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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4491",
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"results": [
{
"id": "jvasp-119265",
"created_at": "2022-09-04T14:38:28.838754Z",
"updated_at": "2022-09-04T14:38:28.838776Z",
"structure_string": "Li6 Ni4 Sn2 O12\n1.0\n5.873405 0.002175 1.361734\n3.240652 5.799416 -0.597930\n0.000067 0.054989 6.658022\nLi Ni Sn O\n6 4 2 12\ndirect\n0.750220 0.833392 0.335060 Li\n0.249779 0.833279 0.331609 Li\n0.753466 0.500009 0.974805 Li\n0.243256 0.525991 0.981061 Li\n0.756740 0.140679 0.685605 Li\n0.246525 0.166658 0.691860 Li\n0.510563 0.984298 0.993158 Ni\n0.489438 0.682370 0.673508 Ni\n0.005651 0.990377 0.994001 Ni\n0.994349 0.676292 0.672665 Ni\n0.000000 0.333334 0.333333 Sn\n0.500002 0.333333 0.333332 Sn\n0.864748 0.095906 0.351027 O\n0.647976 0.229454 0.006755 O\n0.121245 0.225521 0.006405 O\n0.878758 0.441147 0.660260 O\n0.352024 0.437216 0.659910 O\n0.646937 0.895431 0.675084 O\n0.122147 0.893959 0.669230 O\n0.877852 0.772711 -0.002564 O\n0.353066 0.771236 0.991581 O\n0.628365 0.578036 0.330468 O\n0.135251 0.570765 0.315639 O\n0.371634 0.088633 0.336198 O\n",
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"formula_full": "Li6 Ni4 Sn2 O12",
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{
"id": "jvasp-9490",
"created_at": "2022-09-04T14:38:28.821957Z",
"updated_at": "2022-09-04T14:38:28.821984Z",
"structure_string": "Mg2 Fe2 F10\n1.0\n4.988990 -0.477777 1.266405\n-1.694842 4.863860 1.513334\n0.754158 -0.606519 7.460903\nMg Fe F\n2 2 10\ndirect\n0.697221 0.475133 0.769453 Mg\n0.306841 0.527929 0.228766 Mg\n0.002029 0.001538 -0.000894 Fe\n0.502030 0.001512 0.499108 Fe\n0.624841 0.864779 0.258296 F\n0.379220 0.138254 0.739938 F\n0.465875 0.295203 0.343281 F\n0.158410 0.780906 0.121369 F\n0.256703 0.317030 0.038667 F\n0.902260 0.264752 0.438672 F\n0.747306 0.686040 -0.040440 F\n0.101787 0.738300 0.559551 F\n0.845567 0.222125 0.876885 F\n0.538140 0.707800 0.654943 F\n",
"nsites": 14,
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"density_atomic": 0.0796843109977248,
"volume": 175.6933055542105,
"volume_molar": 7.557498690265324,
"formula_full": "Mg2 Fe2 F10",
"formula_reduced": "MgFeF5",
"formula_anonymous": "ABC5",
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{
"id": "jvasp-10870",
"created_at": "2022-09-04T14:38:29.216900Z",
"updated_at": "2022-09-04T14:38:29.216927Z",
"structure_string": "Li8 Si2 O8\n1.0\n5.022365 0.004164 0.000936\n1.858880 4.669313 -0.004312\n2.453927 0.045953 7.100265\nLi Si O\n8 2 8\ndirect\n0.762661 0.735057 0.006199 Li\n0.237341 0.264941 0.993802 Li\n0.510215 0.761908 0.445219 Li\n0.489788 0.238090 0.554782 Li\n0.080741 0.250524 0.408382 Li\n0.919262 0.749474 0.591618 Li\n0.610817 0.212758 0.194472 Li\n0.389185 0.787240 0.805529 Li\n0.158775 0.782347 0.235629 Si\n0.841227 0.217650 0.764371 Si\n0.637971 0.010257 0.806431 O\n0.362031 0.989741 0.193569 O\n0.301041 0.518639 0.374073 O\n0.698961 0.481359 0.625927 O\n0.817168 0.969108 0.369313 O\n0.182834 0.030890 0.630688 O\n0.151520 0.665056 0.044525 O\n0.848482 0.334942 0.955475 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.3913297569084877,
"density_atomic": 0.1081447274418032,
"volume": 166.44362074597197,
"volume_molar": 5.568593959646107,
"formula_full": "Li8 Si2 O8",
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{
"id": "jvasp-24301",
"created_at": "2022-09-04T14:38:28.922773Z",
"updated_at": "2022-09-04T14:38:28.922804Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
"nsites": 34,
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"elements": [
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],
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"density": 5.662302708858507,
"density_atomic": 0.08178199099042041,
"volume": 415.7394505592633,
"volume_molar": 7.363651443391013,
"formula_full": "Sr2 Bi4 B8 O20",
"formula_reduced": "SrBi2(B2O5)2",
"formula_anonymous": "AB2C4D10",
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"spacegroup": 2
},
{
"id": "jvasp-52212",
"created_at": "2022-09-04T14:38:28.927868Z",
"updated_at": "2022-09-04T14:38:28.927906Z",
"structure_string": "Li4 Cu1 P2 O8\n1.0\n4.659541 0.181329 -0.097637\n-1.115975 5.619771 0.122584\n-0.533465 -0.775219 5.730939\nLi Cu P O\n4 1 2 8\ndirect\n0.179110 0.270364 0.596890 Li\n0.213063 0.512677 0.168466 Li\n0.786937 0.487323 0.831533 Li\n0.820890 0.729636 0.403108 Li\n0.000000 0.000000 0.000000 Cu\n0.368075 0.777049 0.709479 P\n0.631924 0.222951 0.290520 P\n0.237901 0.582249 0.854815 O\n0.251461 0.704315 0.450838 O\n0.289336 0.202405 0.260943 O\n0.283722 0.022815 0.788137 O\n0.716278 0.977185 0.211862 O\n0.710664 0.797595 0.739056 O\n0.748539 0.295685 0.549161 O\n0.762099 0.417751 0.145184 O\n",
"nsites": 15,
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"elements": [
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"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.0871708954394044,
"density_atomic": 0.09915305401061351,
"volume": 151.2812706545012,
"volume_molar": 6.073580708220424,
"formula_full": "Li4 Cu1 P2 O8",
"formula_reduced": "Li4Cu(PO4)2",
"formula_anonymous": "AB2C4D8",
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{
"id": "jvasp-26771",
"created_at": "2022-09-04T14:38:29.042955Z",
"updated_at": "2022-09-04T14:38:29.042990Z",
"structure_string": "Rb4 U2 Si8 O24\n1.0\n-6.878943 0.071499 -0.003927\n1.775297 8.012948 -0.013216\n-0.209584 -3.231670 -10.785711\nRb U Si O\n4 2 8 24\ndirect\n0.194061 0.298069 0.991157 Rb\n0.830862 0.743663 0.655243 Rb\n0.805937 0.701931 0.008844 Rb\n0.169137 0.256338 0.344758 Rb\n0.322392 0.713242 0.831201 U\n0.677607 0.286759 0.168800 U\n0.618719 0.131231 0.830651 Si\n0.700325 0.250321 0.482713 Si\n0.964935 0.325113 0.711020 Si\n0.678043 0.861163 0.380325 Si\n0.381280 0.868769 0.169350 Si\n0.321956 0.138838 0.619676 Si\n0.299673 0.749679 0.517288 Si\n0.035064 0.674888 0.288981 Si\n0.629269 0.264047 0.968452 O\n0.504570 0.568528 0.800095 O\n0.146327 0.865764 0.864746 O\n0.168278 0.628426 0.390694 O\n0.853672 0.134236 0.135254 O\n0.534438 0.797835 0.483667 O\n0.728184 0.345767 0.375958 O\n0.830182 0.168854 0.760237 O\n0.440614 0.167287 0.749538 O\n0.145276 0.244889 0.635486 O\n0.781505 0.067125 0.439844 O\n0.577184 0.927825 0.826884 O\n0.831720 0.371575 0.609306 O\n0.854722 0.755112 0.364515 O\n0.465560 0.202166 0.516334 O\n0.370729 0.735953 0.031549 O\n0.495429 0.431473 0.199905 O\n0.169816 0.831146 0.239764 O\n0.948795 0.505018 0.176193 O\n0.422815 0.072176 0.173116 O\n0.559384 0.832713 0.250462 O\n0.051204 0.494983 0.823808 O\n0.218493 0.932876 0.560156 O\n0.271815 0.654233 0.624043 O\n",
"nsites": 38,
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],
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"density_atomic": 0.06373764463605174,
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"volume_molar": 9.448326486469684,
"formula_full": "Rb4 U2 Si8 O24",
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{
"id": "jvasp-46443",
"created_at": "2022-09-04T14:38:29.237637Z",
"updated_at": "2022-09-04T14:38:29.237654Z",
"structure_string": "Li6 Cr3 Fe3 O12\n1.0\n-5.042962 -0.002962 0.023969\n-0.009837 -5.672877 -0.011749\n2.475078 1.430079 7.044325\nLi Cr Fe O\n6 3 3 12\ndirect\n0.005554 0.754455 0.502359 Li\n-0.005554 0.245545 0.497641 Li\n0.000587 0.920922 0.167473 Li\n0.001276 0.412969 0.167193 Li\n-0.000587 0.079078 0.832526 Li\n-0.001277 0.587031 0.832806 Li\n0.500000 0.500000 0.500000 Cr\n0.499603 0.675628 0.166447 Cr\n0.500397 0.324372 0.833552 Cr\n0.500065 0.160720 0.166213 Fe\n0.499934 0.839280 0.833787 Fe\n0.499999 -0.000000 0.500000 Fe\n0.724115 0.624911 0.993319 O\n0.268923 0.039133 0.667223 O\n0.275988 0.544302 0.673877 O\n0.724853 0.794241 0.663205 O\n0.730250 0.289804 0.662634 O\n0.269749 0.710195 0.337365 O\n0.731076 0.960866 0.332776 O\n0.275147 0.205758 0.336795 O\n0.268310 0.878571 0.000813 O\n0.724012 0.455698 0.326122 O\n0.275885 0.375089 0.006681 O\n0.731690 0.121429 0.999186 O\n",
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"formula_full": "Li6 Cr3 Fe3 O12",
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"spacegroup": 2
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{
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"created_at": "2022-09-04T14:38:29.296938Z",
"updated_at": "2022-09-04T14:38:29.296949Z",
"structure_string": "Na2 Er2 P4 S12\n1.0\n6.870589 -0.021137 0.019367\n0.259062 7.062878 -0.049517\n0.345416 0.465865 9.107299\nNa Er P S\n2 2 4 12\ndirect\n0.465105 0.397611 0.271645 Na\n0.534895 0.602387 0.728355 Na\n0.976384 0.119333 0.746707 Er\n0.023617 0.880667 0.253293 Er\n0.349868 0.961418 0.971057 P\n0.650132 0.038582 0.028943 P\n0.932527 0.390483 0.434674 P\n0.067474 0.609517 0.565326 P\n0.700616 0.294448 0.929931 S\n0.299384 0.705552 0.070069 S\n0.351250 0.970023 0.747713 S\n0.145951 0.178929 0.437914 S\n0.701599 0.295299 0.561446 S\n0.836039 0.833021 0.947303 S\n0.870259 0.519341 0.238917 S\n0.298401 0.704700 0.438554 S\n0.648751 0.029976 0.252287 S\n0.129741 0.480658 0.761083 S\n0.854049 0.821070 0.562086 S\n0.163962 0.166979 0.052697 S\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:38:29.733570Z",
"updated_at": "2022-09-04T14:38:29.733587Z",
"structure_string": "V2 Sn2 P2 O10\n1.0\n5.302298 0.016885 -0.006615\n-0.567087 6.488782 0.022614\n-2.084643 -2.863030 5.876169\nV Sn P O\n2 2 2 10\ndirect\n0.839505 0.366705 0.242477 V\n0.160495 0.633294 0.757521 V\n0.411899 0.218570 0.458837 Sn\n0.588100 0.781430 0.541162 Sn\n0.827261 0.809495 0.104760 P\n0.172739 0.190505 0.895239 P\n0.220106 0.502656 0.459218 O\n0.893780 0.067508 0.274161 O\n0.921884 0.243267 0.957753 O\n0.078116 0.756732 0.042246 O\n0.106220 0.932492 0.725837 O\n0.762378 0.661908 0.222342 O\n0.237622 0.338092 0.777657 O\n0.575943 0.761707 0.889875 O\n0.779893 0.497344 0.540781 O\n0.424057 0.238292 0.110123 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.07902373368831442,
"volume": 202.4708179837115,
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"formula_full": "V2 Sn2 P2 O10",
"formula_reduced": "VSnPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
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{
"id": "jvasp-31900",
"created_at": "2022-09-04T14:38:29.945567Z",
"updated_at": "2022-09-04T14:38:29.945600Z",
"structure_string": "Nb2 Te8 I12\n1.0\n7.547478 0.188301 -2.340290\n-2.736860 9.788761 -4.120818\n-0.135647 -0.147704 12.125172\nNb Te I\n2 8 12\ndirect\n0.489243 0.346909 0.458421 Nb\n0.510757 0.653092 0.541579 Nb\n0.569814 0.855424 0.803756 Te\n0.737962 0.519222 0.420158 Te\n0.262038 0.480778 0.579841 Te\n0.519221 0.210280 0.627379 Te\n0.794002 0.556175 0.665548 Te\n0.480779 0.789721 0.372620 Te\n0.430186 0.144576 0.196244 Te\n0.205997 0.443826 0.334451 Te\n0.141107 0.183414 0.016674 I\n0.244006 0.829710 0.552059 I\n0.841368 0.352716 0.858009 I\n0.858893 0.816586 0.983326 I\n0.279324 0.270173 0.760276 I\n0.808443 0.911732 0.648651 I\n0.692934 0.225124 0.107540 I\n0.191557 0.088269 0.351349 I\n0.158632 0.647285 0.141991 I\n0.307066 0.774876 0.892459 I\n0.720676 0.729827 0.239724 I\n0.755994 0.170290 0.447941 I\n",
"nsites": 22,
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"elements": [
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"density": 5.07250667591455,
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{
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"created_at": "2022-09-04T14:38:30.014287Z",
"updated_at": "2022-09-04T14:38:30.014314Z",
"structure_string": "In2 P2 H4 O10\n1.0\n5.455107 -0.005643 -0.022942\n-1.635469 5.321089 -0.018991\n-0.526353 -1.057879 6.483888\nIn P H O\n2 2 4 10\ndirect\n0.140429 0.732393 0.222265 In\n0.859573 0.267608 0.777736 In\n0.768632 0.124511 0.255245 P\n0.231369 0.875490 0.744756 P\n0.585989 0.628360 0.214320 H\n0.414012 0.371641 0.785681 H\n0.408133 0.353380 0.261660 H\n0.591869 0.646621 0.738341 H\n0.924840 0.229847 0.467881 O\n0.075162 0.770154 0.532120 O\n0.527131 0.930220 0.743873 O\n0.472870 0.069781 0.256128 O\n0.141456 0.661347 0.882649 O\n0.822980 0.879531 0.155855 O\n0.858545 0.338654 0.117352 O\n0.425492 0.538547 0.269768 O\n0.177022 0.120470 0.844145 O\n0.574509 0.461454 0.730232 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.025629325963527,
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"volume": 187.93509136775123,
"volume_molar": 6.28761985533366,
"formula_full": "In2 P2 H4 O10",
"formula_reduced": "InPH2O5",
"formula_anonymous": "ABC2D5",
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{
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"created_at": "2022-09-04T14:38:30.450535Z",
"updated_at": "2022-09-04T14:38:30.450559Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.313943 0.026095 -0.076156\n-0.146171 9.249209 0.020547\n-3.062022 -3.212645 10.285143\nNb Te Cl\n2 2 18\ndirect\n0.118796 0.255737 0.702407 Nb\n0.881203 0.744262 0.297593 Nb\n0.301380 0.322549 0.168134 Te\n0.698619 0.677450 0.831866 Te\n0.378717 0.143152 0.607309 Cl\n0.621283 0.856847 0.392691 Cl\n0.399747 0.302685 0.917481 Cl\n0.600253 0.697314 0.082518 Cl\n0.877962 0.392895 0.829556 Cl\n0.122037 0.607104 0.170443 Cl\n0.972759 0.035871 0.721214 Cl\n0.027241 0.964128 0.278786 Cl\n0.746564 0.490594 0.294587 Cl\n0.057481 0.804953 0.937795 Cl\n0.849862 0.245374 0.509575 Cl\n0.150137 0.754625 0.490425 Cl\n0.719046 0.639517 0.618748 Cl\n0.280954 0.360482 0.381252 Cl\n0.520285 0.902820 0.834617 Cl\n0.479714 0.097179 0.165382 Cl\n0.253436 0.509405 0.705412 Cl\n0.942518 0.195046 0.062204 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Cl"
],
"chemical_system": "Cl-Nb-Te",
"density": 2.992131796305705,
"density_atomic": 0.036733790321074676,
"volume": 598.9036200105465,
"volume_molar": 16.394008642623017,
"formula_full": "Nb2 Te2 Cl18",
"formula_reduced": "NbTeCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7158967067424241,
"spacegroup": 2
}
]
}