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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=173",
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"results": [
{
"id": "jvasp-116857",
"created_at": "2022-09-04T14:38:48.543909Z",
"updated_at": "2022-09-04T14:38:48.543927Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n5.153806 -0.003352 -0.038404\n1.556284 7.321127 -0.440305\n-0.021774 -0.137452 8.024521\nLi Ni P O\n4 4 4 16\ndirect\n0.292979 0.185430 0.899278 Li\n0.310389 0.676477 0.576996 Li\n0.689611 0.323523 0.423004 Li\n0.707021 0.814571 0.100721 Li\n0.147181 0.943386 0.310694 Ni\n0.188060 0.458183 0.217285 Ni\n0.811940 0.541819 0.782715 Ni\n0.852819 0.056615 0.689306 Ni\n0.751642 0.718510 0.436027 P\n0.775265 0.212190 0.086013 P\n0.224736 0.787812 0.913987 P\n0.248359 0.281492 0.563973 P\n0.866997 0.648432 0.260191 O\n0.741131 0.554971 0.542511 O\n0.818019 0.036450 0.182417 O\n0.568673 0.361487 0.183150 O\n0.673884 0.173167 0.906576 O\n0.465909 0.825117 0.429550 O\n0.534091 0.174884 0.570449 O\n0.042562 0.279288 0.078919 O\n0.431328 0.638514 0.816849 O\n0.181981 0.963551 0.817582 O\n0.258869 0.445030 0.457489 O\n0.133003 0.351569 0.739808 O\n0.957437 0.720713 0.921081 O\n0.055050 0.163552 0.481738 O\n0.326116 0.826834 0.093424 O\n0.944950 0.836449 0.518262 O\n",
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"density_atomic": 0.09255874801342123,
"volume": 302.51057410521514,
"volume_molar": 6.506290209464345,
"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
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{
"id": "jvasp-120720",
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"updated_at": "2022-09-04T14:38:48.616508Z",
"structure_string": "Bi6 As4 O20\n1.0\n6.667483 0.027356 -2.009026\n-1.014472 6.624089 -2.609967\n0.041153 -0.060801 9.558196\nBi As O\n6 4 20\ndirect\n0.234811 0.605606 0.487656 Bi\n0.765188 0.394395 0.512344 Bi\n0.263220 0.218709 0.686836 Bi\n0.736780 0.781292 0.313163 Bi\n0.202572 0.817201 0.900152 Bi\n0.797428 0.182799 0.099848 Bi\n0.690424 0.631772 0.902095 As\n0.309576 0.368229 0.097905 As\n0.235716 0.972245 0.291871 As\n0.764284 0.027756 0.708129 As\n0.397450 0.833449 0.204107 O\n0.389277 0.134424 0.042866 O\n0.610723 0.865576 0.957134 O\n0.263770 0.432431 0.934802 O\n0.736230 0.567570 0.065197 O\n0.516746 0.501610 0.261962 O\n0.483253 0.498391 0.738038 O\n0.602550 0.166552 0.795892 O\n0.876022 0.141810 0.613664 O\n0.049426 0.970817 0.127466 O\n0.645824 0.797706 0.557396 O\n0.354175 0.202295 0.442604 O\n0.950573 0.029183 0.872534 O\n0.884419 0.602779 0.822229 O\n0.793347 0.124899 0.312806 O\n0.206652 0.875101 0.687194 O\n0.901487 0.539713 0.378294 O\n0.098513 0.460287 0.621706 O\n0.123978 0.858191 0.386336 O\n0.115580 0.397222 0.177771 O\n",
"nsites": 30,
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"elements": [
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"density": 7.376236210586635,
"density_atomic": 0.07112792004146216,
"volume": 421.77530261692294,
"volume_molar": 8.46663413816902,
"formula_full": "Bi6 As4 O20",
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"formula_anonymous": "A2B3C10",
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"spacegroup": 2
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{
"id": "jvasp-120665",
"created_at": "2022-09-04T14:38:51.628668Z",
"updated_at": "2022-09-04T14:38:51.628684Z",
"structure_string": "Cd8 Sn2 N8\n1.0\n6.038327 0.005758 0.372028\n2.091482 5.237165 2.243933\n0.005761 -0.017283 9.120491\nCd Sn N\n8 2 8\ndirect\n0.714783 0.633177 0.207688 Cd\n0.285216 0.366825 0.792311 Cd\n0.751350 0.238638 0.995424 Cd\n0.248649 0.761364 0.004575 Cd\n0.750053 0.478929 0.588941 Cd\n0.249947 0.521072 0.411058 Cd\n0.248080 0.924045 0.585574 Cd\n0.751919 0.075957 0.414426 Cd\n0.272901 0.159903 0.212859 Sn\n0.727098 0.840099 0.787140 Sn\n0.955125 0.704714 0.622238 N\n0.044874 0.295288 0.377762 N\n0.853692 0.834223 0.993402 N\n0.146307 0.165779 0.006598 N\n0.476444 0.662915 0.811839 N\n0.523555 0.337087 0.188160 N\n0.444549 0.781272 0.370468 N\n0.555450 0.218730 0.629532 N\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Cd-N-Sn",
"density": 7.186995370297549,
"density_atomic": 0.06238658843885248,
"volume": 288.52355050064165,
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"formula_full": "Cd8 Sn2 N8",
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"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-119297",
"created_at": "2022-09-04T14:38:48.865660Z",
"updated_at": "2022-09-04T14:38:48.865688Z",
"structure_string": "Fe2 P4 O14\n1.0\n6.156157 0.011293 -0.191608\n0.498075 5.562920 -2.414469\n-0.065364 0.192278 6.884040\nFe P O\n2 4 14\ndirect\n0.647213 0.100645 0.213783 Fe\n0.352788 0.899355 0.786217 Fe\n0.384033 0.337869 0.649825 P\n0.615968 0.662130 0.350174 P\n0.136514 0.243009 0.243527 P\n0.863487 0.756990 0.756471 P\n0.661595 0.937527 0.863765 O\n0.946067 0.082038 0.221360 O\n0.590760 0.237511 0.520361 O\n0.813701 0.677296 0.508121 O\n0.386861 0.600605 0.798817 O\n0.338405 0.062473 0.136234 O\n0.053934 0.917962 0.778639 O\n0.186299 0.322703 0.491878 O\n0.664087 0.792352 0.207207 O\n0.093544 0.447110 0.177739 O\n0.906457 0.552891 0.822261 O\n0.613139 0.399396 0.201182 O\n0.335914 0.207648 0.792793 O\n0.409241 0.762489 0.479638 O\n",
"nsites": 20,
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"elements": [
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"P",
"O"
],
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"density": 3.199966491828781,
"density_atomic": 0.08386261021572113,
"volume": 238.4853029085749,
"volume_molar": 7.180960316533377,
"formula_full": "Fe2 P4 O14",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9641431,
"spacegroup": 2
},
{
"id": "jvasp-117542",
"created_at": "2022-09-04T14:38:48.816896Z",
"updated_at": "2022-09-04T14:38:48.816913Z",
"structure_string": "Ba2 C2\n1.0\n8.236819 0.986236 -0.128833\n7.087871 -3.460185 -0.059178\n0.932407 2.366882 -3.774484\nBa C\n2 2\ndirect\n0.034272 0.034074 0.592098 Ba\n0.089753 0.527099 0.953543 Ba\n0.474737 0.322501 0.215392 C\n0.649296 0.238656 0.330250 C\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.7435797668556527,
"density_atomic": 0.0301924621982039,
"volume": 132.48339846353946,
"volume_molar": 19.94584184776506,
"formula_full": "Ba2 C2",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 1.898487985,
"spacegroup": 2
},
{
"id": "jvasp-119178",
"created_at": "2022-09-04T14:38:48.893103Z",
"updated_at": "2022-09-04T14:38:48.893122Z",
"structure_string": "K1 Ba3 Fe8 As8\n1.0\n6.700412 -0.029611 1.983629\n-2.253687 7.552011 3.848523\n-0.023953 0.071375 7.848937\nK Ba Fe As\n1 3 8 8\ndirect\n0.000000 0.000000 0.000000 K\n-0.000033 0.492054 0.753915 Ba\n0.000000 0.000000 0.500000 Ba\n0.000033 0.507946 0.246085 Ba\n0.499648 0.874645 0.937406 Fe\n0.500491 0.874757 0.437831 Fe\n0.499313 0.375051 0.687642 Fe\n0.500142 0.375403 0.187258 Fe\n0.500352 0.125355 0.062594 Fe\n0.499858 0.624598 0.812742 Fe\n0.500687 0.624950 0.312358 Fe\n0.499509 0.125244 0.562169 Fe\n0.694115 0.173402 0.240140 As\n0.305714 0.326510 0.509955 As\n0.305770 0.325970 0.010929 As\n0.307281 0.826977 0.260047 As\n0.305885 0.826598 0.759860 As\n0.694286 0.673490 0.490045 As\n0.694230 0.674031 0.989071 As\n0.692719 0.173024 0.739953 As\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "As-Ba-Fe-K",
"density": 6.296566420148849,
"density_atomic": 0.05065255523907348,
"volume": 394.84681287257075,
"volume_molar": 11.889115428780006,
"formula_full": "K1 Ba3 Fe8 As8",
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"formula_anonymous": "AB3C8D8",
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"spacegroup": 2
},
{
"id": "jvasp-119237",
"created_at": "2022-09-04T14:38:49.124795Z",
"updated_at": "2022-09-04T14:38:49.124818Z",
"structure_string": "Sc4 Mo4 N12\n1.0\n10.638726 -0.364520 -1.867364\n-3.936642 3.769415 -0.785844\n-0.072389 0.793536 6.427779\nSc Mo N\n4 4 12\ndirect\n0.635381 0.533566 0.388716 Sc\n0.364619 0.466433 0.611286 Sc\n0.805200 0.050303 0.889373 Sc\n0.194800 -0.050302 0.110629 Sc\n-0.022083 0.771584 0.662162 Mo\n0.022083 0.228415 0.337839 Mo\n0.575458 0.944231 0.194064 Mo\n0.424542 0.055768 0.805937 Mo\n0.241933 0.106686 0.811791 N\n0.758067 0.893314 0.188210 N\n0.435608 0.050951 0.129135 N\n0.564392 0.949049 0.870866 N\n0.083429 0.428718 0.119266 N\n0.094859 0.009004 0.360837 N\n0.238463 0.655455 0.584276 N\n0.761538 0.344544 0.415725 N\n0.558695 0.441208 0.693941 N\n0.905141 0.990995 0.639165 N\n0.916571 0.571281 0.880735 N\n0.441305 0.558792 0.306060 N\n",
"nsites": 20,
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"elements": [
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"Mo",
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],
"chemical_system": "Mo-N-Sc",
"density": 4.664318170776762,
"density_atomic": 0.0767816340308972,
"volume": 260.4789576626089,
"volume_molar": 7.843204740311556,
"formula_full": "Sc4 Mo4 N12",
"formula_reduced": "ScMoN3",
"formula_anonymous": "ABC3",
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"spacegroup": 2
},
{
"id": "jvasp-118005",
"created_at": "2022-09-04T14:38:49.434110Z",
"updated_at": "2022-09-04T14:38:49.434137Z",
"structure_string": "Cd2 O2\n1.0\n4.015627 -0.458270 -0.618562\n1.181189 -6.085158 -0.153969\n1.763463 -1.848273 -2.979866\nCd O\n2 2\ndirect\n0.158520 0.895071 -0.024156 Cd\n0.840892 0.513973 0.009696 Cd\n0.401761 0.243339 0.858673 O\n0.597618 0.165714 0.126864 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.57140075501756,
"density_atomic": 0.0616365969590655,
"volume": 64.89650949835057,
"volume_molar": 9.770397875793602,
"formula_full": "Cd2 O2",
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"formula_anonymous": "AB",
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"spacegroup": 2
},
{
"id": "jvasp-119326",
"created_at": "2022-09-04T14:38:49.472550Z",
"updated_at": "2022-09-04T14:38:49.472578Z",
"structure_string": "Li2 Mn2 F10\n1.0\n5.143933 0.079455 -0.461054\n2.487096 4.622735 1.540519\n-0.010758 -0.088188 7.001369\nLi Mn F\n2 2 10\ndirect\n0.314833 0.297441 0.767203 Li\n0.685168 0.702557 0.232798 Li\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.137674 0.010718 0.256316 F\n0.216663 0.163234 0.562404 F\n0.025789 0.653664 0.126328 F\n0.313162 0.643730 0.629652 F\n0.616304 0.174202 0.013004 F\n0.862327 0.989280 0.743685 F\n0.383697 0.825796 0.986997 F\n0.686839 0.356268 0.370350 F\n0.974212 0.346334 0.873674 F\n0.783338 0.836764 0.437597 F\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.140748701086163,
"density_atomic": 0.08439938800047402,
"volume": 165.87798006214655,
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"formula_full": "Li2 Mn2 F10",
"formula_reduced": "LiMnF5",
"formula_anonymous": "ABC5",
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"spacegroup": 2
},
{
"id": "jvasp-117226",
"created_at": "2022-09-04T14:38:49.517896Z",
"updated_at": "2022-09-04T14:38:49.517924Z",
"structure_string": "Ca2 Ti1 Si2 Sn1 O10\n1.0\n5.322355 -0.030380 -1.289524\n-1.923083 5.051172 -1.375390\n0.089112 -0.010583 7.163459\nCa Ti Si Sn O\n2 1 2 1 10\ndirect\n0.164410 0.833225 0.779851 Ca\n0.835589 0.166775 0.220150 Ca\n0.500000 0.500000 0.000000 Ti\n0.179486 0.816210 0.249815 Si\n0.820513 0.183791 0.750186 Si\n0.500000 0.500000 0.500000 Sn\n0.226826 0.111988 0.401761 O\n0.111188 0.259489 0.925907 O\n0.773173 0.888013 0.598240 O\n0.888812 0.740511 0.074094 O\n0.580843 0.422020 0.239012 O\n0.419156 0.577980 0.760989 O\n0.594399 0.181682 0.870436 O\n0.174986 0.611359 0.380314 O\n0.405600 0.818318 0.129565 O\n0.825013 0.388641 0.619687 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ca-O-Si-Sn-Ti",
"density": 3.9900283077860275,
"density_atomic": 0.08305419203081733,
"volume": 192.64530313007182,
"volume_molar": 7.250857076263507,
"formula_full": "Ca2 Ti1 Si2 Sn1 O10",
"formula_reduced": "Ca2TiSi2SnO10",
"formula_anonymous": "ABC2D2E10",
"energy_above_hull": 2.445268942083333,
"spacegroup": 2
},
{
"id": "jvasp-117237",
"created_at": "2022-09-04T14:38:49.563159Z",
"updated_at": "2022-09-04T14:38:49.563181Z",
"structure_string": "Ca8 Ru2 N8\n1.0\n5.920323 -0.015455 1.230553\n1.700225 5.330127 2.186298\n0.005258 0.036112 8.657060\nCa Ru N\n8 2 8\ndirect\n0.783642 0.582240 0.153044 Ca\n0.216357 0.417759 0.846956 Ca\n0.725843 0.210080 0.981126 Ca\n0.274156 0.789919 0.018875 Ca\n0.733249 0.487862 0.569234 Ca\n0.266750 0.512137 0.430766 Ca\n0.209041 0.952735 0.621010 Ca\n0.790959 0.047264 0.378990 Ca\n0.299094 0.141276 0.242915 Ru\n0.700906 0.858724 0.757085 Ru\n0.981821 0.683001 0.617618 N\n0.018178 0.316998 0.382382 N\n0.946274 0.844955 0.888829 N\n0.053725 0.155044 0.111172 N\n0.520226 0.621053 0.797019 N\n0.479773 0.378947 0.202981 N\n0.508025 0.830843 0.336234 N\n0.491974 0.169156 0.663766 N\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ca-N-Ru",
"density": 3.8615461025432096,
"density_atomic": 0.06593798524143898,
"volume": 272.98377307239633,
"volume_molar": 9.133037259099268,
"formula_full": "Ca8 Ru2 N8",
"formula_reduced": "Ca4RuN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.979052797777777,
"spacegroup": 2
},
{
"id": "jvasp-119041",
"created_at": "2022-09-04T14:38:49.584629Z",
"updated_at": "2022-09-04T14:38:49.584653Z",
"structure_string": "Ca16 In6\n1.0\n9.323021 -0.004312 -1.813541\n-5.115795 7.945005 -1.479464\n-0.011372 -0.020498 9.636640\nCa In\n16 6\ndirect\n0.921125 0.769163 0.391880 Ca\n0.228013 0.846854 0.202850 Ca\n0.537753 0.705337 0.794260 Ca\n0.961079 0.061272 0.171267 Ca\n0.038921 0.938728 0.828734 Ca\n0.771988 0.153146 0.797151 Ca\n0.879355 0.399494 0.146042 Ca\n0.667612 0.120852 0.388016 Ca\n0.462247 0.294663 0.205740 Ca\n0.332388 0.879147 0.611985 Ca\n0.297923 0.501436 0.387180 Ca\n0.120645 0.600505 0.853959 Ca\n0.533644 0.703002 0.149200 Ca\n0.466357 0.296997 0.850801 Ca\n0.702077 0.498564 0.612820 Ca\n0.078875 0.230836 0.608120 Ca\n0.500000 0.000000 0.000000 In\n0.826775 0.662090 -0.000132 In\n0.676125 0.838881 0.525389 In\n0.000000 0.500000 0.500000 In\n0.173225 0.337910 0.000133 In\n0.323876 0.161119 0.474612 In\n",
"nsites": 22,
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"elements": [
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"In"
],
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"density": 3.0980777549343377,
"density_atomic": 0.03085768340750338,
"volume": 712.9504736136629,
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"formula_full": "Ca16 In6",
"formula_reduced": "Ca8In3",
"formula_anonymous": "A3B8",
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"spacegroup": 2
}
]
}