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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=46",
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"results": [
{
"id": "jvasp-42755",
"created_at": "2022-09-04T14:37:30.781911Z",
"updated_at": "2022-09-04T14:37:30.781925Z",
"structure_string": "Fe6 O10 F2\n1.0\n5.227634 0.026755 -0.031838\n1.567495 4.974861 -0.032461\n2.110959 1.535684 6.280586\nFe O F\n6 10 2\ndirect\n0.332255 0.350247 0.157424 Fe\n0.685522 0.638253 0.333656 Fe\n0.341211 0.350127 0.666647 Fe\n0.668257 0.669932 0.838589 Fe\n0.976726 0.994433 0.493887 Fe\n0.994184 0.002988 0.011262 Fe\n0.697135 0.308012 0.999348 O\n0.301163 0.702399 0.000451 O\n0.976621 0.351925 0.333455 O\n0.635743 0.034174 0.668419 O\n0.891791 0.892921 0.299239 O\n0.438068 0.432101 0.366945 O\n0.233008 0.235773 0.963004 O\n0.769957 0.765699 0.042029 O\n0.026057 0.639065 0.666193 O\n0.567040 0.569587 0.629013 O\n0.362871 0.963553 0.332119 F\n0.102381 0.098793 0.698324 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.410870866959443,
"density_atomic": 0.11003068713192987,
"volume": 163.59072608914545,
"volume_molar": 5.473146552996878,
"formula_full": "Fe6 O10 F2",
"formula_reduced": "Fe3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.7496193647222222,
"spacegroup": 1
},
{
"id": "jvasp-58032",
"created_at": "2022-09-04T14:37:31.543125Z",
"updated_at": "2022-09-04T14:37:31.543152Z",
"structure_string": "Mg4 Cu4 O8\n1.0\n3.129482 0.170523 0.024566\n-0.785193 7.976847 0.284457\n-1.443005 -2.588947 7.522462\nMg Cu O\n4 4 8\ndirect\n0.627502 0.752676 0.140833 Mg\n0.533801 0.226294 0.862554 Mg\n0.964978 0.828298 0.780250 Mg\n0.072790 0.091849 0.181483 Mg\n0.368195 0.424971 0.252054 Cu\n0.197377 0.822606 0.477537 Cu\n0.814346 0.146769 0.516519 Cu\n0.216530 0.478319 0.653741 Cu\n0.736443 0.346154 0.693510 O\n0.633081 0.236399 0.318861 O\n0.395492 0.705646 0.649094 O\n0.185881 0.642874 0.258137 O\n0.111248 0.245942 0.020588 O\n0.909838 0.955808 0.344271 O\n0.088358 0.847483 0.024741 O\n0.115570 0.025364 0.683677 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.160000212285546,
"density_atomic": 0.08361167677766976,
"volume": 191.36083160424232,
"volume_molar": 7.202511649196274,
"formula_full": "Mg4 Cu4 O8",
"formula_reduced": "MgCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4739066249999999,
"spacegroup": 1
},
{
"id": "jvasp-30658",
"created_at": "2022-09-04T14:37:32.639967Z",
"updated_at": "2022-09-04T14:37:32.639982Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n3.119821 0.113964 0.916304\n1.568630 6.368003 2.543857\n0.362201 1.293275 10.262687\nMg Sb O\n1 4 8\ndirect\n0.241865 0.144823 0.198442 Mg\n0.601024 0.266502 0.477640 Sb\n0.136636 0.719570 0.132625 Sb\n0.861824 0.371716 0.892745 Sb\n0.397546 0.773154 0.556964 Sb\n0.810112 0.675207 0.720711 O\n0.521076 0.281191 0.802491 O\n0.496703 0.755971 0.249840 O\n0.218888 0.376854 0.288704 O\n0.149600 0.049418 0.601273 O\n0.877173 0.103600 0.088081 O\n0.880507 0.010554 0.406661 O\n0.185212 0.462069 -0.007383 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.539782580161677,
"density_atomic": 0.06783517700869762,
"volume": 191.64098294212718,
"volume_molar": 8.877607497401915,
"formula_full": "Mg1 Sb4 O8",
"formula_reduced": "Mg(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.227167803846154,
"spacegroup": 1
},
{
"id": "jvasp-53070",
"created_at": "2022-09-04T14:37:32.374111Z",
"updated_at": "2022-09-04T14:37:32.374135Z",
"structure_string": "Ga11 N1 O15\n1.0\n5.863750 -0.001731 0.013416\n0.021676 5.962119 0.001835\n0.249609 0.022195 8.266133\nGa N O\n11 1 15\ndirect\n0.999648 0.256040 0.130259 Ga\n0.500213 0.237882 0.364119 Ga\n0.255633 0.758159 0.249950 Ga\n0.521656 0.496430 0.985391 Ga\n0.251387 0.248395 0.750257 Ga\n0.021554 0.745126 0.867211 Ga\n0.976716 0.007729 0.515388 Ga\n0.743755 0.757296 0.250774 Ga\n0.476799 0.751324 0.633789 Ga\n0.977100 0.494305 0.514346 Ga\n0.524495 0.008772 0.995072 Ga\n0.500141 0.976122 0.234717 N\n0.484803 0.490529 0.755416 O\n0.749582 0.744583 0.000945 O\n0.271238 0.739064 0.007636 O\n0.015966 0.488526 0.741821 O\n0.499787 0.512747 0.240780 O\n0.741459 0.256732 0.008162 O\n0.754420 0.750882 0.499236 O\n0.764945 0.251920 0.486054 O\n0.484570 0.006224 0.762900 O\n0.017693 0.005769 0.743589 O\n0.000013 0.985744 0.259412 O\n0.220695 0.749245 0.492619 O\n0.998932 0.526563 0.260691 O\n0.268303 0.254198 0.995284 O\n0.228506 0.249689 0.504190 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 5.866854045964923,
"density_atomic": 0.09343620256839238,
"volume": 288.9672231728044,
"volume_molar": 6.445189973973934,
"formula_full": "Ga11 N1 O15",
"formula_reduced": "Ga11NO15",
"formula_anonymous": "AB11C15",
"energy_above_hull": 1.662369678703704,
"spacegroup": 1
},
{
"id": "jvasp-29810",
"created_at": "2022-09-04T14:37:32.543078Z",
"updated_at": "2022-09-04T14:37:32.543086Z",
"structure_string": "Al8 H24 O24\n1.0\n8.794405 -0.087471 0.110378\n-0.051370 5.066547 0.029346\n0.114734 0.103252 9.349546\nAl H O\n8 24 24\ndirect\n0.332047 0.007640 0.487696 Al\n0.668191 0.011289 0.506502 Al\n0.839188 0.521484 0.507247 Al\n0.168941 0.503551 0.489216 Al\n0.828902 0.966659 0.009376 Al\n0.158363 0.017713 0.987647 Al\n0.329771 0.522404 0.984753 Al\n0.662813 0.459956 0.006411 Al\n0.459358 0.344693 0.203406 H\n0.541523 0.822311 0.884031 H\n0.696384 0.168596 0.795042 H\n0.401780 0.965151 0.100890 H\n0.389830 0.149424 0.819143 H\n0.789129 0.283730 0.219692 H\n0.107873 0.650137 0.814553 H\n0.013509 0.849176 0.209605 H\n0.607578 0.845913 0.182463 H\n0.080705 0.423602 0.122399 H\n0.964280 0.320729 0.885839 H\n0.811724 0.673551 0.798137 H\n0.264185 0.297919 0.278180 H\n0.613252 0.649807 0.694164 H\n0.988770 0.185420 0.380353 H\n0.484919 0.696215 0.376079 H\n0.482637 0.337267 0.615506 H\n0.199498 0.196234 0.699043 H\n0.029613 0.843317 0.611410 H\n0.596789 0.401238 0.369726 H\n0.304492 0.694963 0.697478 H\n0.891594 0.147546 0.679614 H\n0.233761 0.802749 0.274176 H\n0.791527 0.798970 0.298518 H\n0.191121 0.718791 0.872056 O\n0.984148 0.129945 0.884847 O\n0.800828 0.272760 0.114997 O\n0.823875 0.647465 0.901405 O\n0.175901 0.334638 0.097633 O\n0.315076 0.840831 0.092809 O\n0.670381 0.140967 0.897579 O\n0.514119 0.631704 0.883677 O\n0.478695 0.346349 0.099886 O\n0.004658 0.854482 0.105581 O\n0.687318 0.705394 0.618391 O\n0.822141 0.836544 0.397257 O\n0.192861 0.818798 0.373419 O\n0.808116 0.210856 0.621220 O\n0.323289 0.679663 0.593637 O\n0.693587 0.326548 0.394821 O\n0.177847 0.177596 0.596409 O\n0.490843 0.146031 0.603636 O\n0.507728 0.885290 0.380698 O\n-0.002123 0.377268 0.390909 O\n0.010589 0.651293 0.609539 O\n0.301817 0.221795 0.870094 O\n0.318464 0.324467 0.369343 O\n0.688204 0.764130 0.125238 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.4881917534454896,
"density_atomic": 0.13446782269762664,
"volume": 416.4565088997191,
"volume_molar": 4.478499494664823,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4498619,
"spacegroup": 1
},
{
"id": "jvasp-29834",
"created_at": "2022-09-04T14:37:33.665045Z",
"updated_at": "2022-09-04T14:37:33.665069Z",
"structure_string": "Al4 H12 O12\n1.0\n-4.196501 2.715938 4.463244\n4.729913 -2.043882 5.073098\n4.093071 2.126203 -5.712395\nAl H O\n4 12 12\ndirect\n0.458738 0.833258 0.286790 Al\n0.544411 0.154964 0.704724 Al\n0.959854 0.662412 0.617656 Al\n0.037083 0.329349 0.376376 Al\n0.829939 0.599230 0.850798 H\n0.164641 0.383494 0.139677 H\n0.503576 0.932098 0.014917 H\n0.683942 0.834873 0.736785 H\n0.309174 0.147009 0.240577 H\n0.404595 0.181480 0.949197 H\n0.176557 0.694878 0.452958 H\n0.361775 0.482954 0.048143 H\n0.624237 0.511689 0.937008 H\n0.940818 0.941529 0.200001 H\n0.978363 0.964972 0.528367 H\n0.819547 0.290492 0.539793 H\n0.579752 0.169299 0.992719 O\n0.417913 0.802995 0.996149 O\n0.495214 0.869906 0.581652 O\n0.500279 0.117584 0.403933 O\n0.992554 0.397107 0.609658 O\n0.507612 0.423507 0.729757 O\n0.479913 0.558819 0.258443 O\n0.081526 0.068553 0.392628 O\n0.922209 0.920800 0.606694 O\n0.008471 0.271519 0.082588 O\n0.000096 0.589991 0.380041 O\n0.980887 0.716998 0.909503 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.4876825540961756,
"density_atomic": 0.13444030434912058,
"volume": 208.27087632357893,
"volume_molar": 4.4794161908183705,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.448640471428572,
"spacegroup": 1
},
{
"id": "jvasp-52782",
"created_at": "2022-09-04T14:37:36.956563Z",
"updated_at": "2022-09-04T14:37:36.956583Z",
"structure_string": "Sr1 Fe1 Mo1 O5\n1.0\n4.621724 0.145252 -0.174955\n-0.125061 4.600731 0.007000\n-2.210961 -2.245343 5.266206\nSr Fe Mo O\n1 1 1 5\ndirect\n0.304973 0.244559 0.497969 Sr\n0.927758 0.932065 0.870196 Fe\n0.550591 0.563002 0.117125 Mo\n0.869344 0.859200 0.144670 O\n0.671541 0.243906 0.906100 O\n0.682505 0.765063 0.488240 O\n0.213836 0.638539 0.857359 O\n0.276548 0.250766 0.112538 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O-Sr",
"density": 4.807896788855584,
"density_atomic": 0.0725201000170222,
"volume": 110.31424388717349,
"volume_molar": 8.304098806519104,
"formula_full": "Sr1 Fe1 Mo1 O5",
"formula_reduced": "SrFeMoO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.7942581512499998,
"spacegroup": 1
},
{
"id": "jvasp-24251",
"created_at": "2022-09-04T14:37:40.359466Z",
"updated_at": "2022-09-04T14:37:40.359487Z",
"structure_string": "Na9 Zr1 P4 Cl1 O16\n1.0\n5.387292 -0.018987 0.008012\n-0.082145 9.072621 -0.002306\n-0.278110 -3.300230 8.538699\nNa Zr P Cl O\n9 1 4 1 16\ndirect\n0.532674 0.640657 0.407207 Na\n0.439636 0.979606 0.374762 Na\n0.462092 0.560831 0.024876 Na\n0.055175 0.834057 0.573738 Na\n0.455981 0.357797 0.594706 Na\n0.933714 0.183483 0.406919 Na\n0.951164 0.560772 0.817931 Na\n0.041135 0.432749 0.147493 Na\n0.529582 0.099934 0.783575 Na\n0.006749 0.000693 0.997411 Zr\n0.040313 0.207023 0.734472 P\n0.476990 0.767923 0.798879 P\n0.528379 0.246097 0.182669 P\n0.972260 0.785496 0.234254 P\n0.012782 0.504579 0.491170 Cl\n0.532104 0.596821 0.774576 O\n0.335992 0.136049 0.057389 O\n0.171302 0.348288 0.863081 O\n0.212285 0.134049 0.594378 O\n0.788674 0.250875 0.680025 O\n0.472863 0.815100 0.654347 O\n0.869146 0.650679 0.088041 O\n0.790815 0.835567 0.369651 O\n0.676722 0.877067 0.918643 O\n0.213361 0.803290 0.874250 O\n0.025889 0.942577 0.196485 O\n0.513443 0.213320 0.334871 O\n0.797543 0.201679 0.117643 O\n0.985953 0.068791 0.799196 O\n0.225226 0.739183 0.286142 O\n0.483036 0.415958 0.196209 O\n",
"nsites": 31,
"nelements": 5,
"elements": [
"Na",
"Zr",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O-P-Zr",
"density": 2.8389862609875114,
"density_atomic": 0.07428479760338014,
"volume": 417.3128419291732,
"volume_molar": 8.106827984042294,
"formula_full": "Na9 Zr1 P4 Cl1 O16",
"formula_reduced": "Na9ZrP4ClO16",
"formula_anonymous": "ABC4D9E16",
"energy_above_hull": 1.936240244112903,
"spacegroup": 1
},
{
"id": "jvasp-25300",
"created_at": "2022-09-04T14:37:45.632896Z",
"updated_at": "2022-09-04T14:37:45.632904Z",
"structure_string": "Si8\n1.0\n4.298685 3.439373 0.356022\n-3.058336 1.281238 2.203296\n0.285980 -5.799488 7.168437\nSi\n8\ndirect\n0.825082 0.085473 0.087843 Si\n0.205928 0.010261 0.058364 Si\n0.010286 0.568442 0.243614 Si\n0.363078 0.119073 0.627344 Si\n0.068239 0.851859 0.801345 Si\n0.841727 0.296583 0.681763 Si\n0.135929 0.560772 0.511535 Si\n0.564566 0.500157 -0.005196 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.094116982549249,
"density_atomic": 0.04490241313551888,
"volume": 178.16414400391787,
"volume_molar": 13.411619419706293,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.46502,
"spacegroup": 1
},
{
"id": "jvasp-27256",
"created_at": "2022-09-04T14:37:48.714991Z",
"updated_at": "2022-09-04T14:37:48.715011Z",
"structure_string": "Fe2 Te2 Cl14\n1.0\n6.422347 0.042119 -0.035043\n1.019084 8.225891 -0.024348\n2.158822 0.572407 9.535276\nFe Te Cl\n2 2 14\ndirect\n0.497642 0.116658 0.120268 Fe\n0.759678 0.542698 0.566994 Fe\n0.945643 0.500326 0.090593 Te\n0.191383 0.929638 0.548702 Te\n0.318980 0.176871 0.576273 Cl\n0.731038 0.336503 0.715274 Cl\n0.659975 0.485804 0.373914 Cl\n0.552319 0.757707 0.663526 Cl\n0.098733 0.598564 0.508929 Cl\n0.645937 0.622980 0.001361 Cl\n0.059196 0.748151 0.134196 Cl\n0.975018 0.918141 0.775746 Cl\n0.401074 0.047259 0.938880 Cl\n0.489650 0.905835 0.277854 Cl\n0.290453 0.329063 0.220002 Cl\n0.837433 0.171428 0.066349 Cl\n0.178759 0.475475 0.869911 Cl\n0.914086 0.046002 0.433635 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Te",
"Cl"
],
"chemical_system": "Cl-Fe-Te",
"density": 2.8439726917923727,
"density_atomic": 0.035712585923922145,
"volume": 504.02398858332646,
"volume_molar": 16.86279669814125,
"formula_full": "Fe2 Te2 Cl14",
"formula_reduced": "FeTeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.5890190821296295,
"spacegroup": 1
},
{
"id": "jvasp-36689",
"created_at": "2022-09-04T14:37:50.381024Z",
"updated_at": "2022-09-04T14:37:50.381034Z",
"structure_string": "Sr2 W2 N6\n1.0\n3.692485 -0.003694 0.015433\n-0.110660 6.355491 0.043410\n-0.765225 -2.301094 6.190348\nSr W N\n2 2 6\ndirect\n0.033591 0.918157 0.357322 Sr\n0.971506 0.385501 0.888513 Sr\n0.519340 0.418680 0.367525 W\n0.444582 0.894857 0.871445 W\n0.035402 0.487997 0.312114 N\n0.618303 0.758557 0.570856 N\n0.484310 0.717968 0.034360 N\n0.918818 0.872916 0.734922 N\n0.531226 0.247410 0.535206 N\n0.491322 0.193081 0.058035 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"W",
"N"
],
"chemical_system": "N-Sr-W",
"density": 7.144578213208748,
"density_atomic": 0.06862581657598218,
"volume": 145.71775607111422,
"volume_molar": 8.775328382915944,
"formula_full": "Sr2 W2 N6",
"formula_reduced": "SrWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.690553211999999,
"spacegroup": 1
},
{
"id": "jvasp-101975",
"created_at": "2022-09-04T14:37:50.478303Z",
"updated_at": "2022-09-04T14:37:50.478314Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.258250 0.055769 -0.211701\n-1.729121 4.304232 -0.091547\n0.194417 -0.015877 19.019004\nSn H C F\n2 24 12 4\ndirect\n0.920785 0.984456 0.476282 Sn\n0.383484 0.829000 0.960756 Sn\n0.519507 0.614505 0.082416 H\n0.078987 0.479804 0.061731 H\n0.079259 0.014568 0.099005 H\n0.508144 0.128267 0.125805 H\n0.365388 0.185292 0.673014 H\n0.282384 0.407925 0.565524 H\n0.868061 0.272812 0.595700 H\n0.711828 0.638442 0.637857 H\n0.755037 0.941966 0.699315 H\n0.777595 0.440297 0.749705 H\n0.172214 0.525680 0.713156 H\n0.317878 0.883429 0.611224 H\n0.364560 0.700861 0.212156 H\n0.936067 0.587588 0.184647 H\n0.223562 0.796734 0.337894 H\n0.794534 0.682959 0.311200 H\n0.783504 0.196979 0.354404 H\n-0.008004 0.935688 0.821414 H\n0.224092 0.331908 0.374917 H\n0.394896 0.022966 0.788482 H\n0.452333 0.553830 0.840930 H\n0.026961 0.423425 0.864726 H\n0.366245 0.223314 0.252157 H\n0.937670 0.109830 0.224714 H\n0.892068 0.805976 0.675724 C\n0.271241 0.926349 0.119425 C\n0.073181 0.200718 0.579530 C\n0.182459 0.019090 0.635252 C\n0.309169 0.687287 0.067266 C\n0.000468 0.632745 0.733855 C\n0.165093 0.830055 0.800774 C\n0.031486 0.884860 0.317481 C\n0.129408 0.020955 0.245348 C\n0.248051 0.630509 0.855838 C\n0.993913 0.124307 0.369582 C\n0.172948 0.789864 0.191510 C\n0.911767 0.930241 0.960302 F\n0.392889 0.882673 0.476744 F\n0.750091 0.515593 0.476317 F\n0.554993 0.297879 0.960952 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.281697961778521,
"density_atomic": 0.11979876331503937,
"volume": 350.5879262672437,
"volume_molar": 5.026880573185339,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.035991536428572,
"spacegroup": 1
}
]
}