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{
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{
"id": "jvasp-117353",
"created_at": "2022-09-04T14:38:27.023847Z",
"updated_at": "2022-09-04T14:38:27.023870Z",
"structure_string": "K2 Al2 C2 O10\n1.0\n6.252472 0.466135 0.000000\n-2.794873 5.612431 0.000000\n0.000000 0.000000 5.943181\nK Al C O\n2 2 2 10\ndirect\n0.376904 0.623097 0.250000 K\n0.623097 0.376904 0.750000 K\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.755291 0.244710 0.250000 C\n0.244710 0.755291 0.750000 C\n0.632794 0.367207 0.250000 O\n0.367207 0.632794 0.750000 O\n0.815916 0.184085 0.057676 O\n0.184085 0.815916 0.942324 O\n0.184085 0.815916 0.557676 O\n0.815916 0.184085 0.442324 O\n0.866785 0.820672 0.250000 O\n0.133215 0.179328 0.750000 O\n0.179328 0.133215 0.250000 O\n0.820672 0.866786 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:38:30.441906Z",
"structure_string": "Ca2 Ti2 P2 O10\n1.0\n5.535560 -0.049955 0.007733\n-1.527625 5.326572 0.005198\n-1.616541 -2.132598 6.441040\nCa Ti P O\n2 2 2 10\ndirect\n0.336749 0.167788 0.757262 Ca\n0.669219 0.833352 0.259377 Ca\n0.002961 0.500567 0.508367 Ti\n0.002974 0.500538 0.008367 Ti\n0.682235 0.821873 0.758440 P\n0.323693 0.179237 0.258265 P\n0.671283 0.610038 0.872968 O\n0.894976 0.832974 0.644336 O\n0.334664 0.391072 0.143739 O\n0.110942 0.168148 0.372360 O\n0.593887 0.239892 0.422038 O\n0.264362 0.908759 0.095585 O\n0.412036 0.761237 0.594686 O\n0.741569 0.092336 0.921141 O\n0.922001 0.581170 0.258421 O\n0.083934 0.419935 0.758301 O\n",
"nsites": 16,
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"volume": 189.57969377144983,
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"formula_full": "Ca2 Ti2 P2 O10",
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"spacegroup": 15
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{
"id": "jvasp-57330",
"created_at": "2022-09-04T14:38:14.496447Z",
"updated_at": "2022-09-04T14:38:14.496466Z",
"structure_string": "Ni2 Bi2 As2 O10\n1.0\n5.254777 0.028328 -0.012453\n-0.660706 6.740117 0.013581\n-2.048550 -2.716409 5.956605\nNi Bi As O\n2 2 2 10\ndirect\n0.831612 0.363139 0.739934 Ni\n0.168388 0.636862 0.260068 Ni\n0.413071 0.233042 0.971591 Bi\n0.586929 0.766959 0.028410 Bi\n0.843734 0.812323 0.611803 As\n0.156266 0.187678 0.388198 As\n0.774163 0.499317 0.050383 O\n0.270744 0.355292 0.277437 O\n0.729256 0.644709 0.722564 O\n0.579131 0.777547 0.371370 O\n0.084016 0.916243 0.195520 O\n0.856022 0.235751 0.425193 O\n0.225838 0.500684 0.949618 O\n0.915985 0.083758 0.804481 O\n0.420870 0.222454 0.628631 O\n0.143979 0.764250 0.574808 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 6.648953997305138,
"density_atomic": 0.0758005811602357,
"volume": 211.08017583898757,
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"formula_full": "Ni2 Bi2 As2 O10",
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"spacegroup": 2
},
{
"id": "jvasp-57393",
"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",
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},
{
"id": "jvasp-9487",
"created_at": "2022-09-04T14:38:27.586209Z",
"updated_at": "2022-09-04T14:38:27.586230Z",
"structure_string": "Ti2 Zn2 Si2 O10\n1.0\n5.429903 -0.032013 0.007963\n-0.698068 5.384952 -0.006256\n-2.128784 -2.390304 6.590331\nTi Zn Si O\n2 2 2 10\ndirect\n0.006505 0.493682 0.506379 Ti\n0.991512 0.508617 0.006400 Ti\n0.822898 0.912522 0.355583 Zn\n0.410447 0.325306 0.855731 Zn\n0.325290 0.137402 0.230899 Si\n0.635331 0.827489 0.730797 Si\n0.272548 0.321893 0.086006 O\n0.135564 0.186960 0.371230 O\n0.684968 0.637967 0.871305 O\n0.820062 0.774928 0.586095 O\n0.324056 0.737585 0.584251 O\n0.696609 0.141287 0.866917 O\n0.639090 0.198920 0.367130 O\n0.235736 0.826055 0.084569 O\n0.069892 0.396490 0.731891 O\n0.894021 0.571918 0.231779 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "O-Si-Ti-Zn",
"density": 3.8174596651642183,
"density_atomic": 0.08308433408136032,
"volume": 192.57541360723917,
"volume_molar": 7.248226547862586,
"formula_full": "Ti2 Zn2 Si2 O10",
"formula_reduced": "TiZnSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 9
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{
"id": "jvasp-97657",
"created_at": "2022-09-04T14:35:44.953120Z",
"updated_at": "2022-09-04T14:35:44.953137Z",
"structure_string": "Rb4 V4 P4 O20\n1.0\n7.586146 0.000000 0.000000\n0.000000 7.840840 0.000000\n0.000000 0.000000 8.403173\nRb V P O\n4 4 4 20\ndirect\n0.370984 0.708487 0.480978 Rb\n0.129016 0.208487 0.519022 Rb\n0.870985 0.291513 0.019022 Rb\n0.629016 0.791513 0.980978 Rb\n0.137002 0.792129 0.872255 V\n0.637002 0.207871 0.627745 V\n0.862999 0.707871 0.372255 V\n0.362999 0.292129 0.127745 V\n0.624976 0.068045 0.343636 P\n0.375024 0.431955 0.843636 P\n0.875025 0.568045 0.656364 P\n0.124976 0.931955 0.156364 P\n0.821208 0.570126 0.233181 O\n0.678793 0.070126 0.766819 O\n0.321208 0.429874 0.266819 O\n0.062599 0.856231 0.316744 O\n0.312798 0.614755 0.811547 O\n0.187202 0.114755 0.188452 O\n0.521116 0.420893 0.974257 O\n0.271778 0.821172 0.075468 O\n0.021115 0.579107 0.525743 O\n0.478885 0.079107 0.474257 O\n0.687202 0.885245 0.311548 O\n0.437402 0.356231 0.683256 O\n0.937402 0.643769 0.816743 O\n0.562599 0.143769 0.183256 O\n0.728223 0.678828 0.575468 O\n0.178793 0.929874 0.733181 O\n0.228223 0.321172 0.924531 O\n0.771778 0.178828 0.424532 O\n0.978885 0.920893 0.025743 O\n0.812798 0.385245 0.688452 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 3.287355634569377,
"density_atomic": 0.06402106364221802,
"volume": 499.8354944371454,
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"formula_full": "Rb4 V4 P4 O20",
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"formula_anonymous": "ABCD5",
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"spacegroup": 19
},
{
"id": "jvasp-85698",
"created_at": "2022-09-04T14:35:43.247497Z",
"updated_at": "2022-09-04T14:35:43.247524Z",
"structure_string": "Ca2 Si2 Sn2 O10\n1.0\n6.647830 -0.064934 -2.809800\n-0.044925 4.526417 3.397631\n0.028845 -4.466036 3.295044\nCa Si Sn O\n2 2 2 10\ndirect\n0.781296 0.829742 0.151371 Ca\n0.218702 0.170257 0.848628 Ca\n0.252088 0.822539 0.187002 Si\n0.747910 0.177460 0.812997 Si\n0.499999 0.499999 0.499999 Sn\n-0.000001 0.499999 0.499999 Sn\n0.248907 0.414866 0.595601 O\n0.751091 0.585133 0.404398 O\n0.073138 0.750976 0.903986 O\n0.926861 0.249023 0.096013 O\n0.403970 0.112210 0.230449 O\n0.596029 0.887789 0.769549 O\n0.627682 0.390749 0.818408 O\n0.372316 0.609250 0.181590 O\n0.865726 0.166911 0.585713 O\n0.134272 0.833088 0.414285 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.435667272930746,
"density_atomic": 0.08007543041691145,
"volume": 199.81160159484944,
"volume_molar": 7.5205849392826485,
"formula_full": "Ca2 Si2 Sn2 O10",
"formula_reduced": "CaSiSnO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-21118",
"created_at": "2022-09-04T14:38:35.262275Z",
"updated_at": "2022-09-04T14:38:35.262302Z",
"structure_string": "Ba3 B3 P3 O15\n1.0\n3.581776 -6.203818 -0.000000\n3.581776 6.203818 0.000000\n0.000000 0.000000 7.039395\nBa B P O\n3 3 3 15\ndirect\n0.000000 0.394932 0.333333 Ba\n0.605069 0.605069 0.000000 Ba\n0.394932 0.000000 0.666667 Ba\n0.093533 0.093533 0.000000 B\n0.906468 0.000000 0.666667 B\n0.000000 0.906468 0.333333 B\n0.000000 0.390382 0.833332 P\n0.609619 0.609619 0.500000 P\n0.390382 0.000000 0.166667 P\n0.571211 0.142794 0.300183 O\n0.860281 0.182805 0.703718 O\n0.322526 0.139720 0.037051 O\n0.817196 0.677475 0.370385 O\n0.139720 0.322526 0.962948 O\n0.677475 0.817196 0.629615 O\n0.959942 0.000000 0.166667 O\n0.428790 0.571584 0.366484 O\n0.428417 0.857207 0.033151 O\n0.142794 0.571211 0.699816 O\n0.571584 0.428790 0.633516 O\n0.000000 0.959942 0.833332 O\n0.040059 0.040059 0.500000 O\n0.182805 0.860281 0.296282 O\n0.857207 0.428417 0.966849 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.126004049039999,
"density_atomic": 0.07671643977284115,
"volume": 312.8403777738443,
"volume_molar": 7.8498699598569415,
"formula_full": "Ba3 B3 P3 O15",
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"formula_anonymous": "ABCD5",
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"spacegroup": 154
},
{
"id": "jvasp-111627",
"created_at": "2022-09-04T14:38:40.650589Z",
"updated_at": "2022-09-04T14:38:40.650623Z",
"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.417950 -0.019598 0.572174\n-7.005056 4.668130 0.572174\n-0.011802 -0.038828 5.414475\nCa Zn Si O\n2 2 2 10\ndirect\n0.225511 0.083976 0.112755 Ca\n0.083976 0.225511 0.612755 Ca\n0.768817 0.269285 0.992445 Zn\n0.269285 0.768818 0.492445 Zn\n0.650895 0.376216 0.508187 Si\n0.376216 0.650896 0.008186 Si\n0.787872 0.836387 0.365883 O\n0.836387 0.787872 0.865883 O\n0.702999 0.992231 0.922337 O\n0.992231 0.702999 0.422337 O\n0.597137 0.179209 0.339378 O\n0.179209 0.597137 0.839378 O\n0.549997 0.232902 0.807729 O\n0.232902 0.549998 0.307729 O\n0.441465 0.347094 0.435286 O\n0.347094 0.441465 0.935286 O\n",
"nsites": 16,
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"elements": [
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"density": 3.339385751151804,
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"formula_full": "Ca2 Zn2 Si2 O10",
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"spacegroup": 9
},
{
"id": "jvasp-57388",
"created_at": "2022-09-04T14:36:56.760853Z",
"updated_at": "2022-09-04T14:36:56.760874Z",
"structure_string": "Mn2 Bi2 As2 O10\n1.0\n5.384360 -0.055041 0.033692\n-2.311436 6.531659 -0.009990\n-0.737135 -2.683252 6.377986\nMn Bi As O\n2 2 2 10\ndirect\n0.675023 0.782457 0.636813 Mn\n0.324978 0.217544 0.363187 Mn\n0.924041 0.484437 0.245030 Bi\n0.075959 0.515564 0.754971 Bi\n0.352113 0.119872 0.822003 As\n0.647888 0.880129 0.177998 As\n0.729785 0.448414 0.496273 O\n0.568344 0.702438 0.916819 O\n0.431657 0.297563 0.083182 O\n0.224024 0.221266 0.656233 O\n0.270215 0.551587 0.503727 O\n0.775976 0.778734 0.343767 O\n0.356331 0.905487 0.240318 O\n0.090284 0.870679 0.784514 O\n0.643669 0.094513 0.759682 O\n0.909717 0.129322 0.215486 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 6.2175192629611935,
"density_atomic": 0.07151760168206359,
"volume": 223.72114869188567,
"volume_molar": 8.420501552571409,
"formula_full": "Mn2 Bi2 As2 O10",
"formula_reduced": "MnBiAsO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-8410",
"created_at": "2022-09-04T14:37:05.831016Z",
"updated_at": "2022-09-04T14:37:05.831026Z",
"structure_string": "Ba1 Ta1 Cu1 O5\n1.0\n3.811819 0.000000 0.000000\n0.000000 3.811819 0.000000\n0.000000 -0.000000 8.608139\nBa Ta Cu O\n1 1 1 5\ndirect\n0.000000 0.000000 0.974581 Ba\n0.500000 0.500000 0.301603 Ta\n0.500000 0.500000 0.713319 Cu\n0.500000 0.000000 0.345461 O\n0.000000 0.500000 0.345461 O\n0.500000 0.000000 0.755456 O\n0.000000 0.500000 0.755456 O\n0.500000 0.500000 0.084812 O\n",
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],
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"density_atomic": 0.06396113693634144,
"volume": 125.07595054106301,
"volume_molar": 9.415312248113496,
"formula_full": "Ba1 Ta1 Cu1 O5",
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"formula_anonymous": "ABCD5",
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"spacegroup": 99
},
{
"id": "jvasp-98119",
"created_at": "2022-09-04T14:36:21.033199Z",
"updated_at": "2022-09-04T14:36:21.033224Z",
"structure_string": "Mn4 Fe4 Bi4 O20\n1.0\n5.705788 0.000000 0.000000\n0.000000 7.490059 -0.000000\n0.000000 -0.000000 8.593952\nMn Fe Bi O\n4 4 4 20\ndirect\n0.500000 0.902478 0.148289 Mn\n0.500000 0.597523 0.648289 Mn\n0.500000 0.402478 0.351711 Mn\n0.500000 0.097523 0.851711 Mn\n0.735426 0.500000 0.000000 Fe\n0.264574 0.500000 0.000000 Fe\n0.735426 0.000000 0.500000 Fe\n0.264574 0.000000 0.500000 Fe\n0.000000 0.652294 0.330419 Bi\n0.000000 0.152294 0.169581 Bi\n0.000000 0.847706 0.830419 Bi\n0.000000 0.347706 0.669581 Bi\n0.000000 0.653362 0.052533 O\n0.718709 0.500000 0.500000 O\n0.500000 0.155779 0.431271 O\n0.500000 0.844221 0.568729 O\n0.281291 0.000000 0.000000 O\n0.256218 0.605559 0.796174 O\n0.743783 0.894441 0.296174 O\n0.743783 0.394441 0.203826 O\n0.256218 0.105559 0.703825 O\n0.718709 0.000000 0.000000 O\n0.281291 0.500000 0.500000 O\n0.500000 0.344221 0.931271 O\n0.743783 0.105559 0.703825 O\n0.743783 0.605559 0.796174 O\n0.256218 0.394441 0.203826 O\n0.256218 0.894441 0.296174 O\n0.000000 0.153362 0.447467 O\n0.500000 0.655779 0.068729 O\n0.000000 0.846638 0.552533 O\n0.000000 0.346638 0.947467 O\n",
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],
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"volume": 367.27705185520165,
"volume_molar": 6.91185657559326,
"formula_full": "Mn4 Fe4 Bi4 O20",
"formula_reduced": "MnFeBiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 55
}
]
}