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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=143",
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"results": [
{
"id": "jvasp-10719",
"created_at": "2022-09-04T14:38:03.266038Z",
"updated_at": "2022-09-04T14:38:03.266064Z",
"structure_string": "Tb2 Cu1 Ge4 O12\n1.0\n-4.955198 0.022558 0.011979\n1.628237 7.091567 -0.042566\n-0.408300 -3.169023 -7.317357\nTb Cu Ge O\n2 1 4 12\ndirect\n0.949821 0.767956 0.546860 Tb\n0.050179 0.232045 0.453140 Tb\n0.000000 0.000000 0.000000 Cu\n0.460221 0.833240 0.222588 Ge\n0.539779 0.166761 0.777412 Ge\n0.417938 0.617236 0.796283 Ge\n0.582062 0.382766 0.203718 Ge\n0.250361 0.988586 0.798519 O\n0.749809 0.771592 0.809733 O\n0.250191 0.228409 0.190267 O\n0.260017 0.690664 0.011207 O\n0.407462 0.342077 0.711405 O\n0.220295 0.578325 0.603987 O\n0.779705 0.421676 0.396014 O\n0.749639 0.011416 0.201482 O\n0.772942 0.065288 0.611191 O\n0.227058 0.934713 0.388810 O\n0.592538 0.657924 0.288596 O\n0.739983 0.309337 0.988794 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Cu-Ge-O-Tb",
"density": 5.559618127430817,
"density_atomic": 0.07363106940733444,
"volume": 258.0432438769849,
"volume_molar": 8.178803877864269,
"formula_full": "Tb2 Cu1 Ge4 O12",
"formula_reduced": "Tb2Cu(GeO3)4",
"formula_anonymous": "AB2C4D12",
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"spacegroup": 2
},
{
"id": "jvasp-45174",
"created_at": "2022-09-04T14:38:03.269041Z",
"updated_at": "2022-09-04T14:38:03.269067Z",
"structure_string": "Li5 Fe2 Cu3 O10\n1.0\n5.003388 0.109841 0.075073\n-1.364860 5.034597 -0.118012\n-1.763592 -2.302646 6.959572\nLi Fe Cu O\n5 2 3 10\ndirect\n0.206423 0.909805 0.399862 Li\n0.401094 0.282149 0.789297 Li\n0.500000 0.500000 0.500000 Li\n0.598907 0.717850 0.210703 Li\n0.793578 0.090194 0.600137 Li\n0.100068 0.677814 0.688786 Fe\n0.899933 0.322185 0.311213 Fe\n0.697333 0.884970 0.897474 Cu\n0.302667 0.115029 0.102525 Cu\n0.000000 0.500000 0.000000 Cu\n0.661747 0.339376 0.077117 O\n0.060802 0.017333 0.831057 O\n0.338253 0.660623 0.922882 O\n0.133704 0.325368 0.542811 O\n0.209948 0.528164 0.252304 O\n0.439028 0.874598 0.658977 O\n0.560972 0.125402 0.341022 O\n0.790052 0.471836 0.747696 O\n0.866297 0.674632 0.457188 O\n0.939198 0.982667 0.168942 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.691495794984174,
"density_atomic": 0.11368737739441268,
"volume": 175.92102534492037,
"volume_molar": 5.29710588635319,
"formula_full": "Li5 Fe2 Cu3 O10",
"formula_reduced": "Li5Fe2Cu3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.0211498675,
"spacegroup": 2
},
{
"id": "jvasp-10098",
"created_at": "2022-09-04T14:38:03.283901Z",
"updated_at": "2022-09-04T14:38:03.283936Z",
"structure_string": "Cd4 B4 O10\n1.0\n3.476990 -0.031165 0.016989\n-0.199045 6.395923 0.022198\n-0.158152 -2.683768 9.681674\nCd B O\n4 4 10\ndirect\n0.752995 0.219619 0.875733 Cd\n0.247004 0.780379 0.124267 Cd\n0.775437 0.654645 0.407176 Cd\n0.224562 0.345354 0.592824 Cd\n0.684566 0.127733 0.319798 B\n0.315433 0.872265 0.680202 B\n0.666384 0.672660 0.844233 B\n0.333615 0.327338 0.155767 B\n0.741150 0.712322 0.982069 O\n0.258849 0.287676 0.017931 O\n0.812960 0.924129 0.303281 O\n0.187039 0.075869 0.696719 O\n0.486519 0.155945 0.201631 O\n0.269760 0.703801 0.563625 O\n0.513480 0.844054 0.798369 O\n0.278810 0.524725 0.246822 O\n0.730239 0.296197 0.436375 O\n0.721189 0.475273 0.753178 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O",
"density": 5.031262100553075,
"density_atomic": 0.08353445713745855,
"volume": 215.47994225162006,
"volume_molar": 7.209169684421818,
"formula_full": "Cd4 B4 O10",
"formula_reduced": "Cd2B2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.040262462962963,
"spacegroup": 2
},
{
"id": "jvasp-45798",
"created_at": "2022-09-04T14:38:03.379815Z",
"updated_at": "2022-09-04T14:38:03.379836Z",
"structure_string": "Li3 Mn3 Fe2 O10\n1.0\n4.951991 -0.016887 0.021820\n0.789052 4.977116 -0.024929\n2.386367 1.997711 6.787453\nLi Mn Fe O\n3 3 2 10\ndirect\n0.221515 0.501213 0.572683 Li\n0.500000 -0.000000 0.500000 Li\n0.778486 0.498788 0.427316 Li\n-0.000000 0.500000 -0.000000 Mn\n0.686767 0.005775 0.108370 Mn\n0.313233 0.994225 0.891630 Mn\n0.105907 -0.000282 0.310571 Fe\n0.894094 0.000281 0.689429 Fe\n0.875212 0.775508 0.538226 O\n0.784481 0.237370 0.236871 O\n0.547388 0.211608 0.662677 O\n0.452612 0.788392 0.337322 O\n0.036078 0.778570 0.140442 O\n0.124789 0.224492 0.461773 O\n0.346080 0.213836 0.055877 O\n0.653921 0.786165 0.944122 O\n0.215519 0.762630 0.763128 O\n0.963922 0.221430 0.859557 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.5364058908879965,
"density_atomic": 0.10752613629359326,
"volume": 167.4011605034533,
"volume_molar": 5.600629732995267,
"formula_full": "Li3 Mn3 Fe2 O10",
"formula_reduced": "Li3Mn3(FeO5)2",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.0957293180076624,
"spacegroup": 2
},
{
"id": "jvasp-46794",
"created_at": "2022-09-04T14:38:03.435017Z",
"updated_at": "2022-09-04T14:38:03.435040Z",
"structure_string": "Li6 Mn6 O12\n1.0\n5.115973 -0.007385 0.045835\n-0.079761 5.783444 0.002817\n-0.364380 -0.128068 7.162496\nLi Mn O\n6 6 12\ndirect\n0.409391 0.126861 0.176013 Li\n0.590609 0.873138 0.823989 Li\n0.912792 0.370827 0.167488 Li\n0.245289 0.880264 0.507928 Li\n0.087208 0.629172 0.832514 Li\n0.754711 0.119734 0.492074 Li\n0.083474 0.114654 0.832393 Mn\n0.242772 0.366622 0.494683 Mn\n0.757228 0.633376 0.505318 Mn\n0.591297 0.376946 0.837270 Mn\n0.408703 0.623052 0.162732 Mn\n0.916526 0.885344 0.167608 Mn\n0.084094 0.130240 0.336356 O\n0.266322 0.377520 0.996757 O\n0.233561 0.867463 0.015662 O\n0.733678 0.622478 0.003245 O\n0.766439 0.132536 0.984340 O\n0.397571 0.139189 0.675467 O\n0.433401 0.606291 0.661655 O\n0.915430 0.380232 0.661418 O\n0.915905 0.869759 0.663646 O\n0.566598 0.393708 0.338346 O\n0.602429 0.860809 0.324535 O\n0.084570 0.619766 0.338584 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.4115405540691714,
"density_atomic": 0.11319781869400133,
"volume": 212.01821975807937,
"volume_molar": 5.320014846115696,
"formula_full": "Li6 Mn6 O12",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9339485603448276,
"spacegroup": 2
},
{
"id": "jvasp-5446",
"created_at": "2022-09-04T14:38:03.665880Z",
"updated_at": "2022-09-04T14:38:03.665907Z",
"structure_string": "Sb2 S16 Cl6\n1.0\n8.067086 -0.153858 0.024194\n-3.052966 7.976211 0.175391\n-3.261653 -2.143705 9.827920\nSb S Cl\n2 16 6\ndirect\n0.811920 0.076941 0.845582 Sb\n0.188080 0.923058 0.154417 Sb\n0.161734 0.236182 0.649668 S\n0.838266 0.763817 0.350332 S\n0.348226 0.490025 0.740962 S\n0.651774 0.509974 0.259038 S\n0.288951 0.549401 0.909669 S\n0.711049 0.450598 0.090331 S\n0.885477 0.319471 0.140594 S\n0.114523 0.680528 0.859406 S\n0.936526 0.235562 0.490840 S\n0.291449 0.802779 0.443634 S\n0.708551 0.197220 0.556366 S\n0.299312 0.568976 0.389480 S\n0.700688 0.431023 0.610520 S\n0.166711 0.493591 0.182267 S\n0.833289 0.506408 0.817733 S\n0.063474 0.764437 0.509160 S\n0.756280 0.846627 0.670866 Cl\n0.484023 0.038892 0.792723 Cl\n0.515977 0.961107 0.207277 Cl\n0.772770 0.880086 0.006740 Cl\n0.227230 0.119913 -0.006740 Cl\n0.243720 0.153372 0.329133 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.5480543263995,
"density_atomic": 0.0379946520763065,
"volume": 631.6678450377606,
"volume_molar": 15.849969484930257,
"formula_full": "Sb2 S16 Cl6",
"formula_reduced": "SbS8Cl3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.709259858541667,
"spacegroup": 2
},
{
"id": "jvasp-36785",
"created_at": "2022-09-04T14:38:03.783237Z",
"updated_at": "2022-09-04T14:38:03.783254Z",
"structure_string": "H2 Au2 O4\n1.0\n4.091414 0.033537 -0.001824\n-1.929906 4.255478 0.019733\n-0.046692 -0.271770 5.438386\nH Au O\n2 2 4\ndirect\n0.920158 0.972272 0.248293 H\n0.079841 0.027730 0.751708 H\n-0.000000 0.500000 -0.000000 Au\n0.500000 0.500001 0.500000 Au\n0.247612 0.281080 0.799219 O\n0.950939 0.722702 0.702813 O\n0.752387 0.718921 0.200782 O\n0.049060 0.277299 0.297188 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"H",
"Au",
"O"
],
"chemical_system": "Au-H-O",
"density": 8.034506110630788,
"density_atomic": 0.0841574649900255,
"volume": 95.05989754976787,
"volume_molar": 7.155801045948515,
"formula_full": "H2 Au2 O4",
"formula_reduced": "HAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8371511425,
"spacegroup": 2
},
{
"id": "jvasp-29835",
"created_at": "2022-09-04T14:38:03.802576Z",
"updated_at": "2022-09-04T14:38:03.802594Z",
"structure_string": "Al4 H12 O12\n1.0\n-4.270157 2.306343 4.734391\n4.443693 -2.397212 5.434028\n4.213273 2.493427 -6.444171\nAl H O\n4 12 12\ndirect\n0.453484 0.836496 0.288921 Al\n0.508805 0.165795 0.681056 Al\n0.972206 0.671530 0.638915 Al\n0.990085 0.330752 0.331059 Al\n0.791297 0.599363 0.812110 H\n0.170986 0.402926 0.157855 H\n0.658206 0.909663 0.151817 H\n0.616024 0.830747 0.674302 H\n0.346204 0.171515 0.295633 H\n0.304104 0.092613 0.818159 H\n0.153660 0.715742 0.459939 H\n0.380158 0.466408 0.060222 H\n0.582132 0.535885 0.909766 H\n0.911464 0.945172 0.111534 H\n0.050826 0.057124 0.858439 H\n0.808570 0.286543 0.509982 H\n0.507942 0.190216 0.915555 O\n0.454351 0.812073 0.054420 O\n0.434272 0.868453 0.524027 O\n0.528010 0.133849 0.445951 O\n0.938074 0.389727 0.540407 O\n0.501060 0.439137 0.727219 O\n0.461221 0.563154 0.242763 O\n0.002992 0.059090 0.294726 O\n0.959293 0.943197 0.675248 O\n0.010713 0.284309 0.088475 O\n0.024199 0.612559 0.429549 O\n0.951580 0.717975 0.881501 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.455327214649888,
"density_atomic": 0.13269174455988397,
"volume": 211.0153882810966,
"volume_molar": 4.538444181267208,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4481219000000003,
"spacegroup": 2
},
{
"id": "jvasp-33275",
"created_at": "2022-09-04T14:38:04.040516Z",
"updated_at": "2022-09-04T14:38:04.040533Z",
"structure_string": "H16 N16\n1.0\n6.168457 -0.064217 0.674309\n-1.582774 5.592997 -3.298888\n0.639962 -0.735782 8.143801\nH N\n16 16\ndirect\n0.673820 0.933432 0.346568 H\n0.002097 0.671355 0.429397 H\n0.008027 0.794519 0.862925 H\n0.794495 0.974641 0.625727 H\n0.619761 0.239318 0.068474 H\n0.590587 0.486235 0.332665 H\n0.634511 0.417616 0.857721 H\n0.785484 0.437972 0.570987 H\n0.326181 0.066568 0.653432 H\n0.365490 0.582384 0.142279 H\n0.409414 0.513765 0.667335 H\n0.380240 0.760683 0.931526 H\n0.205506 0.025359 0.374273 H\n-0.008026 0.205482 0.137075 H\n-0.002097 0.328646 0.570603 H\n0.214517 0.562028 0.429013 H\n0.156639 0.126079 0.881250 N\n0.833109 0.339596 0.613738 N\n0.101151 0.283741 0.066056 N\n0.550900 0.299393 0.209006 N\n0.305805 0.190143 0.391067 N\n0.693258 0.779789 0.202651 N\n0.306743 0.220211 0.797349 N\n0.898850 0.716260 0.933943 N\n0.449101 0.700607 0.790994 N\n0.166892 0.660404 0.386262 N\n0.843362 0.873922 0.118749 N\n0.593791 0.879392 0.778134 N\n0.806194 0.449113 0.822472 N\n0.406210 0.120609 0.221866 N\n0.694196 0.809857 0.608932 N\n0.193807 0.550887 0.177527 N\n",
"nsites": 32,
"nelements": 2,
"elements": [
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"N"
],
"chemical_system": "H-N",
"density": 1.512948136729525,
"density_atomic": 0.12136403730110822,
"volume": 263.6695409251007,
"volume_molar": 4.962047154923554,
"formula_full": "H16 N16",
"formula_reduced": "HN",
"formula_anonymous": "AB",
"energy_above_hull": 2.662456625,
"spacegroup": 2
},
{
"id": "jvasp-32852",
"created_at": "2022-09-04T14:38:03.954410Z",
"updated_at": "2022-09-04T14:38:03.954437Z",
"structure_string": "Ti2 N6 Cl6\n1.0\n5.764836 -0.006272 0.716758\n1.270041 6.449831 0.103436\n-0.027192 0.082230 7.476360\nTi N Cl\n2 6 6\ndirect\n0.719281 0.931002 0.136659 Ti\n0.280720 0.068998 0.863342 Ti\n0.389084 0.118604 0.123225 N\n0.714797 0.747938 0.767060 N\n0.812826 0.624843 0.665764 N\n0.610917 0.881396 0.876776 N\n0.187175 0.375157 0.334237 N\n0.285204 0.252062 0.232940 N\n0.381242 0.353931 0.745245 Cl\n0.618759 0.646069 0.254756 Cl\n0.891254 0.235515 0.961526 Cl\n0.108747 0.764485 0.038475 Cl\n0.236017 0.913303 0.613049 Cl\n0.763984 0.086697 0.386952 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"N",
"Cl"
],
"chemical_system": "Cl-N-Ti",
"density": 2.342744655056221,
"density_atomic": 0.05032373462531599,
"volume": 278.1987486468686,
"volume_molar": 11.966800168623585,
"formula_full": "Ti2 N6 Cl6",
"formula_reduced": "Ti(NCl)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.0871686122619044,
"spacegroup": 2
},
{
"id": "jvasp-42191",
"created_at": "2022-09-04T14:38:04.073028Z",
"updated_at": "2022-09-04T14:38:04.073056Z",
"structure_string": "Li3 Fe1 P2 H1 O8\n1.0\n4.965031 0.102003 0.044149\n-2.002752 4.621724 0.000074\n-0.008986 -0.094976 6.170356\nLi Fe P H O\n3 1 2 1 8\ndirect\n0.622271 0.221007 0.755393 Li\n-0.000001 -0.000000 0.500000 Li\n0.377727 0.778991 0.244607 Li\n0.000000 0.000000 0.000000 Fe\n0.640166 0.360423 0.245810 P\n0.359832 0.639575 0.754190 P\n-0.000001 0.499999 0.500000 H\n0.760866 0.249437 0.049176 O\n0.782202 0.294793 0.457685 O\n0.308308 0.191277 0.262661 O\n0.275675 0.310744 0.762128 O\n0.724323 0.689254 0.237872 O\n0.691691 0.808720 0.737339 O\n0.217796 0.705205 0.542316 O\n0.239133 0.750561 0.950824 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.110633724595948,
"density_atomic": 0.10499645578975851,
"volume": 142.86196507466417,
"volume_molar": 5.735565752865545,
"formula_full": "Li3 Fe1 P2 H1 O8",
"formula_reduced": "Li3FeP2HO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.6184589666666667,
"spacegroup": 2
},
{
"id": "jvasp-33742",
"created_at": "2022-09-04T14:38:04.228616Z",
"updated_at": "2022-09-04T14:38:04.228628Z",
"structure_string": "Si1 H18 C2 N8 O2 F6\n1.0\n6.443847 -0.124837 -0.038382\n-0.038487 6.571076 -0.154353\n0.909571 2.389262 7.374557\nSi H C N O F\n1 18 2 8 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.773045 0.619757 0.943263 H\n0.887602 0.230931 0.300293 H\n0.737992 0.390963 0.918115 H\n0.839182 0.832109 0.385383 H\n0.775616 0.686562 0.614555 H\n0.707273 0.137148 0.679421 H\n0.540560 0.383990 0.254158 H\n0.451116 0.078812 0.791663 H\n0.885099 0.475722 0.322880 H\n0.459440 0.616010 0.745843 H\n0.292726 0.862852 0.320580 H\n0.224384 0.313438 0.385446 H\n0.160817 0.167890 0.614618 H\n0.262008 0.609037 0.081886 H\n0.112398 0.769069 0.699708 H\n0.226955 0.380242 0.056738 H\n0.114901 0.524278 0.677121 H\n0.548884 0.921187 0.208338 H\n0.474991 0.237705 0.522920 C\n0.525009 0.762294 0.477081 C\n0.823026 0.322815 0.376379 N\n0.730077 0.756520 0.490177 N\n0.606212 0.322053 0.371482 N\n0.550002 0.153041 0.678837 N\n0.393787 0.677947 0.628520 N\n0.269923 0.243480 0.509824 N\n0.176974 0.677185 0.623622 N\n0.449998 0.846958 0.321164 N\n0.277560 0.456656 0.137617 O\n0.722439 0.543344 0.862384 O\n0.874582 0.753007 0.087102 F\n0.046355 0.000372 0.212763 F\n0.125418 0.246992 0.912899 F\n0.234895 0.885871 0.970803 F\n0.765105 0.114128 0.029198 F\n0.953645 -0.000373 0.787237 F\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Si",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "C-F-H-N-O-Si",
"density": 1.7314233103518675,
"density_atomic": 0.1175153887112905,
"volume": 314.85238151150463,
"volume_molar": 5.12455502725271,
"formula_full": "Si1 H18 C2 N8 O2 F6",
"formula_reduced": "SiH18C2N8(OF3)2",
"formula_anonymous": "AB2C2D6E8F18",
"energy_above_hull": 3.70865576472973,
"spacegroup": 2
}
]
}