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{
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"results": [
{
"id": "jvasp-43511",
"created_at": "2022-09-04T14:37:17.428230Z",
"updated_at": "2022-09-04T14:37:17.428254Z",
"structure_string": "Mg4 Co4 O12\n1.0\n4.646299 4.245109 0.945757\n-4.646299 4.245109 -0.945757\n-0.623837 0.000000 4.900827\nMg Co O\n4 4 12\ndirect\n0.178624 0.606254 0.775133 Mg\n0.393748 0.821376 0.275133 Mg\n0.606254 0.178625 0.724867 Mg\n0.821376 0.393748 0.224867 Mg\n0.084222 0.084222 0.750000 Co\n0.736575 0.736576 0.750000 Co\n0.263425 0.263425 0.250000 Co\n0.915778 0.915778 0.250000 Co\n0.884787 0.663635 0.043953 O\n0.724700 0.471136 0.605271 O\n0.336365 0.115214 0.543953 O\n0.528865 0.275301 0.105270 O\n0.471135 0.724700 0.894730 O\n0.185100 0.980236 0.070695 O\n0.275300 0.528865 0.394730 O\n0.115213 0.336365 0.956048 O\n0.814900 0.019765 0.929306 O\n0.019765 0.814901 0.570695 O\n0.663635 0.884787 0.456048 O\n0.980236 0.185100 0.429306 O\n",
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"density": 4.394996961952445,
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"spacegroup": 15
},
{
"id": "jvasp-85217",
"created_at": "2022-09-04T14:37:17.523435Z",
"updated_at": "2022-09-04T14:37:17.523459Z",
"structure_string": "Ce2 Sm2 I8\n1.0\n7.049138 0.143945 -2.463610\n-2.662299 6.861575 -3.239545\n-0.189625 0.075239 8.807123\nCe Sm I\n2 2 8\ndirect\n0.242268 0.492193 0.984624 Ce\n0.757733 0.507809 0.015376 Ce\n0.115610 0.865709 0.730977 Sm\n0.884392 0.134292 0.269023 Sm\n0.131675 0.874899 0.122315 I\n0.490869 0.247626 0.122196 I\n0.288295 0.185601 0.631151 I\n0.157063 0.554603 0.368940 I\n0.842938 0.445398 0.631060 I\n0.509133 0.752375 0.877804 I\n0.711706 0.814400 0.368849 I\n0.868326 0.125103 0.877685 I\n",
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"elements": [
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"density": 6.186265755185837,
"density_atomic": 0.028007654815775197,
"volume": 428.4542950465474,
"volume_molar": 21.50176728330733,
"formula_full": "Ce2 Sm2 I8",
"formula_reduced": "CeSmI4",
"formula_anonymous": "ABC4",
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"spacegroup": 15
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{
"id": "jvasp-12429",
"created_at": "2022-09-04T14:37:17.991190Z",
"updated_at": "2022-09-04T14:37:17.991212Z",
"structure_string": "Li4 Pb2 O6\n1.0\n5.323046 -0.035439 -0.958283\n-2.893469 4.468100 -0.958283\n0.031892 0.058186 5.494967\nLi Pb O\n4 2 6\ndirect\n0.256760 0.743241 0.750001 Li\n0.743241 0.256760 0.250001 Li\n0.581512 0.418489 0.750001 Li\n0.418488 0.581512 0.250001 Li\n0.089359 0.910641 0.250001 Pb\n0.910641 0.089360 0.750001 Pb\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500001 O\n0.672583 0.833870 0.992700 O\n0.166130 0.327418 0.507302 O\n0.327418 0.166130 0.007302 O\n0.833870 0.672583 0.492699 O\n",
"nsites": 12,
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"elements": [
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"density": 6.836050699009803,
"density_atomic": 0.09179640768698721,
"volume": 130.7240697361307,
"volume_molar": 6.56032290559196,
"formula_full": "Li4 Pb2 O6",
"formula_reduced": "Li2PbO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-49589",
"created_at": "2022-09-04T14:37:18.155163Z",
"updated_at": "2022-09-04T14:37:18.155184Z",
"structure_string": "Mg4 Nb4 Fe2 O16\n1.0\n-5.172585 -0.000024 0.000114\n-0.000188 -5.990417 -0.000909\n0.157467 2.993312 9.520347\nMg Nb Fe O\n4 4 2 16\ndirect\n0.754541 0.588227 0.459041 Mg\n0.748534 0.129944 0.542429 Mg\n0.248544 0.411444 0.542454 Mg\n0.254550 0.869726 0.459061 Mg\n0.749409 0.716730 0.770697 Nb\n0.753671 0.946758 0.230785 Nb\n0.253656 0.282929 0.230795 Nb\n0.249390 0.052899 0.770700 Nb\n0.251531 0.642238 0.000749 Fe\n0.751525 0.357409 0.000739 Fe\n0.888998 0.452819 0.619135 O\n0.614083 0.834426 0.382352 O\n0.114075 0.546853 0.382354 O\n0.388996 0.165241 0.619138 O\n0.045184 0.084278 0.375644 O\n0.457889 0.709389 0.625834 O\n0.086166 0.319393 0.883939 O\n0.911201 0.183863 0.138519 O\n0.916882 0.680264 0.117542 O\n0.586176 0.563474 0.883940 O\n0.591852 0.046077 0.862968 O\n0.957889 0.915384 0.625840 O\n0.411209 0.953569 0.138524 O\n0.091858 0.815794 0.862970 O\n0.416874 0.436161 0.117540 O\n0.545186 0.290276 0.375655 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 4.70903147065381,
"density_atomic": 0.08814068900614883,
"volume": 294.9829448030092,
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"formula_full": "Mg4 Nb4 Fe2 O16",
"formula_reduced": "Mg2Nb2FeO8",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 15
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{
"id": "jvasp-50672",
"created_at": "2022-09-04T14:37:18.257639Z",
"updated_at": "2022-09-04T14:37:18.257657Z",
"structure_string": "Li2 Ag2 F8\n1.0\n-4.864601 0.000791 -0.594435\n-0.000710 -5.943305 -0.002188\n2.155932 2.969489 5.332303\nLi Ag F\n2 2 8\ndirect\n0.749996 0.172993 -0.000003 Li\n0.250006 0.827009 0.000005 Li\n0.000002 -0.000001 0.499999 Ag\n0.500004 0.500003 0.500002 Ag\n0.413560 0.238382 0.742514 F\n0.044560 0.005077 0.216965 F\n0.544558 0.211880 0.216968 F\n0.913558 0.504142 0.742504 F\n0.086438 0.495853 0.257491 F\n0.455442 0.788122 0.783036 F\n0.955441 0.994926 0.783037 F\n0.586437 0.761618 0.257483 F\n",
"nsites": 12,
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"elements": [
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"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.324825378818908,
"density_atomic": 0.08190038759009831,
"volume": 146.51945311978952,
"volume_molar": 7.353006423046613,
"formula_full": "Li2 Ag2 F8",
"formula_reduced": "LiAgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1666666666687586e-05,
"spacegroup": 15
},
{
"id": "jvasp-57845",
"created_at": "2022-09-04T14:37:18.803595Z",
"updated_at": "2022-09-04T14:37:18.803622Z",
"structure_string": "Na4 Zn2 Si4 O12\n1.0\n5.712424 -0.051724 -0.165853\n-2.331699 5.215136 -0.165853\n0.064938 0.099180 9.980392\nNa Zn Si O\n4 2 4 12\ndirect\n0.387335 0.741593 0.105401 Na\n0.258408 0.612666 0.394599 Na\n0.612665 0.258408 0.894599 Na\n0.741592 0.387336 0.605401 Na\n0.728909 0.271092 0.250000 Zn\n0.271091 0.728910 0.750000 Zn\n0.167278 0.138941 0.137983 Si\n0.832722 0.861061 0.862017 Si\n0.138941 0.167278 0.637983 Si\n0.861059 0.832723 0.362017 Si\n0.091352 0.367536 0.192323 O\n0.908648 0.632465 0.807677 O\n0.000000 -0.000000 0.500000 O\n0.367536 0.091353 0.692323 O\n0.470844 0.229229 0.107647 O\n0.091966 0.908035 0.250000 O\n0.229229 0.470844 0.607647 O\n0.632464 0.908649 0.307678 O\n0.770771 0.529157 0.392353 O\n0.908034 0.091967 0.750000 O\n0.529156 0.770772 0.892353 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Na-O-Si-Zn",
"density": 2.953947738189571,
"density_atomic": 0.07424609021691563,
"volume": 296.311899195302,
"volume_molar": 8.111054390077452,
"formula_full": "Na4 Zn2 Si4 O12",
"formula_reduced": "Na2Zn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.7268960545454544,
"spacegroup": 15
},
{
"id": "jvasp-58270",
"created_at": "2022-09-04T14:37:18.816548Z",
"updated_at": "2022-09-04T14:37:18.816579Z",
"structure_string": "Li2 Ti2 Si4 O12\n1.0\n5.140040 0.011702 1.349932\n1.507486 6.356445 0.789669\n0.001168 0.118806 6.579239\nLi Ti Si O\n2 2 4 12\ndirect\n0.750000 0.267028 0.732973 Li\n0.250000 0.732973 0.267027 Li\n0.250000 0.086824 0.913176 Ti\n0.750000 0.913177 0.086824 Ti\n0.221393 0.204050 0.391429 Si\n0.278608 0.608572 0.795950 Si\n0.778608 0.795951 0.608571 Si\n0.721393 0.391429 0.204049 Si\n0.169700 0.110747 0.634565 O\n0.330302 0.365436 0.889254 O\n0.425603 0.364361 0.344701 O\n0.074398 0.655300 0.635639 O\n0.836880 0.215746 0.026333 O\n0.574398 0.635640 0.655299 O\n0.163120 0.784255 0.973667 O\n0.336880 0.026333 0.215745 O\n0.669700 0.634565 0.110746 O\n0.830301 0.889254 0.365435 O\n0.925603 0.344701 0.364361 O\n0.663121 0.973668 0.784254 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.20318865218138,
"density_atomic": 0.09319973750956481,
"volume": 214.592879061998,
"volume_molar": 6.4615426190250425,
"formula_full": "Li2 Ti2 Si4 O12",
"formula_reduced": "LiTi(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-10316",
"created_at": "2022-09-04T14:37:18.912174Z",
"updated_at": "2022-09-04T14:37:18.912189Z",
"structure_string": "Sn2 Ge4 O12\n1.0\n5.468944 0.036628 1.266072\n1.498783 6.588415 0.684033\n0.129992 -0.078997 6.789575\nSn Ge O\n2 4 12\ndirect\n0.749999 0.896564 0.103435 Sn\n0.250000 0.103435 0.896565 Sn\n0.735660 0.392239 0.216529 Ge\n0.764338 0.783470 0.607761 Ge\n0.264338 0.607760 0.783471 Ge\n0.235661 0.216529 0.392239 Ge\n0.638766 0.957448 0.815926 O\n0.861232 0.184075 0.042551 O\n0.679194 0.623717 0.080142 O\n0.820804 0.919857 0.376283 O\n0.320804 0.376283 0.919858 O\n0.528092 0.655325 0.601356 O\n-0.028093 0.398644 0.344675 O\n0.138766 0.815924 0.957449 O\n0.028093 0.601355 0.655326 O\n0.471906 0.344674 0.398644 O\n0.179195 0.080142 0.623718 O\n0.361233 0.042551 0.184075 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.9132257488200946,
"density_atomic": 0.07397313717892796,
"volume": 243.331575304981,
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"formula_full": "Sn2 Ge4 O12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-43505",
"created_at": "2022-09-04T14:37:18.823051Z",
"updated_at": "2022-09-04T14:37:18.823083Z",
"structure_string": "Li2 Fe2 F8\n1.0\n0.000000 5.401372 0.000000\n-7.365513 2.700687 0.495832\n-3.455654 0.000000 3.948767\nLi Fe F\n2 2 8\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.500000 -0.000000 Li\n0.820051 -0.000001 0.750001 Fe\n0.179949 -0.000000 0.250000 Fe\n0.989768 0.810204 0.610307 F\n0.524278 0.717714 0.587646 F\n0.200029 0.810204 0.110306 F\n0.758007 0.717715 0.087646 F\n0.241994 0.282284 0.912355 F\n0.799972 0.189795 0.889694 F\n0.475723 0.282285 0.412354 F\n0.010233 0.189795 0.389694 F\n",
"nsites": 12,
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],
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"density": 3.117494628081663,
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"formula_full": "Li2 Fe2 F8",
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"spacegroup": 15
},
{
"id": "jvasp-9721",
"created_at": "2022-09-04T14:37:18.876061Z",
"updated_at": "2022-09-04T14:37:18.876087Z",
"structure_string": "Er2 Ta2 O8\n1.0\n4.745843 -0.000566 -1.789295\n-1.277409 4.749590 -1.977057\n-0.000242 0.005950 6.481537\nEr Ta O\n2 2 8\ndirect\n0.381184 0.631184 0.262368 Er\n0.618815 0.368815 0.737632 Er\n0.852749 0.102749 0.205499 Ta\n0.147250 0.897250 0.794501 Ta\n0.002116 0.785480 0.062239 O\n0.560122 0.276758 0.062239 O\n0.997883 0.214519 0.937762 O\n0.439877 0.723241 0.937761 O\n0.211240 0.371455 0.423132 O\n0.711891 0.051676 0.423132 O\n0.788760 0.628544 0.576869 O\n0.288108 0.948323 0.576868 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.366083220172529,
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"volume": 146.16176823911022,
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"formula_full": "Er2 Ta2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 15
},
{
"id": "jvasp-50677",
"created_at": "2022-09-04T14:37:18.958909Z",
"updated_at": "2022-09-04T14:37:18.958928Z",
"structure_string": "Li4 Ti6 O12\n1.0\n7.791292 -1.776316 -3.673533\n1.949210 4.911603 -0.105585\n1.949210 -3.132808 3.784244\nLi Ti O\n4 6 12\ndirect\n0.007680 0.290363 0.717580 Li\n0.507679 0.967580 0.040363 Li\n0.325655 0.615747 0.042975 Li\n0.825655 0.292975 0.365748 Li\n0.166668 0.177978 0.155348 Ti\n0.995821 0.735953 0.267527 Ti\n0.337511 0.065805 0.597383 Ti\n0.495821 0.517526 0.485954 Ti\n0.666668 0.405347 0.927978 Ti\n0.837511 0.847381 0.815805 Ti\n0.838563 0.078881 0.599844 O\n0.494769 0.733484 0.254453 O\n0.338564 0.849842 0.828881 O\n0.666666 0.184705 0.148628 O\n0.494536 0.282087 0.736785 O\n0.994769 0.504452 0.483485 O\n0.338797 0.301242 0.346548 O\n0.166667 0.398627 0.934705 O\n0.994536 -0.013215 0.032088 O\n0.666667 0.643036 0.690297 O\n0.166667 0.940296 0.393037 O\n0.838797 0.596548 0.051243 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.946534824614419,
"density_atomic": 0.10313756092176124,
"volume": 213.30735188404253,
"volume_molar": 5.838940446311616,
"formula_full": "Li4 Ti6 O12",
"formula_reduced": "Li2Ti3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.735936,
"spacegroup": 15
},
{
"id": "jvasp-11328",
"created_at": "2022-09-04T14:37:19.419455Z",
"updated_at": "2022-09-04T14:37:19.419472Z",
"structure_string": "Mg2 Co2 F10\n1.0\n4.778962 0.038104 -1.829544\n-1.953994 4.685991 -0.640744\n-0.141673 -0.020441 7.166424\nMg Co F\n2 2 10\ndirect\n0.284359 0.534358 0.750000 Mg\n0.715641 0.465641 0.250000 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.351385 0.101385 0.250000 F\n0.648616 0.898615 0.750001 F\n0.570643 0.717480 0.368125 F\n0.849355 0.202518 0.131876 F\n0.753821 0.674899 0.033023 F\n0.141878 0.720799 0.466978 F\n0.246180 0.325100 0.966977 F\n0.858123 0.279200 0.533023 F\n0.150646 0.797482 0.868124 F\n0.429358 0.282519 0.631876 F\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.707056202237841,
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"volume": 159.6729113711304,
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"formula_full": "Mg2 Co2 F10",
"formula_reduced": "MgCoF5",
"formula_anonymous": "ABC5",
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"spacegroup": 15
}
]
}