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{
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"results": [
{
"id": "jvasp-49926",
"created_at": "2022-09-04T14:37:56.397890Z",
"updated_at": "2022-09-04T14:37:56.397908Z",
"structure_string": "Na4 Tm4 O8\n1.0\n-4.817695 -0.000000 -3.286177\n0.072070 6.518781 -3.288646\n4.961836 0.000000 -3.291114\nNa Tm O\n4 4 8\ndirect\n0.805561 0.388879 0.055562 Na\n0.430041 0.139917 0.180042 Na\n0.569958 0.860083 0.819959 Na\n0.194439 0.611121 0.944439 Na\n0.943357 0.113284 0.693359 Tm\n0.682762 0.634475 0.432763 Tm\n0.317238 0.365525 0.567238 Tm\n0.056642 0.886716 0.306642 Tm\n0.940674 0.626870 0.231232 O\n0.830965 0.876130 0.542186 O\n0.292906 0.876130 0.081685 O\n0.567544 0.373130 0.358101 O\n0.432456 0.626870 0.641900 O\n0.707094 0.123870 0.918316 O\n0.169035 0.123870 0.457815 O\n0.059325 0.373130 0.768769 O\n",
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{
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"updated_at": "2022-09-04T14:37:56.486003Z",
"structure_string": "Mg4 Ge4 O12\n1.0\n5.164446 -0.032690 0.730838\n0.871541 6.529512 0.474538\n-0.037173 0.011109 6.604376\nMg Ge O\n4 4 12\ndirect\n0.250000 0.729990 0.270010 Mg\n0.750001 0.270009 0.729991 Mg\n0.250001 0.091914 0.908087 Mg\n0.750001 0.908086 0.091914 Mg\n0.290272 0.204989 0.396169 Ge\n0.709730 0.795011 0.603832 Ge\n0.790272 0.396169 0.204989 Ge\n0.209729 0.603831 0.795012 Ge\n0.370282 0.024898 0.205365 O\n0.129719 0.794635 0.975103 O\n0.600607 0.291023 0.433732 O\n0.616454 0.627911 0.138385 O\n0.883547 0.861615 0.372089 O\n0.383547 0.372089 0.861616 O\n0.116454 0.138385 0.627912 O\n0.100606 0.433732 0.291023 O\n0.399394 0.708977 0.566269 O\n0.899395 0.566268 0.708978 O\n0.870282 0.205364 0.024898 O\n0.629720 0.975102 0.794636 O\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.08966430369095103,
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"formula_full": "Mg4 Ge4 O12",
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"spacegroup": 15
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{
"id": "jvasp-30761",
"created_at": "2022-09-04T14:37:57.089699Z",
"updated_at": "2022-09-04T14:37:57.089721Z",
"structure_string": "Mg2 Ge4 W2 O12\n1.0\n4.912577 -0.327746 0.743434\n0.481891 7.589628 1.607857\n-0.875216 0.979134 7.661279\nMg Ge W O\n2 4 2 12\ndirect\n0.750000 0.387111 0.612889 Mg\n0.250000 0.612888 0.387112 Mg\n0.688325 0.426831 0.197302 Ge\n0.811675 0.802697 0.573169 Ge\n0.311674 0.573168 0.802698 Ge\n0.188325 0.197302 0.426831 Ge\n0.750000 0.895629 0.104371 W\n0.249999 0.104370 0.895629 W\n0.541311 0.961516 0.857833 O\n0.958689 0.142167 0.038483 O\n0.555539 0.676416 0.182137 O\n0.944461 0.817863 0.323584 O\n0.444461 0.323583 0.817863 O\n0.014979 0.569613 0.652329 O\n0.985020 0.430386 0.347671 O\n0.514979 0.652328 0.569614 O\n0.041311 0.857832 0.961517 O\n0.485020 0.347671 0.430387 O\n0.055539 0.182136 0.676416 O\n0.458689 0.038483 0.142167 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.2393748491093435,
"density_atomic": 0.07020638724957025,
"volume": 284.874365189934,
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"formula_full": "Mg2 Ge4 W2 O12",
"formula_reduced": "MgGe2WO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-29621",
"created_at": "2022-09-04T14:37:57.511923Z",
"updated_at": "2022-09-04T14:37:57.511948Z",
"structure_string": "Ag2 Au2 Cl8\n1.0\n4.070611 -0.000082 0.722898\n2.035774 6.194064 0.357906\n0.025563 -0.153307 11.676579\nAg Au Cl\n2 2 8\ndirect\n0.487431 0.749969 0.250013 Ag\n0.512567 0.250031 0.749988 Ag\n0.000000 0.000000 0.000000 Au\n-0.000001 0.499999 0.500000 Au\n0.859146 0.333037 0.909114 Cl\n0.101276 0.166951 0.590875 Cl\n0.184098 0.631277 0.650947 Cl\n0.466284 0.868744 0.849058 Cl\n0.815901 0.368722 0.349054 Cl\n0.140853 0.666962 0.090886 Cl\n0.898722 0.833048 0.409126 Cl\n0.533715 0.131255 0.150943 Cl\n",
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"volume": 294.2941074847389,
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{
"id": "jvasp-38009",
"created_at": "2022-09-04T14:37:57.546940Z",
"updated_at": "2022-09-04T14:37:57.546966Z",
"structure_string": "Nd4 O10\n1.0\n5.286721 0.000000 -2.026300\n-0.839433 5.499916 -2.190124\n-0.220816 -0.856676 7.333695\nNd O\n4 10\ndirect\n0.678996 0.840156 0.780565 Nd\n0.898433 0.659844 0.219436 Nd\n0.321004 0.159844 0.219435 Nd\n0.101566 0.340156 0.780564 Nd\n0.382054 0.656672 0.377470 O\n0.004583 0.843328 0.622530 O\n0.617945 0.343328 0.622530 O\n0.995416 0.156672 0.377470 O\n0.946006 0.250000 0.000000 O\n0.053994 0.750001 0.000001 O\n0.474856 0.522047 0.196553 O\n0.278303 0.977953 0.803447 O\n0.525144 0.477953 0.803447 O\n0.721697 0.022046 0.196553 O\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.0702102036535936,
"volume": 199.40121622597562,
"volume_molar": 8.57730137020015,
"formula_full": "Nd4 O10",
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"formula_anonymous": "A2B5",
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"spacegroup": 15
},
{
"id": "jvasp-56863",
"created_at": "2022-09-04T14:37:57.582866Z",
"updated_at": "2022-09-04T14:37:57.582874Z",
"structure_string": "Ba4 Li6 Nb2 N8\n1.0\n5.681033 -0.000104 0.000035\n2.840398 5.648501 0.007530\n2.840503 0.322490 9.740222\nBa Li Nb N\n4 6 2 8\ndirect\n0.631607 0.193056 0.611458 Ba\n0.063875 0.693051 0.111458 Ba\n0.368392 0.806945 0.388542 Ba\n0.936123 0.306950 0.888542 Ba\n0.387515 0.249992 0.249991 Li\n0.529412 0.811419 0.043334 Li\n0.884176 0.688575 0.456666 Li\n0.470587 0.188581 0.956666 Li\n0.115823 0.311425 0.543334 Li\n0.612483 0.750009 0.750010 Li\n0.865413 0.249996 0.250001 Nb\n0.134586 0.750004 0.750000 Nb\n0.738157 0.005562 0.338682 N\n0.785900 0.889375 0.887549 N\n0.937159 0.389378 0.387554 N\n0.582416 0.494423 0.161318 N\n0.214099 0.110626 0.112452 N\n0.261842 0.994439 0.661318 N\n0.417582 0.505577 0.838683 N\n0.062840 0.610623 0.612446 N\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.0639906509538636,
"volume": 312.5456563087588,
"volume_molar": 9.410969681089638,
"formula_full": "Ba4 Li6 Nb2 N8",
"formula_reduced": "Ba2Li3NbN4",
"formula_anonymous": "AB2C3D4",
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"spacegroup": 15
},
{
"id": "jvasp-54735",
"created_at": "2022-09-04T14:37:58.217956Z",
"updated_at": "2022-09-04T14:37:58.217975Z",
"structure_string": "Sr2 H8 O12\n1.0\n3.868153 4.350697 0.192388\n-3.868153 4.350697 -0.192388\n-0.098682 0.000000 6.028506\nSr H O\n2 8 12\ndirect\n0.812354 0.812325 0.749816 Sr\n0.187675 0.187647 0.249815 Sr\n-0.012186 0.679117 0.245201 H\n0.679127 -0.012241 0.254432 H\n0.012242 0.320873 0.754432 H\n0.320883 0.012186 0.745202 H\n0.387316 0.703575 0.426369 H\n0.296426 0.612685 0.926369 H\n0.612726 0.296351 0.573275 H\n0.703650 0.387275 0.073274 H\n0.458936 0.097330 0.580036 O\n0.097394 0.458919 0.919586 O\n0.402536 0.743214 0.932609 O\n0.743235 0.402483 0.567049 O\n0.597518 0.256766 0.067049 O\n0.061305 0.771732 0.378421 O\n0.228269 0.938696 0.878421 O\n0.938734 0.228227 0.621226 O\n0.771773 0.061267 0.121226 O\n0.902671 0.541065 0.080036 O\n0.256787 0.597465 0.432609 O\n0.541081 0.902607 0.419586 O\n",
"nsites": 22,
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"elements": [
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"volume": 203.07460198500587,
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"formula_full": "Sr2 H8 O12",
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"formula_anonymous": "AB4C6",
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"spacegroup": 15
},
{
"id": "jvasp-25629",
"created_at": "2022-09-04T14:37:58.313637Z",
"updated_at": "2022-09-04T14:37:58.313666Z",
"structure_string": "Ca2 Mn2 F10\n1.0\n5.126684 0.000143 -2.004208\n-2.110107 5.044372 -0.633632\n-0.240700 0.012787 7.616441\nCa Mn F\n2 2 10\ndirect\n0.297301 0.547301 0.750000 Ca\n0.702698 0.452698 0.250000 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.320658 0.070658 0.250000 F\n0.679341 0.929342 0.750000 F\n0.579485 0.744217 0.381897 F\n0.862318 0.197588 0.118102 F\n0.753034 0.689432 0.026936 F\n0.162495 0.726098 0.473063 F\n0.246964 0.310568 0.973063 F\n0.837503 0.273901 0.526936 F\n0.137680 0.802411 0.881897 F\n0.420513 0.255782 0.618103 F\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.2421699223651324,
"density_atomic": 0.07193043537741232,
"volume": 194.63249355496458,
"volume_molar": 8.37217337612707,
"formula_full": "Ca2 Mn2 F10",
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"formula_anonymous": "ABC5",
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{
"id": "jvasp-30762",
"created_at": "2022-09-04T14:37:57.996450Z",
"updated_at": "2022-09-04T14:37:57.996484Z",
"structure_string": "Zn2 Ge4 W2 O12\n1.0\n4.887977 -0.438758 0.616691\n0.445564 7.627465 1.603978\n-0.918950 0.980887 7.690441\nZn Ge W O\n2 4 2 12\ndirect\n0.750000 0.365962 0.634038 Zn\n0.250000 0.634038 0.365962 Zn\n0.709091 0.419975 0.197204 Ge\n0.790909 0.802795 0.580025 Ge\n0.290909 0.580025 0.802796 Ge\n0.209091 0.197204 0.419975 Ge\n0.750000 0.893678 0.106322 W\n0.250000 0.106322 0.893678 W\n0.535810 0.965828 0.857201 O\n0.964190 0.142799 0.034172 O\n0.562499 0.671957 0.176962 O\n0.937501 0.823038 0.328043 O\n0.437501 0.328043 0.823038 O\n0.962164 0.563493 0.675713 O\n0.037836 0.436507 0.324287 O\n0.462164 0.675713 0.563493 O\n0.035810 0.857200 0.965829 O\n0.537836 0.324286 0.436507 O\n0.062499 0.176962 0.671957 O\n0.464189 0.034172 0.142799 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 285.7736112033605,
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"formula_full": "Zn2 Ge4 W2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-25888",
"created_at": "2022-09-04T14:37:58.003820Z",
"updated_at": "2022-09-04T14:37:58.003843Z",
"structure_string": "Ta4 Sn2 O12\n1.0\n4.906068 0.000103 -0.000362\n-0.000278 5.599299 0.008330\n-2.452182 -0.204224 8.684375\nTa Sn O\n4 2 12\ndirect\n0.073438 0.838041 0.660827 Ta\n0.587411 0.338047 0.660825 Ta\n0.413236 0.665889 0.340465 Ta\n0.927207 0.165897 0.340463 Ta\n0.235158 0.251962 0.000642 Sn\n0.765489 0.751953 0.000652 Sn\n0.843347 0.149932 0.562750 O\n0.992237 0.097559 0.146348 O\n0.281248 0.353999 0.438543 O\n0.008395 0.906356 0.854937 O\n0.154104 0.597559 0.146353 O\n0.719406 0.649933 0.562746 O\n0.602826 0.931316 0.287460 O\n0.157290 0.854000 0.438539 O\n0.316037 0.572641 0.713833 O\n0.684629 0.431318 0.287458 O\n0.846550 0.406357 0.854932 O\n0.397799 0.072642 0.713831 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 8.026818171343832,
"density_atomic": 0.07545023072670565,
"volume": 238.56785892675728,
"volume_molar": 7.981606818159749,
"formula_full": "Ta4 Sn2 O12",
"formula_reduced": "Ta2SnO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-58433",
"created_at": "2022-09-04T14:37:58.222934Z",
"updated_at": "2022-09-04T14:37:58.222948Z",
"structure_string": "Al4 Si2 O10\n1.0\n4.717194 0.000000 0.000000\n-2.358597 4.408935 -1.749872\n0.000000 -0.024430 6.675149\nAl Si O\n4 2 10\ndirect\n0.875633 0.232393 0.272299 Al\n0.143240 0.767606 0.227701 Al\n0.856758 0.232393 0.772299 Al\n0.124365 0.767606 0.727701 Al\n0.499999 0.499999 0.500000 Si\n0.499999 0.499999 0.000000 Si\n0.312198 0.499999 0.750000 O\n0.687800 0.499999 0.250000 O\n0.907897 0.663311 0.952172 O\n0.744586 0.336688 0.547828 O\n0.092101 0.336688 0.047828 O\n0.255412 0.663311 0.452172 O\n0.536772 0.860627 0.145392 O\n0.176145 0.139372 0.354608 O\n0.463226 0.139372 0.854608 O\n0.823853 0.860627 0.645392 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.11541782437446882,
"volume": 138.6267683238301,
"volume_molar": 5.217686949687589,
"formula_full": "Al4 Si2 O10",
"formula_reduced": "Al2SiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3152152125,
"spacegroup": 15
},
{
"id": "jvasp-24261",
"created_at": "2022-09-04T14:37:59.079453Z",
"updated_at": "2022-09-04T14:37:59.079480Z",
"structure_string": "Rb4 Mo6 O20\n1.0\n8.088529 0.000000 0.000000\n-4.044265 7.019632 -1.043394\n0.000000 -0.002111 9.223810\nRb Mo O\n4 6 20\ndirect\n0.769777 0.365342 0.156627 Rb\n0.404435 0.634658 0.343373 Rb\n0.230222 0.634658 0.843373 Rb\n0.595564 0.365342 0.656627 Rb\n0.293677 0.000000 0.250000 Mo\n0.817631 0.783482 0.977579 Mo\n0.706324 0.000000 0.750000 Mo\n0.182369 0.216518 0.022421 Mo\n0.965851 0.783482 0.477579 Mo\n0.034149 0.216518 0.522421 Mo\n0.949338 0.282479 0.382757 O\n0.478969 0.104305 0.384025 O\n0.374663 0.895695 0.115976 O\n0.856544 0.595953 0.917313 O\n0.260591 0.404047 0.582688 O\n0.143456 0.404047 0.082688 O\n0.739408 0.595952 0.417313 O\n0.666858 0.717521 0.117244 O\n0.333142 0.282479 0.882756 O\n0.891618 0.949709 0.592214 O\n0.058090 0.949709 0.092214 O\n0.108381 0.050291 0.407786 O\n0.941910 0.050291 0.907786 O\n0.625336 0.104305 0.884025 O\n0.648866 0.759690 0.818588 O\n0.889177 0.240310 0.681413 O\n0.351133 0.240310 0.181413 O\n0.110823 0.759690 0.318588 O\n0.050662 0.717521 0.617244 O\n0.521031 0.895695 0.615976 O\n",
"nsites": 30,
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"elements": [
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],
"chemical_system": "Mo-O-Rb",
"density": 3.9238695261031262,
"density_atomic": 0.05728511489518597,
"volume": 523.6962525935527,
"volume_molar": 10.51257516200963,
"formula_full": "Rb4 Mo6 O20",
"formula_reduced": "Rb2Mo3O10",
"formula_anonymous": "A2B3C10",
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"spacegroup": 15
}
]
}