0.857404 Rh\n0.427789 0.857403 0.857404 Rh\n0.857404 0.857403 0.857404 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Cd",
"Rh"
],
"chemical_system": "Cd-Ho-Rh",
"density": 9.581216024608693,
"density_atomic": 0.03956361626267214,
"volume": 606.6179552611765,
"volume_molar": 15.221411308859114,
"formula_full": "Ho16 Cd4 Rh4",
"formula_reduced": "Ho4CdRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1307775027777776,
"spacegroup": 216
},
{
"id": "jvasp-87919",
"created_at": "2022-09-04T14:36:04.470021Z",
"updated_at": "2022-09-04T14:36:04.470046Z",
"structure_string": "Li8 B4 Pt12\n1.0\n6.834770 0.000000 0.000000\n0.000000 6.834770 0.000000\n-0.000000 0.000000 6.834770\nLi B Pt\n8 4 12\ndirect\n0.302835 0.302835 0.302835 Li\n0.052835 0.447165 0.552835 Li\n0.552835 0.052835 0.447165 Li\n0.447165 0.552835 0.052835 Li\n0.197165 0.697165 0.802835 Li\n0.947165 0.947165 0.947165 Li\n0.802835 0.197165 0.697165 Li\n0.697165 0.802835 0.197165 Li\n0.625000 0.625000 0.625000 B\n0.125000 0.875000 0.375000 B\n0.875000 0.375000 0.125000 B\n0.375000 0.125000 0.875000 B\n0.125000 0.311920 0.938080 Pt\n0.188080 0.061920 0.625000 Pt\n0.438080 0.375000 0.688080 Pt\n0.061920 0.625000 0.188080 Pt\n0.938080 0.125000 0.311920 Pt\n0.311920 0.938080 0.125000 Pt\n0.688080 0.438080 0.375000 Pt\n0.561920 0.875000 0.811920 Pt\n0.625000 0.188080 0.061920 Pt\n0.375000 0.688080 0.438080 Pt\n0.875000 0.811920 0.561920 Pt\n0.811920 0.561920 0.875000 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"B",
"Pt"
],
"chemical_system": "B-Li-Pt",
"density": 12.689019091874341,
"density_atomic": 0.0751691307616281,
"volume": 319.2799990744523,
"volume_molar": 8.011454567829258,
"formula_full": "Li8 B4 Pt12",
"formula_reduced": "Li2BPt3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4438927972222224,
"spacegroup": 212
},
{
"id": "jvasp-63266",
"created_at": "2022-09-04T14:35:59.084898Z",
"updated_at": "2022-09-04T14:35:59.084925Z",
"structure_string": "U4 Mn4 B16\n1.0\n3.456921 0.000000 0.000000\n0.000000 5.841372 -0.000000\n0.000000 -0.000000 11.322587\nU Mn B\n4 4 16\ndirect\n0.000000 0.126609 0.849537 U\n0.000000 0.873391 0.150463 U\n0.000000 0.373391 0.349537 U\n0.000000 0.626608 0.650463 U\n0.000000 0.135601 0.591256 Mn\n0.000000 0.864399 0.408745 Mn\n0.000000 0.364399 0.091255 Mn\n0.000000 0.635601 0.908745 Mn\n0.500000 0.526271 0.191242 B\n0.500000 0.473729 0.808758 B\n0.500000 0.886832 0.545793 B\n0.500000 0.113168 0.454207 B\n0.500000 0.613168 0.045793 B\n0.500000 0.386832 0.954207 B\n0.500000 0.864263 0.966785 B\n0.500000 0.784122 0.813058 B\n0.500000 0.635737 0.466785 B\n0.500000 0.364263 0.533215 B\n0.500000 0.026271 0.308758 B\n0.500000 0.215878 0.186942 B\n0.500000 0.715878 0.313058 B\n0.500000 0.284122 0.686942 B\n0.500000 0.135737 0.033215 B\n0.500000 0.973729 0.691242 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"U",
"Mn",
"B"
],
"chemical_system": "B-Mn-U",
"density": 9.767219847423947,
"density_atomic": 0.10496904738046894,
"volume": 228.63882829202046,
"volume_molar": 5.737063363233408,
"formula_full": "U4 Mn4 B16",
"formula_reduced": "UMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.103325595785441,
"spacegroup": 55
},
{
"id": "jvasp-96740",
"created_at": "2022-09-04T14:36:00.613556Z",
"updated_at": "2022-09-04T14:36:00.613583Z",
"structure_string": "La6 F18\n1.0\n7.194447 0.000000 0.000000\n-3.597223 6.230574 0.000000\n-0.000000 0.000000 7.162527\nLa F\n6 18\ndirect\n0.326304 0.326304 0.000000 La\n0.326304 0.000000 0.500000 La\n0.673696 0.000000 0.000000 La\n0.000000 0.673695 0.000000 La\n0.673696 0.673695 0.500000 La\n0.000000 0.326304 0.500000 La\n0.343602 0.343606 0.334043 F\n0.656394 -0.000005 0.334043 F\n0.000005 0.656398 0.334043 F\n-0.000005 0.343601 0.834043 F\n0.656399 0.000005 0.665958 F\n0.656399 0.656393 0.834043 F\n0.000000 0.000000 0.750000 F\n0.000005 0.343606 0.165958 F\n-0.000005 0.656393 0.665958 F\n0.343606 0.343601 0.665958 F\n0.343601 -0.000005 0.165958 F\n0.333334 0.666666 -0.000008 F\n0.666667 0.333333 0.499993 F\n0.666667 0.333333 0.000008 F\n0.333334 0.666666 0.500008 F\n0.000000 0.000000 0.250000 F\n0.656394 0.656398 0.165958 F\n0.343606 0.000005 0.834043 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"La",
"F"
],
"chemical_system": "F-La",
"density": 6.079173555380588,
"density_atomic": 0.07475142800397527,
"volume": 321.0641005911443,
"volume_molar": 8.056221694761126,
"formula_full": "La6 F18",
"formula_reduced": "LaF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0393049999999999,
"spacegroup": 193
},
{
"id": "jvasp-98783",
"created_at": "2022-09-04T14:35:53.269939Z",
"updated_at": "2022-09-04T14:35:53.269954Z",
"structure_string": "K4 Mn4 F16\n1.0\n5.708375 0.000000 -0.055295\n0.000000 7.697022 0.000000\n0.017428 0.000000 7.754918\nK Mn F\n4 4 16\ndirect\n0.517560 0.694658 0.252514 K\n0.482439 0.194658 0.247486 K\n0.482439 0.305342 0.747486 K\n0.517561 0.805342 0.752514 K\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.293470 0.578628 0.556195 F\n0.901895 0.480174 0.766228 F\n0.098104 0.519825 0.233772 F\n0.901895 0.019826 0.266227 F\n0.706530 0.421372 0.443805 F\n0.098104 0.980174 0.733772 F\n0.877725 0.731076 0.499133 F\n0.705611 0.435154 0.066612 F\n0.122274 0.268924 0.500867 F\n0.877726 0.768924 0.999133 F\n0.293470 0.921372 0.056194 F\n0.294389 0.935154 0.433387 F\n0.294389 0.564846 0.933387 F\n0.706530 0.078628 0.943805 F\n0.122274 0.231076 0.000866 F\n0.705611 0.064846 0.566613 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Mn",
"F"
],
"chemical_system": "F-K-Mn",
"density": 3.3144589785557756,
"density_atomic": 0.07043513546883855,
"volume": 340.73903372583027,
"volume_molar": 8.549910098013905,
"formula_full": "K4 Mn4 F16",
"formula_reduced": "KMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1264014838649424,
"spacegroup": 14
},
{
"id": "jvasp-95088",
"created_at": "2022-09-04T14:36:05.020297Z",
"updated_at": "2022-09-04T14:36:05.020322Z",
"structure_string": "Al4 Se4 Br12 N4\n1.0\n7.661098 0.038533 0.000000\n-3.301317 8.855755 0.000000\n0.000000 0.000000 9.873732\nAl Se Br N\n4 4 12 4\ndirect\n0.386239 0.158777 0.128591 Al\n0.113761 0.341223 0.628591 Al\n0.886239 0.658777 0.371409 Al\n0.613761 0.841223 0.871409 Al\n0.469806 0.631589 0.464425 Se\n0.530193 0.368411 0.535575 Se\n0.969807 0.131588 0.035575 Se\n0.030192 0.868412 0.964425 Se\n0.118485 0.712763 0.533694 Br\n0.685582 0.624936 0.828879 Br\n0.314418 0.375065 0.171121 Br\n0.381515 0.787238 0.033694 Br\n0.429042 0.046419 0.324235 Br\n0.070958 0.453581 0.824235 Br\n0.929042 0.546419 0.175765 Br\n0.814418 0.875065 0.328879 Br\n0.618485 0.212763 0.966306 Br\n0.570958 0.953581 0.675764 Br\n0.185582 0.124935 0.671121 Br\n0.881515 0.287237 0.466306 Br\n0.653530 0.549248 0.453589 N\n0.846470 0.950752 0.953589 N\n0.346470 0.450752 0.546411 N\n0.153530 0.049248 0.046411 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Al",
"Se",
"Br",
"N"
],
"chemical_system": "Al-Br-N-Se",
"density": 3.559508440951433,
"density_atomic": 0.03576018459866326,
"volume": 671.1374750816342,
"volume_molar": 16.84035143438581,
"formula_full": "Al4 Se4 Br12 N4",
"formula_reduced": "AlSeBr3N",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.375495288611111,
"spacegroup": 14
},
{
"id": "jvasp-98035",
"created_at": "2022-09-04T14:36:00.667111Z",
"updated_at": "2022-09-04T14:36:00.667136Z",
"structure_string": "La4 As4 O16\n1.0\n6.830676 -0.013089 0.000000\n-1.785298 6.827522 0.000000\n0.000000 0.000000 7.253919\nLa As O\n4 4 16\ndirect\n0.400886 0.218501 0.153314 La\n0.599115 0.781499 0.846686 La\n0.900886 0.718501 0.346686 La\n0.099115 0.281499 0.653314 La\n0.886054 0.196690 0.163056 As\n0.613946 0.303310 0.663056 As\n0.113946 0.803310 0.836944 As\n0.386054 0.696690 0.336944 As\n0.570974 0.747041 0.503898 O\n0.929026 0.752958 0.003898 O\n0.429026 0.252958 0.496102 O\n0.070974 0.247042 0.996102 O\n0.171299 0.515949 0.390290 O\n0.723899 0.116705 0.713811 O\n0.776102 0.383295 0.213811 O\n0.003679 0.108527 0.342545 O\n0.496321 0.391473 0.842545 O\n0.996321 0.891473 0.657456 O\n0.503679 0.608526 0.157456 O\n0.671300 0.015950 0.109710 O\n0.828701 0.484050 0.609711 O\n0.328700 0.984050 0.890290 O\n0.223898 0.616705 0.786189 O\n0.276101 0.883294 0.286189 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"La",
"As",
"O"
],
"chemical_system": "As-La-O",
"density": 5.457554263576822,
"density_atomic": 0.07097892348859217,
"volume": 338.12854324083,
"volume_molar": 8.484407009875104,
"formula_full": "La4 As4 O16",
"formula_reduced": "LaAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.135941791666667,
"spacegroup": 14
},
{
"id": "jvasp-97444",
"created_at": "2022-09-04T14:36:02.034275Z",
"updated_at": "2022-09-04T14:36:02.034305Z",
"structure_string": "Si8 O16\n1.0\n6.677961 -0.560825 0.000000\n-1.079132 6.614013 -0.000000\n-0.000000 0.000000 9.183742\nSi O\n8 16\ndirect\n0.680680 0.927810 0.415382 Si\n0.927811 0.680679 0.915382 Si\n0.319320 0.072189 0.915382 Si\n0.680680 0.927810 0.084618 Si\n0.319320 0.072189 0.584618 Si\n0.072189 0.319320 0.415382 Si\n0.927811 0.680679 0.584618 Si\n0.072189 0.319320 0.084618 Si\n0.500000 -0.000000 0.000000 O\n0.606996 0.859733 0.250000 O\n0.140266 0.393004 0.250000 O\n0.883546 0.116453 0.410641 O\n0.733556 0.733556 0.000000 O\n0.116454 0.883545 0.910641 O\n0.266444 0.266443 0.500000 O\n0.733556 0.733556 0.500000 O\n0.859734 0.606995 0.750000 O\n0.393004 0.140266 0.750000 O\n0.500000 -0.000000 0.500000 O\n0.883546 0.116453 0.089359 O\n0.116454 0.883545 0.589359 O\n0.266444 0.266443 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.995094477426876,
"density_atomic": 0.05998941375724771,
"volume": 400.07058740593885,
"volume_molar": 10.038672463726863,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4006652000000002,
"spacegroup": 63
},
{
"id": "jvasp-42631",
"created_at": "2022-09-04T14:36:03.990876Z",
"updated_at": "2022-09-04T14:36:03.990898Z",
"structure_string": "Li4 Fe2 P4 O14\n1.0\n0.000000 -0.000000 7.095755\n6.528023 -3.150699 3.547877\n6.528023 3.150699 -3.547877\nLi Fe P O\n4 2 4 14\ndirect\n0.000000 0.225495 0.225495 Li\n0.500000 0.274505 0.274505 Li\n-0.000000 0.774505 0.774505 Li\n0.500000 0.725495 0.725495 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.564023 0.639740 0.139740 P\n0.435978 0.139740 0.639740 P\n0.564023 0.860260 0.360260 P\n0.435978 0.360260 0.860260 P\n0.711662 0.942939 0.442939 O\n0.288339 0.442939 0.942939 O\n0.637858 0.661200 0.562216 O\n0.362142 0.562216 0.661200 O\n0.329912 0.250000 0.750000 O\n0.670089 0.750000 0.250000 O\n0.763158 0.161200 0.062216 O\n0.637858 0.437784 0.338799 O\n0.711662 0.557061 0.057061 O\n0.288339 0.057061 0.557061 O\n0.236842 0.838799 0.937783 O\n0.236842 0.062216 0.161201 O\n0.362142 0.338799 0.437784 O\n0.763158 0.937783 0.838799 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.7724551885301603,
"density_atomic": 0.08222313720184055,
"volume": 291.88864371697514,
"volume_molar": 7.324143744621308,
"formula_full": "Li4 Fe2 P4 O14",
"formula_reduced": "Li2FeP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.6308875833333336,
"spacegroup": 74
}
]
}