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=nelements&page=4396",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4394",
"results": [
{
"id": "jvasp-55731",
"created_at": "2022-09-04T14:38:35.997675Z",
"updated_at": "2022-09-04T14:38:35.997700Z",
"structure_string": "Tl2 H8 N2 Cl8\n1.0\n6.462371 0.000000 -2.637082\n-1.076106 6.372145 -2.637081\n0.013103 0.015501 9.268920\nTl H N Cl\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.749999 0.500000 Tl\n0.698988 0.371813 0.575328 H\n0.453515 0.448989 0.075328 H\n0.621813 0.626339 0.075328 H\n0.373660 0.546484 0.924672 H\n0.551010 0.378186 0.924672 H\n0.796484 0.301011 0.424672 H\n0.628186 0.123661 0.424672 H\n0.876339 0.203515 0.575328 H\n0.500000 0.500000 -0.000000 N\n0.749999 0.250000 0.500000 N\n0.501407 0.596866 0.681610 Cl\n0.748592 0.153133 0.818389 Cl\n0.069796 0.665256 0.818389 Cl\n0.915256 0.498592 0.318389 Cl\n0.846866 0.930202 0.181610 Cl\n0.334743 0.251407 0.181611 Cl\n0.180203 0.084743 0.681611 Cl\n0.403133 0.819796 0.318389 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Tl",
"density": 3.1648408848834446,
"density_atomic": 0.05232660832526201,
"volume": 382.21472096337817,
"volume_molar": 11.508754250927932,
"formula_full": "Tl2 H8 N2 Cl8",
"formula_reduced": "TlH4NCl4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.759445212,
"spacegroup": 88
},
{
"id": "jvasp-119330",
"created_at": "2022-09-04T14:38:47.964984Z",
"updated_at": "2022-09-04T14:38:47.965008Z",
"structure_string": "Li2 Ti4 V1 O8\n1.0\n5.105781 -0.001087 2.947798\n1.783838 4.784027 2.947798\n0.019382 0.013456 5.871954\nLi Ti V O\n2 4 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n-0.000000 0.500001 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 V\n0.251899 0.746876 0.752642 O\n0.740195 0.740196 0.745348 O\n0.249807 0.249808 0.757655 O\n0.746875 0.251900 0.752642 O\n0.253125 0.748101 0.247358 O\n0.750193 0.750193 0.242345 O\n0.259804 0.259805 0.254652 O\n0.748100 0.253125 0.247358 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.461284953132835,
"density_atomic": 0.10486891414998392,
"volume": 143.03571388702417,
"volume_molar": 5.742541351564976,
"formula_full": "Li2 Ti4 V1 O8",
"formula_reduced": "Li2Ti4VO8",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.152535035555556,
"spacegroup": 12
},
{
"id": "jvasp-117123",
"created_at": "2022-09-04T14:38:48.222838Z",
"updated_at": "2022-09-04T14:38:48.222866Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.880388 0.033331 -0.661065\n-1.873085 5.242385 -1.364040\n0.034026 0.002561 6.385034\nLi Mn Co O\n6 2 2 10\ndirect\n0.813042 0.597976 0.106981 Li\n0.605900 0.202978 0.696884 Li\n0.000000 -0.000000 0.500000 Li\n0.186961 0.402025 0.893018 Li\n0.394102 0.797023 0.303115 Li\n0.000001 0.500000 0.500000 Li\n0.599187 0.699234 0.699174 Mn\n0.400815 0.300767 0.300826 Mn\n0.800221 0.100693 0.101086 Co\n0.199782 0.899307 0.898913 Co\n0.103811 0.423525 0.196982 O\n0.896191 0.576475 0.803017 O\n0.684736 0.152446 0.378261 O\n0.100313 0.968480 0.189891 O\n0.324589 0.362859 0.592676 O\n0.499608 0.767791 0.986199 O\n0.675414 0.637142 0.407324 O\n0.500395 0.232209 0.013800 O\n0.899689 0.031521 0.810108 O\n0.315267 0.847554 0.621738 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.35037182296604,
"density_atomic": 0.1220289727950379,
"volume": 163.89550400946476,
"volume_molar": 4.935008975380705,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.395280564137931,
"spacegroup": 2
},
{
"id": "jvasp-111315",
"created_at": "2022-09-04T14:38:47.987993Z",
"updated_at": "2022-09-04T14:38:47.988004Z",
"structure_string": "Ba2 Lu1 U1 O6\n1.0\n5.316068 0.000000 3.069233\n1.772023 5.012037 3.069233\n-0.000000 -0.000000 6.138467\nBa Lu U O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 U\n0.751989 0.751990 0.248010 O\n0.248011 0.248011 0.751989 O\n0.751989 0.248011 0.751989 O\n0.248010 0.751990 0.248010 O\n0.248010 0.751990 0.751989 O\n0.751989 0.248011 0.248010 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Lu",
"U",
"O"
],
"chemical_system": "Ba-Lu-O-U",
"density": 7.956177600439137,
"density_atomic": 0.061141385886142055,
"volume": 163.55533743742862,
"volume_molar": 9.849532640974926,
"formula_full": "Ba2 Lu1 U1 O6",
"formula_reduced": "Ba2LuUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.191490469,
"spacegroup": 225
},
{
"id": "jvasp-57456",
"created_at": "2022-09-04T14:38:34.260368Z",
"updated_at": "2022-09-04T14:38:34.260393Z",
"structure_string": "K3 Nb3 B2 O12\n1.0\n4.450485 -7.708465 -0.000000\n4.450485 7.708465 -0.000000\n0.000000 0.000000 3.991315\nK Nb B O\n3 3 2 12\ndirect\n0.403665 -0.000000 0.502403 K\n-0.000000 0.403665 0.502403 K\n0.596334 0.596334 0.502403 K\n-0.000001 0.752429 0.986188 Nb\n0.247571 0.247571 0.986188 Nb\n0.752429 -0.000001 0.986188 Nb\n0.333332 0.666667 0.017358 B\n0.666667 0.333332 0.017358 B\n0.263338 0.263338 0.513913 O\n0.505359 0.318090 0.017550 O\n0.819002 0.819002 0.012856 O\n0.180997 -0.000000 0.012856 O\n0.318090 0.505359 0.017550 O\n0.187267 0.681909 0.017550 O\n-0.000000 0.180997 0.012856 O\n0.494640 0.812732 0.017550 O\n0.812732 0.494640 0.017550 O\n-0.000001 0.736662 0.513913 O\n0.681909 0.187267 0.017550 O\n0.736662 -0.000001 0.513913 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Nb",
"B",
"O"
],
"chemical_system": "B-K-Nb-O",
"density": 3.6965225108277764,
"density_atomic": 0.07303125255821694,
"volume": 273.8553605397495,
"volume_molar": 8.245977645254607,
"formula_full": "K3 Nb3 B2 O12",
"formula_reduced": "K3Nb3(BO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 3.128308968333333,
"spacegroup": 157
},
{
"id": "jvasp-120616",
"created_at": "2022-09-04T14:38:47.861111Z",
"updated_at": "2022-09-04T14:38:47.861137Z",
"structure_string": "Li2 Yb2 W4 O16\n1.0\n5.965170 0.000000 0.000000\n-0.000000 4.519126 2.096212\n-0.000000 0.023245 10.989982\nYb Li W O\n2 2 4 16\ndirect\n0.667351 0.000001 0.750000 Yb\n0.332649 0.000000 0.250000 Yb\n0.274540 0.500001 0.750000 Li\n0.725460 0.500001 0.250000 Li\n0.179160 0.242368 0.510942 W\n0.820840 0.757634 0.489057 W\n0.179160 0.757634 0.989057 W\n0.820840 0.242368 0.010942 W\n0.107994 0.657947 0.402868 O\n0.892006 0.342055 0.597132 O\n0.909658 0.837631 0.108126 O\n0.090342 0.162371 0.891873 O\n0.909658 0.162371 0.391874 O\n0.090342 0.837631 0.608126 O\n0.643719 0.276312 0.135956 O\n0.375796 0.772122 0.110194 O\n0.643719 0.723689 0.364043 O\n0.356281 0.276313 0.635956 O\n0.892006 0.657948 0.902868 O\n0.624204 0.227880 0.889805 O\n0.375796 0.227880 0.389806 O\n0.624204 0.772122 0.610194 O\n0.356281 0.723690 0.864043 O\n0.107994 0.342054 0.097132 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Yb",
"Li",
"W",
"O"
],
"chemical_system": "Li-O-W-Yb",
"density": 7.581530710870839,
"density_atomic": 0.08108924947256635,
"volume": 295.97018292936036,
"volume_molar": 7.426558759848156,
"formula_full": "Li2 Yb2 W4 O16",
"formula_reduced": "LiYb(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.355906558333333,
"spacegroup": 13
},
{
"id": "jvasp-112786",
"created_at": "2022-09-04T14:38:44.180413Z",
"updated_at": "2022-09-04T14:38:44.180439Z",
"structure_string": "Co4 As2 Cl2 O8\n1.0\n6.653341 -0.000000 0.000000\n0.000000 4.936594 0.120810\n-0.000000 -0.008249 6.791322\nCo As Cl O\n4 2 2 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.339662 0.735964 Co\n0.500000 -0.000000 -0.000000 Co\n0.750000 0.660337 0.264036 Co\n0.750000 0.506278 0.756151 As\n0.250000 0.493721 0.243849 As\n0.250000 0.815656 0.766289 Cl\n0.750000 0.184343 0.233710 Cl\n0.043938 0.708482 0.209728 O\n0.250000 0.307788 0.457098 O\n0.456062 0.708482 0.209728 O\n0.956062 0.291517 0.790272 O\n0.750000 0.692211 0.542901 O\n0.250000 0.244776 0.058950 O\n0.543938 0.291517 0.790272 O\n0.750000 0.755223 0.941050 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Co",
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-Co-O",
"density": 4.350931357081857,
"density_atomic": 0.07172747741083638,
"volume": 223.06653708670322,
"volume_molar": 8.395863032386794,
"formula_full": "Co4 As2 Cl2 O8",
"formula_reduced": "Co2AsClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5920714521875,
"spacegroup": 11
},
{
"id": "jvasp-117034",
"created_at": "2022-09-04T14:38:47.867978Z",
"updated_at": "2022-09-04T14:38:47.868003Z",
"structure_string": "Ca1 Co3 Si4 O12\n1.0\n5.082729 -0.031816 1.117593\n1.318214 6.479087 0.599072\n-0.049940 0.041874 6.638609\nCa Co Si O\n1 3 4 12\ndirect\n0.750002 0.700396 0.299605 Ca\n0.749998 0.092791 0.907207 Co\n0.250003 0.903204 0.096796 Co\n0.250001 0.242615 0.757388 Co\n0.741538 0.613653 0.795646 Si\n0.758458 0.204349 0.386347 Si\n0.266286 0.384404 0.201343 Si\n0.233712 0.798660 0.615595 Si\n0.006030 0.331444 0.380064 O\n0.493964 0.619940 0.668558 O\n0.329726 0.892672 0.387370 O\n0.170277 0.612628 0.107329 O\n0.632567 0.134373 0.621467 O\n0.852311 0.030041 0.215307 O\n0.143501 0.962079 0.799507 O\n0.356498 0.200493 0.037921 O\n0.521257 0.389635 0.311908 O\n0.647693 0.784685 0.969960 O\n0.867433 0.378534 0.865617 O\n0.978740 0.688097 0.610362 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.948524662550863,
"density_atomic": 0.0912433088881039,
"volume": 219.19415509719153,
"volume_molar": 6.600090278822794,
"formula_full": "Ca1 Co3 Si4 O12",
"formula_reduced": "CaCo3(SiO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.1004454759999995,
"spacegroup": 5
},
{
"id": "jvasp-113258",
"created_at": "2022-09-04T14:38:47.868572Z",
"updated_at": "2022-09-04T14:38:47.868597Z",
"structure_string": "Li16 V2 O10 F2\n1.0\n5.571655 0.000000 0.000000\n-2.785827 4.825195 0.000000\n-0.000000 -0.000000 10.760505\nLi V O F\n16 2 10 2\ndirect\n0.976027 0.682685 0.771452 Li\n0.706660 0.023973 0.771452 Li\n0.666667 0.333333 0.429995 Li\n0.666667 0.333333 0.915608 Li\n0.383952 0.016835 0.621735 Li\n0.682686 0.706658 0.271452 Li\n0.293340 0.976026 0.271452 Li\n0.632884 0.616048 0.621735 Li\n0.616048 0.983164 0.121735 Li\n0.317314 0.293341 0.771452 Li\n0.333333 0.666666 0.929995 Li\n0.333333 0.666666 0.415608 Li\n0.023973 0.317314 0.271452 Li\n0.983166 0.367115 0.621735 Li\n0.016834 0.632884 0.121735 Li\n0.367116 0.383951 0.121735 Li\n0.000000 0.000000 0.985493 V\n0.000000 0.000000 0.485493 V\n0.671282 0.998620 0.947808 O\n0.666667 0.333333 0.710882 O\n0.672661 0.671281 0.447809 O\n0.328718 0.001379 0.447809 O\n0.327339 0.328718 0.947808 O\n0.998621 0.327338 0.447809 O\n0.000000 0.000000 0.675156 O\n0.333333 0.666666 0.210882 O\n0.001379 0.672661 0.947808 O\n0.000000 0.000000 0.175157 O\n0.333333 0.666666 0.705516 F\n0.666667 0.333333 0.205516 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.3587667730263,
"density_atomic": 0.10370256898515579,
"volume": 289.2888796640541,
"volume_molar": 5.807127845465451,
"formula_full": "Li16 V2 O10 F2",
"formula_reduced": "Li8VO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.6560814655000002,
"spacegroup": 173
},
{
"id": "jvasp-116891",
"created_at": "2022-09-04T14:38:45.293209Z",
"updated_at": "2022-09-04T14:38:45.293229Z",
"structure_string": "Li4 Ti2 Fe6 O16\n1.0\n5.652902 -0.000000 0.000000\n-2.826451 4.895557 0.000000\n-0.000000 -0.000000 9.344248\nLi Ti Fe O\n4 2 6 16\ndirect\n0.333334 0.666667 0.893984 Li\n0.000000 0.000000 0.995946 Li\n0.000000 0.000000 0.495946 Li\n0.666667 0.333334 0.393984 Li\n0.333334 0.666667 0.496101 Ti\n0.666667 0.333334 0.996101 Ti\n0.826420 0.173580 0.715399 Fe\n0.826420 0.652840 0.715399 Fe\n0.347160 0.173580 0.715399 Fe\n0.173580 0.347161 0.215399 Fe\n0.173581 0.826420 0.215399 Fe\n0.652840 0.826420 0.215399 Fe\n0.329940 0.164969 0.100528 O\n0.835031 0.670061 0.100528 O\n0.666667 0.333334 0.602082 O\n0.517462 0.034924 0.837685 O\n0.517462 0.482538 0.837685 O\n0.670060 0.835031 0.600528 O\n0.482538 0.517462 0.337685 O\n0.034924 0.517462 0.337685 O\n0.164969 0.329940 0.600528 O\n0.000000 0.000000 0.806087 O\n0.000000 0.000000 0.306087 O\n0.333334 0.666667 0.102082 O\n0.965076 0.482538 0.837685 O\n0.164970 0.835031 0.600528 O\n0.482538 0.965076 0.337685 O\n0.835030 0.164969 0.100528 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.588480624022659,
"density_atomic": 0.10827797051360616,
"volume": 258.59369054651364,
"volume_molar": 5.561741443282094,
"formula_full": "Li4 Ti2 Fe6 O16",
"formula_reduced": "Li2TiFe3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.926285202380953,
"spacegroup": 186
},
{
"id": "jvasp-54593",
"created_at": "2022-09-04T14:38:36.788773Z",
"updated_at": "2022-09-04T14:38:36.788800Z",
"structure_string": "K8 Rb4 Bi4 Se12\n1.0\n9.863491 0.000000 0.000000\n0.000000 9.863491 0.000000\n-0.000000 -0.000000 9.863491\nK Rb Bi Se\n8 4 4 12\ndirect\n0.178953 0.678953 0.821047 K\n0.678953 0.821047 0.178953 K\n0.821047 0.178953 0.678953 K\n0.321047 0.321047 0.321047 K\n0.685693 0.185693 0.314307 K\n0.185693 0.314307 0.685693 K\n0.314307 0.685693 0.185693 K\n0.814307 0.814307 0.814307 K\n0.928810 0.428810 0.071190 Rb\n0.428810 0.071190 0.928810 Rb\n0.071190 0.928810 0.428810 Rb\n0.571190 0.571190 0.571190 Rb\n0.035814 0.035814 0.035814 Bi\n0.535814 0.464186 0.964186 Bi\n0.964186 0.535814 0.464186 Bi\n0.464186 0.964186 0.535814 Bi\n0.001655 0.773066 0.108013 Se\n0.891987 0.501655 0.726934 Se\n0.273066 0.391987 0.998345 Se\n0.501655 0.726934 0.891987 Se\n0.391987 0.998345 0.273066 Se\n0.773066 0.108013 0.001655 Se\n0.998345 0.273066 0.391987 Se\n0.108013 0.001655 0.773066 Se\n0.726934 0.891987 0.501655 Se\n0.498345 0.226934 0.608013 Se\n0.608013 0.498345 0.226934 Se\n0.226934 0.608013 0.498345 Se\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Rb",
"Bi",
"Se"
],
"chemical_system": "Bi-K-Rb-Se",
"density": 4.218990150711366,
"density_atomic": 0.029178709041850943,
"volume": 959.6037974072011,
"volume_molar": 20.638818363631028,
"formula_full": "K8 Rb4 Bi4 Se12",
"formula_reduced": "K2RbBiSe3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.2234329142857141,
"spacegroup": 198
},
{
"id": "jvasp-102436",
"created_at": "2022-09-04T14:38:45.365272Z",
"updated_at": "2022-09-04T14:38:45.365290Z",
"structure_string": "Li2 Mn1 Co1 O4\n1.0\n3.680911 0.120262 -3.463191\n-0.607049 3.632500 -3.463191\n-0.098506 -0.120262 5.053028\nLi Mn Co O\n2 1 1 4\ndirect\n0.249999 0.750000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.749999 0.250000 0.500000 Co\n0.519949 0.019950 0.500000 O\n0.227164 0.227164 -0.000000 O\n0.980049 0.480050 0.500000 O\n0.772836 0.772836 -0.000001 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.902503679084118,
"density_atomic": 0.12317470835409176,
"volume": 64.94839814844381,
"volume_molar": 4.889104947330651,
"formula_full": "Li2 Mn1 Co1 O4",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4887477676724137,
"spacegroup": 119
}
]
}