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=-volume_molar&page=4134",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4132",
"results": [
{
"id": "jvasp-49692",
"created_at": "2022-09-04T14:37:19.292472Z",
"updated_at": "2022-09-04T14:37:19.292486Z",
"structure_string": "Al4 Mo4 O12\n1.0\n5.157275 -0.000000 0.000000\n-0.000000 5.165350 0.000000\n0.000000 0.000000 8.023922\nAl Mo O\n4 4 12\ndirect\n-0.000311 0.970317 0.250000 Al\n0.500312 0.470316 0.750000 Al\n0.499689 0.529684 0.250000 Al\n0.000311 0.029684 0.750000 Al\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.846752 0.639991 0.250000 O\n0.653249 0.139991 0.750000 O\n0.651666 0.649966 0.913518 O\n0.848335 0.149966 0.086482 O\n0.151666 0.850034 0.586482 O\n0.848335 0.149966 0.413518 O\n0.348335 0.350034 0.086482 O\n0.151666 0.850034 0.913518 O\n0.153248 0.360009 0.750000 O\n0.651666 0.649966 0.586482 O\n0.348335 0.350034 0.413518 O\n0.346752 0.860009 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Mo",
"O"
],
"chemical_system": "Al-Mo-O",
"density": 5.3112233672056,
"density_atomic": 0.09356711810512505,
"volume": 213.75030464793718,
"volume_molar": 6.436172110413799,
"formula_full": "Al4 Mo4 O12",
"formula_reduced": "AlMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.7399678400000003,
"spacegroup": 62
},
{
"id": "jvasp-36745",
"created_at": "2022-09-04T14:38:05.204110Z",
"updated_at": "2022-09-04T14:38:05.204139Z",
"structure_string": "Ti2 Re2 N6\n1.0\n-4.541163 0.000000 2.338040\n-2.872458 4.223456 -0.000000\n-4.538612 0.001735 -3.236162\nTi Re N\n2 2 6\ndirect\n0.994363 0.994364 0.016910 Ti\n0.494363 0.494364 0.516910 Ti\n0.297944 0.297944 0.106168 Re\n0.797943 0.797945 0.606167 Re\n0.410888 0.071124 0.810597 N\n0.707391 0.410890 0.810596 N\n0.910888 0.207392 0.310597 N\n0.571122 0.910890 0.310597 N\n0.071122 0.707393 0.810597 N\n0.207391 0.571124 0.310597 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Re",
"N"
],
"chemical_system": "N-Re-Ti",
"density": 8.579621717054327,
"density_atomic": 0.0935689854754399,
"volume": 106.87301940048086,
"volume_molar": 6.436043662759065,
"formula_full": "Ti2 Re2 N6",
"formula_reduced": "TiReN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.450733216666666,
"spacegroup": 161
},
{
"id": "jvasp-9426",
"created_at": "2022-09-04T14:37:17.709004Z",
"updated_at": "2022-09-04T14:37:17.709014Z",
"structure_string": "Li2 Ta2 O6\n1.0\n4.567605 0.009650 3.078611\n1.642636 4.262025 3.078611\n0.014029 0.009650 5.508236\nLi Ta O\n2 2 6\ndirect\n0.281083 0.281083 0.281083 Li\n0.781083 0.781082 0.781084 Li\n0.999383 0.999382 0.999384 Ta\n0.499383 0.499383 0.499383 Ta\n0.613206 0.225930 0.868599 O\n0.725930 0.113206 0.368599 O\n0.113206 0.368598 0.725931 O\n0.368599 0.725930 0.113206 O\n0.868598 0.613205 0.225931 O\n0.225931 0.868597 0.613206 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Ta",
"density": 7.330236927875943,
"density_atomic": 0.09356959821426851,
"volume": 106.87231954443823,
"volume_molar": 6.436001516443061,
"formula_full": "Li2 Ta2 O6",
"formula_reduced": "LiTaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.53298594,
"spacegroup": 161
},
{
"id": "jvasp-48441",
"created_at": "2022-09-04T14:36:14.160884Z",
"updated_at": "2022-09-04T14:36:14.160904Z",
"structure_string": "Na2 Mn4 O8\n1.0\n0.000000 5.957964 -0.000000\n2.978982 -2.978982 4.214924\n5.957964 0.000000 0.000000\nNa Mn O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.749999 0.499999 0.750000 Na\n0.375000 0.250000 0.375000 Mn\n0.874999 0.250000 0.375000 Mn\n0.375000 0.749999 0.375000 Mn\n0.375000 0.749999 0.875000 Mn\n0.144920 0.289838 0.144748 O\n0.605080 0.210161 0.184586 O\n0.565413 0.710161 0.144920 O\n0.144747 0.710161 0.144920 O\n0.605080 0.210161 0.605252 O\n0.144920 0.289838 0.565413 O\n0.605252 0.789838 0.605080 O\n0.184586 0.789838 0.605080 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.369771297443105,
"density_atomic": 0.09357127301980918,
"volume": 149.6185693341607,
"volume_molar": 6.43588632028668,
"formula_full": "Na2 Mn4 O8",
"formula_reduced": "NaMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5716153546798024,
"spacegroup": 227
},
{
"id": "jvasp-95265",
"created_at": "2022-09-04T14:36:10.211135Z",
"updated_at": "2022-09-04T14:36:10.211159Z",
"structure_string": "Fe2 P6 H12 O18\n1.0\n6.505436 3.219690 -1.817316\n-6.505436 3.219690 1.817316\n0.123674 0.000000 9.659753\nFe P H O\n2 6 12 18\ndirect\n0.089308 0.699125 0.643488 Fe\n0.300875 0.910692 0.143488 Fe\n0.794177 0.390033 0.066334 P\n0.609967 0.205823 0.566334 P\n0.942015 0.857718 0.321017 P\n0.142282 0.057985 0.821016 P\n0.321232 0.601717 0.442679 P\n0.398282 0.678768 0.942678 P\n0.664830 0.693554 0.544598 H\n0.702562 0.944281 0.278986 H\n0.055719 0.297438 0.778986 H\n0.399573 0.196001 0.362428 H\n0.803998 0.600427 0.862428 H\n0.306446 0.335170 0.044598 H\n0.215320 0.390947 0.391078 H\n0.353354 0.213177 0.762481 H\n0.786823 0.646645 0.262482 H\n0.723569 0.143664 0.515830 H\n0.856337 0.276430 0.015830 H\n0.609053 0.784680 0.891077 H\n0.513223 0.637086 0.570072 O\n0.362914 0.486777 0.070073 O\n0.437643 0.799736 0.321336 O\n0.200264 0.562357 0.821336 O\n0.859050 0.010836 0.253372 O\n0.989164 0.140950 0.753371 O\n0.182932 0.985609 0.276370 O\n0.014391 0.817068 0.776369 O\n0.524068 0.310850 0.432106 O\n0.937071 0.815044 0.483924 O\n0.689150 0.475932 0.932106 O\n0.604454 0.220922 0.164464 O\n0.779078 0.395546 0.664464 O\n0.405584 0.988438 0.640731 O\n0.011562 0.594416 0.140731 O\n0.136379 0.579214 0.502808 O\n0.184955 0.062929 0.983924 O\n0.420786 0.863620 0.002808 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-O-P",
"density": 2.4436279346750505,
"density_atomic": 0.09357214809277827,
"volume": 406.1037474775336,
"volume_molar": 6.435826132824216,
"formula_full": "Fe2 P6 H12 O18",
"formula_reduced": "FeP3(H2O3)3",
"formula_anonymous": "AB3C6D9",
"energy_above_hull": 3.209695447368421,
"spacegroup": 9
},
{
"id": "jvasp-110409",
"created_at": "2022-09-04T14:38:38.950891Z",
"updated_at": "2022-09-04T14:38:38.950911Z",
"structure_string": "Dy1 Cu1 O3\n1.0\n3.766527 0.000000 0.000000\n-0.000000 3.766527 0.000000\n-0.000000 -0.000000 3.766527\nDy Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"O"
],
"chemical_system": "Cu-Dy-O",
"density": 8.516211869078477,
"density_atomic": 0.09357218039151452,
"volume": 53.4346851711646,
"volume_molar": 6.4358239113407585,
"formula_full": "Dy1 Cu1 O3",
"formula_reduced": "DyCuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.34087349,
"spacegroup": 221
},
{
"id": "jvasp-90508",
"created_at": "2022-09-04T14:35:56.509636Z",
"updated_at": "2022-09-04T14:35:56.509669Z",
"structure_string": "Si3 O6\n1.0\n4.903635 -0.722480 -0.141777\n-3.077503 3.885434 0.141777\n-0.049862 0.028788 5.716901\nSi O\n3 6\ndirect\n0.064221 0.533694 0.985606 Si\n0.554364 0.554363 0.666667 Si\n0.533695 0.064220 0.347727 Si\n0.047032 0.567419 0.281266 O\n0.245462 0.392823 0.875810 O\n0.666915 0.928074 0.541781 O\n0.392823 0.245462 0.457522 O\n0.928076 0.666913 0.791552 O\n0.567420 0.047032 0.052068 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 3.1119945152247626,
"density_atomic": 0.09357287521785854,
"volume": 96.18171910445191,
"volume_molar": 6.435776122064341,
"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4354152000000004,
"spacegroup": 5
},
{
"id": "jvasp-48043",
"created_at": "2022-09-04T14:38:35.682564Z",
"updated_at": "2022-09-04T14:38:35.682584Z",
"structure_string": "Li4 Mn6 Sb2 O16\n1.0\n2.979780 -5.161130 0.000000\n2.979780 5.161130 0.000000\n0.000000 0.000000 9.727910\nLi Mn Sb O\n4 6 2 16\ndirect\n0.333333 0.666667 0.905832 Li\n0.000000 0.000000 0.986381 Li\n0.000000 0.000000 0.486381 Li\n0.666667 0.333333 0.405832 Li\n0.838707 0.661913 0.713083 Mn\n0.338087 0.176794 0.713083 Mn\n0.823206 0.161293 0.713083 Mn\n0.176794 0.338087 0.213083 Mn\n0.161293 0.823206 0.213083 Mn\n0.661913 0.838707 0.213083 Mn\n0.333333 0.666667 0.485620 Sb\n0.666667 0.333333 0.985620 Sb\n0.332071 0.192627 0.091976 O\n0.860556 0.667929 0.091976 O\n0.666667 0.333333 0.618012 O\n0.476180 0.033872 0.848720 O\n0.557692 0.523820 0.848720 O\n0.667929 0.860556 0.591976 O\n0.523820 0.557692 0.348720 O\n0.033872 0.476180 0.348720 O\n0.192627 0.332071 0.591976 O\n0.000000 0.000000 0.796788 O\n0.000000 0.000000 0.296788 O\n0.333333 0.666667 0.118012 O\n0.966128 0.442308 0.848720 O\n0.139444 0.807373 0.591976 O\n0.442308 0.966128 0.348720 O\n0.807373 0.139444 0.091976 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.7555642616455875,
"density_atomic": 0.09357923541410591,
"volume": 299.2116774206871,
"volume_molar": 6.435338708796756,
"formula_full": "Li4 Mn6 Sb2 O16",
"formula_reduced": "Li2Mn3SbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.955591844581281,
"spacegroup": 159
},
{
"id": "jvasp-21076",
"created_at": "2022-09-04T14:38:31.265475Z",
"updated_at": "2022-09-04T14:38:31.265500Z",
"structure_string": "Li2 Ti4 O8\n1.0\n5.160405 -0.000000 2.979361\n1.720135 4.865277 2.979361\n0.000000 0.000000 5.958722\nLi Ti O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.875001 0.875001 0.874998 Li\n0.500001 0.500000 0.499999 Ti\n0.500000 0.000000 0.499999 Ti\n0.000000 0.500000 0.499999 Ti\n0.500001 0.500000 -0.000001 Ti\n0.261918 0.261918 0.714248 O\n0.738084 0.738083 0.738081 O\n0.738084 0.738083 0.285750 O\n0.261918 0.714249 0.261917 O\n0.261918 0.261918 0.261917 O\n0.285752 0.738083 0.738081 O\n0.738083 0.285752 0.738081 O\n0.714249 0.261918 0.261917 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.699975261639829,
"density_atomic": 0.09358011028368843,
"volume": 149.6044400627329,
"volume_molar": 6.435278545562577,
"formula_full": "Li2 Ti4 O8",
"formula_reduced": "LiTi2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4940058095238093,
"spacegroup": 227
},
{
"id": "jvasp-9481",
"created_at": "2022-09-04T14:38:31.431737Z",
"updated_at": "2022-09-04T14:38:31.431761Z",
"structure_string": "Mg2 Ti2 Si2 O10\n1.0\n5.426538 -0.149801 -0.021864\n-1.503961 4.905376 0.050567\n-1.810474 -2.078394 6.465508\nMg Ti Si O\n2 2 2 10\ndirect\n0.275543 0.153269 0.707732 Mg\n0.691585 0.852217 0.215920 Mg\n0.994697 0.512506 0.502148 Ti\n0.005262 0.492056 0.005718 Ti\n0.675684 0.807663 0.772867 Si\n0.332514 0.193540 0.255626 Si\n0.633659 0.519518 0.854211 O\n0.879224 0.807545 0.632694 O\n0.358619 0.474403 0.170012 O\n0.146819 0.204149 0.410829 O\n0.630385 0.191550 0.387168 O\n0.217985 0.898981 0.059278 O\n0.382374 0.810735 0.635713 O\n0.791786 0.079961 0.988106 O\n0.928338 0.614188 0.264874 O\n0.054194 0.389717 0.759070 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Ti",
"density": 3.501396426283535,
"density_atomic": 0.09358280494712641,
"volume": 170.97157975805365,
"volume_molar": 6.4350932453910366,
"formula_full": "Mg2 Ti2 Si2 O10",
"formula_reduced": "MgTiSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.262227935416666,
"spacegroup": 1
},
{
"id": "jvasp-97013",
"created_at": "2022-09-04T14:36:31.357282Z",
"updated_at": "2022-09-04T14:36:31.357299Z",
"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n10.547526 0.000000 0.000000\n0.000000 8.136637 0.000000\n0.000000 0.000000 4.980353\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.811682 0.319878 0.751440 Li\n0.188318 0.680122 0.251440 Li\n0.688319 0.819878 0.251440 Li\n0.311682 0.180122 0.751440 Li\n0.655936 0.417430 0.245452 Al\n0.344065 0.582570 0.745452 Al\n0.844065 0.917431 0.745452 Al\n0.155935 0.082570 0.245452 Al\n0.858019 0.128774 0.244335 Si\n0.141981 0.871227 0.744335 Si\n0.641981 0.628774 0.744335 Si\n0.358019 0.371226 0.244335 Si\n0.482310 0.958693 0.113332 H\n0.982310 0.541308 0.113332 H\n0.017690 0.458693 0.613332 H\n0.517690 0.041308 0.613332 H\n0.469651 0.829197 0.360903 H\n0.969651 0.670804 0.360903 H\n0.030349 0.329196 0.860902 H\n0.530349 0.170804 0.860902 H\n0.019616 0.579720 0.284751 O\n0.980384 0.420281 0.784751 O\n0.170540 0.893330 0.067190 O\n0.829460 0.106671 0.567189 O\n0.329460 0.393330 0.567189 O\n0.670541 0.606671 0.067190 O\n0.184009 0.042761 0.590099 O\n0.815991 0.957240 0.090099 O\n0.315991 0.542761 0.090099 O\n0.272818 0.218817 0.127007 O\n0.727182 0.781184 0.627006 O\n0.227182 0.718817 0.627006 O\n0.772818 0.281184 0.127007 O\n0.006646 0.167826 0.179189 O\n0.993354 0.832174 0.679189 O\n0.493354 0.667826 0.679189 O\n0.506647 0.332174 0.179189 O\n0.519617 0.920281 0.284751 O\n0.684009 0.457239 0.590099 O\n0.480384 0.079719 0.784751 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Li-O-Si",
"density": 2.2380974560215425,
"density_atomic": 0.09358458514524011,
"volume": 427.4208186948882,
"volume_molar": 6.4349708348376415,
"formula_full": "Li4 Al4 Si4 H8 O20",
"formula_reduced": "LiAlSiH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.48131389,
"spacegroup": 33
},
{
"id": "jvasp-29891",
"created_at": "2022-09-04T14:37:35.095744Z",
"updated_at": "2022-09-04T14:37:35.095762Z",
"structure_string": "Mn4 H8 S4 O16\n1.0\n4.851728 -0.164297 0.000000\n-0.234196 5.954803 0.000000\n0.000000 0.000000 11.850946\nMn H S O\n4 8 4 16\ndirect\n0.631665 0.795715 0.721239 Mn\n0.368335 0.204284 0.278762 Mn\n0.131665 0.295716 0.778762 Mn\n0.868335 0.704283 0.221239 Mn\n0.972453 0.743183 0.516892 H\n0.527546 0.756816 0.016892 H\n0.609680 0.414838 0.893352 H\n0.472453 0.243183 0.983109 H\n0.890320 0.085160 0.393351 H\n0.390320 0.585161 0.106649 H\n0.109679 0.914839 0.606649 H\n0.027547 0.256816 0.483109 H\n0.568516 0.288522 0.599071 S\n0.931484 0.211477 0.099071 S\n0.431484 0.711477 0.400929 S\n0.068515 0.788522 0.900929 S\n0.449057 0.305597 0.906670 O\n0.050943 0.194403 0.406670 O\n0.550943 0.694402 0.093330 O\n0.949057 0.805596 0.593330 O\n0.874167 0.289152 0.627675 O\n0.125832 0.710847 0.372325 O\n0.374167 0.789152 0.872325 O\n0.075078 0.426761 0.156872 O\n0.575077 0.926761 0.343128 O\n0.924922 0.573238 0.843129 O\n0.951164 0.973804 0.823753 O\n0.548835 0.526194 0.323753 O\n0.048836 0.026195 0.176247 O\n0.451164 0.473805 0.676247 O\n0.625833 0.210847 0.127675 O\n0.424922 0.073238 0.656872 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Mn-O-S",
"density": 2.9724143410552637,
"density_atomic": 0.09358621921423667,
"volume": 341.93068454604315,
"volume_molar": 6.434858476560715,
"formula_full": "Mn4 H8 S4 O16",
"formula_reduced": "MnH2SO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.8943914051724136,
"spacegroup": 14
}
]
}