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=updated_at&page=4465",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4463",
"results": [
{
"id": "jvasp-119279",
"created_at": "2022-09-04T14:38:50.519522Z",
"updated_at": "2022-09-04T14:38:50.519553Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n5.866439 -0.093361 -0.014109\n2.806306 4.996156 -1.610272\n-0.055061 0.105373 10.127893\nLi Fe Te O\n4 6 2 16\ndirect\n0.292636 0.404785 0.570654 Li\n0.795741 0.396512 0.071112 Li\n0.207293 0.595270 0.929347 Li\n0.704338 0.603423 0.428886 Li\n0.250054 0.999963 0.250000 Fe\n0.749951 0.000039 0.749997 Fe\n0.495778 -0.003839 0.002135 Fe\n0.750051 0.999957 0.249998 Fe\n0.249945 0.000061 0.750008 Fe\n0.004238 0.003818 0.497867 Fe\n0.749945 0.500036 0.749990 Te\n0.250048 0.499969 0.250006 Te\n0.095749 0.263577 0.635759 O\n0.356161 0.758671 0.366449 O\n0.857741 0.756153 0.865298 O\n0.896406 0.749754 0.359136 O\n0.404150 0.736495 0.864230 O\n0.603694 0.250174 0.140872 O\n0.143923 0.241275 0.133564 O\n0.595824 0.805390 0.145925 O\n0.352425 0.252249 0.365372 O\n0.868818 0.244246 0.862483 O\n0.904278 0.194531 0.354068 O\n0.424579 0.188334 0.859388 O\n0.631079 0.755836 0.637505 O\n0.075325 0.811745 0.640621 O\n0.642162 0.243911 0.634691 O\n0.147677 0.747674 0.134635 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-Li-O-Te",
"density": 4.830150444102335,
"density_atomic": 0.09318500542313939,
"volume": 300.47752718214826,
"volume_molar": 6.462564156812939,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.706953733333333,
"spacegroup": 2
},
{
"id": "jvasp-120832",
"created_at": "2022-09-04T14:38:50.523055Z",
"updated_at": "2022-09-04T14:38:50.523073Z",
"structure_string": "B1 H1 N1\n1.0\n2.768089 0.000000 0.000000\n-1.384045 2.397235 -0.000000\n0.000000 -0.000000 2.913406\nB H N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333336 0.666669 0.000000 H\n0.666668 0.333334 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 2.218239940172152,
"density_atomic": 0.1551777980772648,
"volume": 19.332662514686962,
"volume_molar": 3.880800497634015,
"formula_full": "B1 H1 N1",
"formula_reduced": "BHN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.9917986111111112,
"spacegroup": 187
},
{
"id": "jvasp-123375",
"created_at": "2022-09-04T14:38:50.525608Z",
"updated_at": "2022-09-04T14:38:50.525637Z",
"structure_string": "Ba1 Zr1\n1.0\n1.754326 -3.038578 0.000000\n1.754326 3.038578 0.000000\n0.000000 0.000000 6.082093\nBa Zr\n1 1\ndirect\n0.666668 0.333334 0.250000 Ba\n0.333334 0.666668 0.750000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Zr"
],
"chemical_system": "Ba-Zr",
"density": 5.852864664529876,
"density_atomic": 0.030843684666625498,
"volume": 64.84309581092644,
"volume_molar": 19.524712514378272,
"formula_full": "Ba1 Zr1",
"formula_reduced": "BaZr",
"formula_anonymous": "AB",
"energy_above_hull": 1.6887452350000005,
"spacegroup": 187
},
{
"id": "jvasp-118103",
"created_at": "2022-09-04T14:38:50.528564Z",
"updated_at": "2022-09-04T14:38:50.528591Z",
"structure_string": "Cl2 O1\n1.0\n5.405402 0.154604 -0.241863\n-1.448845 -3.195201 0.734242\n-1.369139 -1.875950 -3.216123\nCl O\n2 1\ndirect\n0.537561 0.759373 0.727669 Cl\n0.096424 0.709666 0.543296 Cl\n0.021560 0.001166 0.148547 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.3083270855524,
"density_atomic": 0.047986905189278325,
"volume": 62.51705518759496,
"volume_molar": 12.549550208012835,
"formula_full": "Cl2 O1",
"formula_reduced": "Cl2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8780238783333334,
"spacegroup": 1
},
{
"id": "jvasp-120421",
"created_at": "2022-09-04T14:38:50.530124Z",
"updated_at": "2022-09-04T14:38:50.530147Z",
"structure_string": "Li7 Co5 O12\n1.0\n6.295973 -0.024855 0.808755\n0.598064 6.267553 0.808755\n-0.008120 -0.007353 4.902482\nLi Co O\n7 5 12\ndirect\n0.081034 0.409719 0.255322 Li\n0.757405 0.757405 0.257112 Li\n0.409719 0.081034 0.255322 Li\n0.590280 0.918965 0.744676 Li\n0.242594 0.242595 0.742886 Li\n0.918965 0.590280 0.744676 Li\n-0.000000 0.000000 0.500000 Li\n0.330037 0.669962 0.499999 Co\n0.499999 0.499999 -0.000001 Co\n0.669962 0.330037 0.499999 Co\n0.835936 0.164063 -0.000001 Co\n0.164063 0.835936 -0.000001 Co\n0.608340 0.608340 0.631619 O\n0.708746 0.064659 0.359573 O\n0.391659 0.391659 0.368379 O\n0.064659 0.708746 0.359573 O\n0.225119 0.558260 0.868077 O\n0.885399 0.885399 0.893556 O\n0.558260 0.225120 0.868077 O\n0.441739 0.774879 0.131921 O\n0.114600 0.114600 0.106442 O\n0.774879 0.441739 0.131921 O\n0.935340 0.291253 0.640425 O\n0.291253 0.935340 0.640425 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.590850558265538,
"density_atomic": 0.12396584703714675,
"volume": 193.60171025821592,
"volume_molar": 4.857903127298801,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5957456875,
"spacegroup": 12
},
{
"id": "jvasp-119315",
"created_at": "2022-09-04T14:38:50.533727Z",
"updated_at": "2022-09-04T14:38:50.533763Z",
"structure_string": "V6 H4 O13\n1.0\n6.255685 -0.002457 -1.145456\n-5.084071 3.644972 1.145456\n0.015225 -0.004897 10.357160\nV H O\n6 4 13\ndirect\n0.644463 0.355536 -0.002130 V\n0.352527 0.647472 0.012369 V\n0.591530 0.408469 0.615465 V\n0.410771 0.589228 0.364832 V\n0.291820 0.708179 0.637014 V\n0.715188 0.284811 0.386493 V\n0.819649 0.180350 0.876849 H\n0.922460 0.077539 0.496268 H\n0.507432 0.492567 0.804666 H\n0.581144 0.418855 0.195122 H\n0.662852 0.337147 0.199828 O\n0.333721 0.666278 0.802739 O\n0.382357 0.617642 0.194343 O\n0.588655 0.411343 0.804413 O\n0.500887 0.499112 0.008123 O\n0.185958 0.814041 0.001190 O\n0.760227 0.239772 0.595986 O\n0.894115 0.105884 0.400126 O\n0.127058 0.872941 0.616437 O\n0.433559 0.566439 0.579223 O\n0.818790 0.181209 0.971882 O\n0.251250 0.748748 0.403695 O\n0.567674 0.432325 0.415312 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 3.640858951125821,
"density_atomic": 0.0974152865289589,
"volume": 236.1025750631317,
"volume_molar": 6.18192582968976,
"formula_full": "V6 H4 O13",
"formula_reduced": "V6H4O13",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 3.662022639130435,
"spacegroup": 8
},
{
"id": "jvasp-116196",
"created_at": "2022-09-04T14:38:50.534965Z",
"updated_at": "2022-09-04T14:38:50.534995Z",
"structure_string": "Nb1 I1 O1\n1.0\n5.544962 -0.119174 0.000000\n0.084339 3.906672 0.000000\n0.000000 0.000000 3.410550\nNb I O\n1 1 1\ndirect\n-0.047756 -0.097146 0.000000 Nb\n0.452245 -0.096615 0.000000 I\n-0.047747 0.402949 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.297614737913032,
"density_atomic": 0.040587270894697464,
"volume": 73.91479973569585,
"volume_molar": 14.837510941852374,
"formula_full": "Nb1 I1 O1",
"formula_reduced": "NbIO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9112930583333327,
"spacegroup": 47
},
{
"id": "jvasp-119062",
"created_at": "2022-09-04T14:38:50.539138Z",
"updated_at": "2022-09-04T14:38:50.539162Z",
"structure_string": "Mg4 Ti8 O16\n1.0\n6.006263 -0.000000 0.000000\n0.000000 6.006263 0.000000\n-0.000000 -0.000000 8.494736\nMg Ti O\n4 8 16\ndirect\n0.250003 0.749997 0.750000 Mg\n0.749997 0.250003 0.250000 Mg\n0.249997 0.249997 0.500000 Mg\n0.750003 0.750003 -0.000000 Mg\n0.999954 0.250005 0.874999 Ti\n0.000046 0.749995 0.374999 Ti\n0.750005 0.500045 0.624999 Ti\n0.249995 0.499954 0.124999 Ti\n0.749995 0.000046 0.625001 Ti\n0.500045 0.750005 0.375001 Ti\n0.499954 0.249995 0.875002 Ti\n0.250005 0.999954 0.125001 Ti\n0.749957 0.484020 0.867015 O\n0.484020 0.749957 0.132985 O\n0.515979 0.250043 0.632986 O\n0.015979 0.249957 0.117015 O\n0.984020 0.750042 0.617015 O\n0.250043 0.515979 0.367015 O\n0.484021 0.249965 0.117004 O\n0.015979 0.749964 0.132996 O\n0.250035 0.984021 0.367004 O\n0.749964 0.015979 0.867004 O\n0.249965 0.484021 0.882997 O\n0.750035 0.515979 0.382996 O\n0.750042 0.984020 0.382985 O\n0.984021 0.250035 0.632997 O\n0.515979 0.750035 0.617004 O\n0.249957 0.015979 0.882986 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.9889143722757856,
"density_atomic": 0.09136912269849187,
"volume": 306.4492595862712,
"volume_molar": 6.591002060808231,
"formula_full": "Mg4 Ti8 O16",
"formula_reduced": "MgTi2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.240115673809523,
"spacegroup": 227
},
{
"id": "jvasp-118088",
"created_at": "2022-09-04T14:38:50.539214Z",
"updated_at": "2022-09-04T14:38:50.539235Z",
"structure_string": "Sc1 N1 Cl1\n1.0\n5.359273 -1.267222 0.000000\n-3.467545 4.290902 0.000000\n0.000000 0.000000 4.369231\nSc N Cl\n1 1 1\ndirect\n0.629702 0.702037 0.000000 Sc\n0.049810 0.280756 0.000000 N\n0.320488 0.017207 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 1.9289859268560297,
"density_atomic": 0.03691113535206613,
"volume": 81.27628617720296,
"volume_molar": 16.315241193638617,
"formula_full": "Sc1 N1 Cl1",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1546875224999997,
"spacegroup": 38
},
{
"id": "jvasp-118090",
"created_at": "2022-09-04T14:38:50.546986Z",
"updated_at": "2022-09-04T14:38:50.547013Z",
"structure_string": "Sc2 N2 Cl2\n1.0\n1.796615 1.037276 9.117538\n-1.796615 1.037276 9.117538\n-0.000000 -2.074552 9.117538\nSc N Cl\n2 2 2\ndirect\n0.115970 0.115970 0.115969 Sc\n0.884033 0.884033 0.884028 Sc\n0.196429 0.196429 0.196428 N\n0.803573 0.803573 0.803569 N\n0.387090 0.387090 0.387088 Cl\n0.612913 0.612913 0.612910 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 3.0757053102742478,
"density_atomic": 0.05885360459608707,
"volume": 101.94787628010323,
"volume_molar": 10.232407685697448,
"formula_full": "Sc2 N2 Cl2",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8507108558333325,
"spacegroup": 166
},
{
"id": "jvasp-110805",
"created_at": "2022-09-04T14:38:50.547452Z",
"updated_at": "2022-09-04T14:38:50.547473Z",
"structure_string": "Ho1 Lu1 Pd2\n1.0\n4.222293 -0.000000 2.437742\n1.407431 3.980816 2.437742\n-0.000000 -0.000000 4.875484\nHo Lu Pd\n1 1 2\ndirect\n0.499999 0.500001 0.499999 Ho\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750001 0.749999 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Lu",
"Pd"
],
"chemical_system": "Ho-Lu-Pd",
"density": 11.20030060651574,
"density_atomic": 0.04881145845557188,
"volume": 81.94797136907503,
"volume_molar": 12.337555464525495,
"formula_full": "Ho1 Lu1 Pd2",
"formula_reduced": "HoLuPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2679331791666666,
"spacegroup": 225
},
{
"id": "jvasp-115805",
"created_at": "2022-09-04T14:38:50.548167Z",
"updated_at": "2022-09-04T14:38:50.548188Z",
"structure_string": "Ca1 Si1 N2\n1.0\n1.493659 0.862365 5.297569\n-1.493659 0.862365 5.297569\n0.000000 -1.724729 5.297569\nCa Si N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.500002 Si\n0.770275 0.770275 0.770279 N\n0.229723 0.229723 0.229725 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Si",
"N"
],
"chemical_system": "Ca-N-Si",
"density": 3.900763189515235,
"density_atomic": 0.09769890693838237,
"volume": 40.942116195043575,
"volume_molar": 6.1639796684707,
"formula_full": "Ca1 Si1 N2",
"formula_reduced": "CaSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.00688638,
"spacegroup": 166
}
]
}