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{
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"results": [
{
"id": "jvasp-9479",
"created_at": "2022-09-04T14:38:30.645508Z",
"updated_at": "2022-09-04T14:38:30.645524Z",
"structure_string": "Zn2 Mo2 F10\n1.0\n5.377391 -0.313721 1.351612\n-1.488183 4.899091 1.283837\n0.709735 -0.767984 7.465366\nZn Mo F\n2 2 10\ndirect\n0.270662 0.477680 0.230871 Zn\n0.732794 0.520440 0.768486 Zn\n0.001742 -0.000937 -0.000327 Mo\n0.501747 -0.000931 0.499678 Mo\n0.140039 0.872421 0.744269 F\n0.863456 0.125714 0.255078 F\n0.681676 0.846536 0.663456 F\n0.902152 0.287796 0.860151 F\n0.342463 0.308973 0.963473 F\n0.686338 0.360218 0.550637 F\n0.661035 0.689153 0.035872 F\n0.317153 0.637936 0.448704 F\n0.101351 0.710338 0.139179 F\n0.321824 0.151621 0.335892 F\n",
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"elements": [
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],
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"density_atomic": 0.07177799179281787,
"volume": 195.04585807318233,
"volume_molar": 8.389954371226331,
"formula_full": "Zn2 Mo2 F10",
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"formula_anonymous": "ABC5",
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"spacegroup": 2
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{
"id": "jvasp-39401",
"created_at": "2022-09-04T14:38:31.163122Z",
"updated_at": "2022-09-04T14:38:31.163146Z",
"structure_string": "Li1 In1 I4 O12\n1.0\n4.859398 -0.000537 -0.002564\n0.074789 6.502526 -0.018558\n0.114977 0.741456 8.585878\nLi In I O\n1 1 4 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.500000 In\n0.513692 0.802127 0.157730 I\n0.009238 0.280291 0.235934 I\n0.990764 0.719710 0.764067 I\n0.486309 0.197874 0.842271 I\n0.777384 0.508361 0.694273 O\n0.777655 0.936632 0.690682 O\n0.350890 0.230175 0.637712 O\n0.243662 0.734383 0.601528 O\n0.756339 0.265617 0.398473 O\n0.222617 0.491640 0.305727 O\n0.222346 0.063369 0.309319 O\n0.288057 0.960495 0.899189 O\n0.711944 0.039506 0.100811 O\n0.746597 0.619665 0.071202 O\n0.649112 0.769826 0.362289 O\n0.253404 0.380335 0.928798 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"In",
"I",
"O"
],
"chemical_system": "I-In-Li-O",
"density": 5.026064594269621,
"density_atomic": 0.06633042899612128,
"volume": 271.3686655192983,
"volume_molar": 9.079001675614293,
"formula_full": "Li1 In1 I4 O12",
"formula_reduced": "LiIn(IO3)4",
"formula_anonymous": "ABC4D12",
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"spacegroup": 2
},
{
"id": "jvasp-9373",
"created_at": "2022-09-04T14:38:31.375282Z",
"updated_at": "2022-09-04T14:38:31.375313Z",
"structure_string": "Na8 Ge2 O8\n1.0\n5.707978 -0.000650 0.007868\n2.127569 5.311143 0.015008\n2.766079 0.278844 8.186115\nNa Ge O\n8 2 8\ndirect\n0.979382 0.234216 0.065529 Na\n0.448136 0.739991 0.103608 Na\n0.891082 0.772008 0.319515 Na\n0.258395 0.743208 0.512346 Na\n0.741605 0.256791 0.487655 Na\n0.551865 0.260007 0.896393 Na\n0.020619 0.765783 0.934472 Na\n0.108918 0.227990 0.680486 Na\n0.657127 0.779173 0.744345 Ge\n0.342874 0.220826 0.255656 Ge\n0.335855 0.971668 0.862529 O\n0.797065 0.524444 0.875918 O\n0.202936 0.475554 0.124083 O\n0.861780 0.970793 0.695200 O\n0.138221 0.029206 0.304801 O\n0.647090 0.654824 0.570973 O\n0.664146 0.028331 0.137472 O\n0.352911 0.345175 0.429028 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Ge",
"O"
],
"chemical_system": "Ge-Na-O",
"density": 3.060674064921433,
"density_atomic": 0.07256723610430711,
"volume": 248.04582572398178,
"volume_molar": 8.29870487466804,
"formula_full": "Na8 Ge2 O8",
"formula_reduced": "Na4GeO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.793171772222222,
"spacegroup": 2
},
{
"id": "jvasp-53523",
"created_at": "2022-09-04T14:38:31.384020Z",
"updated_at": "2022-09-04T14:38:31.384048Z",
"structure_string": "Mo8 Ru4 Se16\n1.0\n6.697261 -0.023335 -0.014546\n-0.828577 9.224842 0.001738\n-0.123769 -0.016795 9.789582\nMo Ru Se\n8 4 16\ndirect\n0.766530 0.519566 0.067065 Mo\n0.766526 0.021394 0.566548 Mo\n0.583155 0.108109 0.346498 Mo\n0.540898 0.325316 0.912931 Mo\n0.459101 0.674685 0.087069 Mo\n0.416844 0.891892 0.653502 Mo\n0.233473 0.978607 0.433451 Mo\n0.233470 0.480435 0.932934 Mo\n0.451331 0.180881 0.591260 Ru\n0.411087 0.391302 0.162541 Ru\n0.588913 0.608699 0.837458 Ru\n0.548669 0.819120 0.408740 Ru\n0.279711 0.748778 0.869917 Se\n0.209310 0.215237 0.008594 Se\n0.261832 0.252590 0.381411 Se\n0.218337 0.711743 0.495040 Se\n0.367327 0.431306 0.695142 Se\n0.373585 0.921545 0.199309 Se\n0.626414 0.078456 0.800690 Se\n0.869146 0.447832 0.818901 Se\n0.790689 0.784763 0.991404 Se\n0.781662 0.288258 0.504959 Se\n0.738168 0.747411 0.618588 Se\n0.720288 0.251222 0.130082 Se\n0.130854 0.552168 0.181098 Se\n0.868480 0.946447 0.318696 Se\n0.632672 0.568694 0.304858 Se\n0.131520 0.053554 0.681304 Se\n",
"nsites": 28,
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"elements": [
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"Ru",
"Se"
],
"chemical_system": "Mo-Ru-Se",
"density": 6.688121548199751,
"density_atomic": 0.04631115257809226,
"volume": 604.6059845473496,
"volume_molar": 13.003651226009017,
"formula_full": "Mo8 Ru4 Se16",
"formula_reduced": "Mo2RuSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.511816538095238,
"spacegroup": 2
},
{
"id": "jvasp-118985",
"created_at": "2022-09-04T14:38:31.572291Z",
"updated_at": "2022-09-04T14:38:31.572304Z",
"structure_string": "Li7 Co5 O12\n1.0\n4.894048 0.006213 -0.509632\n-1.764182 5.282111 -1.045505\n-0.013274 -0.046468 7.483968\nLi Co O\n7 5 12\ndirect\n0.503675 0.090733 0.839788 Li\n0.498102 0.579426 0.842736 Li\n0.501488 0.248694 0.499373 Li\n0.498513 0.751305 0.500629 Li\n0.501900 0.420573 0.157266 Li\n0.496326 0.909266 0.160214 Li\n0.000000 0.500000 0.000000 Li\n0.001340 0.334899 0.330245 Co\n-0.001339 0.665100 0.669756 Co\n0.000545 0.830149 0.329967 Co\n0.000000 0.000000 0.000000 Co\n-0.000544 0.169851 0.670034 Co\n0.773719 0.729531 0.092066 O\n0.223878 0.797089 0.905954 O\n0.226282 0.270468 0.907935 O\n0.214688 0.948746 0.578711 O\n0.217749 0.450084 0.581217 O\n0.219980 0.116468 0.245938 O\n0.228739 0.622809 0.262788 O\n0.771262 0.377190 0.737213 O\n0.780021 0.883531 0.754064 O\n0.782253 0.549915 0.418784 O\n0.785313 0.051253 0.421290 O\n0.776124 0.202910 0.094047 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.599582220791299,
"density_atomic": 0.12420162642645831,
"volume": 193.2341845314785,
"volume_molar": 4.848681078718243,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.595766104166666,
"spacegroup": 2
},
{
"id": "jvasp-57134",
"created_at": "2022-09-04T14:38:31.564796Z",
"updated_at": "2022-09-04T14:38:31.564819Z",
"structure_string": "Na4 Ca2 P4 O14\n1.0\n5.422774 -0.002673 -0.001068\n0.133083 7.075323 0.056314\n0.131904 3.160811 8.324604\nNa Ca P O\n4 2 4 14\ndirect\n0.237637 0.868550 0.552900 Na\n0.726172 0.213821 0.013019 Na\n0.762361 0.131450 0.447099 Na\n0.273826 0.786179 0.986980 Na\n0.236588 0.246447 0.717784 Ca\n0.763410 0.753553 0.282214 Ca\n0.244194 0.119809 0.171462 P\n0.755804 0.880191 0.828537 P\n0.290070 0.429734 0.311869 P\n0.709928 0.570267 0.688130 P\n0.285055 0.131145 -0.001793 O\n0.273342 0.356922 0.155638 O\n0.982074 0.059768 0.233267 O\n0.843897 0.365589 0.748316 O\n0.565792 0.447175 0.337364 O\n0.834829 0.733143 0.545650 O\n0.714943 0.868855 0.001792 O\n0.017924 0.940232 0.766732 O\n0.726656 0.643078 0.844360 O\n0.156101 0.634411 0.251683 O\n0.447429 0.000074 0.286539 O\n0.552570 -0.000073 0.713460 O\n0.434206 0.552826 0.662634 O\n0.165169 0.266857 0.454349 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ca",
"P",
"O"
],
"chemical_system": "Ca-Na-O-P",
"density": 2.7116411839106056,
"density_atomic": 0.07536844952734365,
"volume": 318.4356338827537,
"volume_molar": 7.990267542674033,
"formula_full": "Na4 Ca2 P4 O14",
"formula_reduced": "Na2CaP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.9144653266666665,
"spacegroup": 2
},
{
"id": "jvasp-119368",
"created_at": "2022-09-04T14:38:31.577303Z",
"updated_at": "2022-09-04T14:38:31.577326Z",
"structure_string": "Li2 Mn4 P4 H2 O16\n1.0\n5.100326 0.051778 0.818702\n-2.535408 7.941347 0.721813\n-0.370757 -0.123159 8.571202\nLi Mn P H O\n2 4 4 2 16\ndirect\n0.632604 0.318622 0.171503 Li\n0.367396 0.681378 0.828496 Li\n0.760806 0.413099 0.780684 Mn\n0.239193 0.586901 0.219315 Mn\n0.296576 0.110585 0.609656 Mn\n0.703425 0.889416 0.390344 Mn\n0.142893 0.739801 0.562335 P\n0.857108 0.260201 0.437664 P\n0.850327 0.738806 0.061388 P\n0.149673 0.261194 0.938612 P\n0.864222 0.924284 0.864243 H\n0.135777 0.075715 0.135755 H\n0.695874 0.261776 0.604417 O\n0.338589 0.876045 0.641397 O\n0.661411 0.123955 0.358602 O\n0.244131 0.195130 0.098561 O\n0.755869 0.804870 0.901438 O\n0.304125 0.738225 0.395583 O\n0.883060 0.307227 0.979410 O\n0.891432 0.879968 0.168025 O\n0.127048 0.222731 0.453593 O\n0.872953 0.777271 0.546406 O\n0.615170 0.582277 0.131245 O\n0.384830 0.417723 0.868754 O\n0.898334 0.425320 0.330459 O\n0.108568 0.120032 0.831974 O\n0.116940 0.692773 0.020590 O\n0.101665 0.574681 0.669541 O\n",
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"elements": [
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],
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"density": 2.908757791680823,
"density_atomic": 0.07968257912433226,
"volume": 351.3942483752987,
"volume_molar": 7.557662949894465,
"formula_full": "Li2 Mn4 P4 H2 O16",
"formula_reduced": "LiMn2P2HO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 3.121965248768473,
"spacegroup": 2
},
{
"id": "jvasp-118988",
"created_at": "2022-09-04T14:38:31.735106Z",
"updated_at": "2022-09-04T14:38:31.735132Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.941592 -0.018723 0.331105\n0.671448 7.599524 1.247179\n-0.060814 0.015378 11.119804\nLi Mn O\n8 6 14\ndirect\n0.640833 0.163246 0.934312 Li\n0.860598 0.576947 0.199928 Li\n0.000001 0.000000 0.500000 Li\n0.139404 0.423053 0.800072 Li\n0.359168 0.836754 0.065688 Li\n0.429514 0.286499 0.355135 Li\n0.570487 0.713501 0.644865 Li\n0.500000 0.500000 0.000000 Li\n0.612240 0.935326 0.284048 Mn\n0.387761 0.064674 0.715952 Mn\n0.788340 0.357476 0.573933 Mn\n0.035546 0.226388 0.138124 Mn\n0.964456 0.773612 0.861876 Mn\n0.211662 0.642524 0.426068 Mn\n0.598890 0.056897 0.117857 O\n0.517930 0.627317 0.826451 O\n0.427945 0.175723 0.546413 O\n0.270580 0.747944 0.255064 O\n0.084314 0.310414 0.976292 O\n0.148732 0.539713 0.598237 O\n-0.012205 0.108506 0.312058 O\n0.729421 0.252056 0.744936 O\n0.572056 0.824277 0.453587 O\n0.482071 0.372683 0.173549 O\n0.401112 0.943103 0.882143 O\n0.851269 0.460287 0.401763 O\n0.915687 0.689586 0.023708 O\n0.012207 0.891494 0.687942 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.065225177389606,
"density_atomic": 0.11253064562768636,
"volume": 248.8211086306169,
"volume_molar": 5.351556215117235,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.709439016009852,
"spacegroup": 2
},
{
"id": "jvasp-36816",
"created_at": "2022-09-04T14:38:31.966682Z",
"updated_at": "2022-09-04T14:38:31.966708Z",
"structure_string": "Cd2 Au2 O4\n1.0\n-4.088476 -0.004487 0.019469\n-0.306794 -5.536882 0.012515\n1.684557 2.547818 5.219903\nCd Au O\n2 2 4\ndirect\n0.271162 0.269876 0.532820 Cd\n0.728837 0.730124 0.467181 Cd\n0.500001 0.000000 0.000000 Au\n-0.000000 0.500000 0.000000 Au\n0.681809 0.162198 0.809270 O\n0.318190 0.837802 0.190730 O\n0.716792 0.279858 0.358946 O\n0.283207 0.720142 0.641054 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Au-Cd-O",
"density": 9.571077776300315,
"density_atomic": 0.06753645869812024,
"volume": 118.4545378039294,
"volume_molar": 8.916873753950052,
"formula_full": "Cd2 Au2 O4",
"formula_reduced": "CdAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.66540358,
"spacegroup": 2
},
{
"id": "jvasp-116519",
"created_at": "2022-09-04T14:38:31.980672Z",
"updated_at": "2022-09-04T14:38:31.980708Z",
"structure_string": "Li4 Fe6 F16\n1.0\n5.222541 0.035805 0.446676\n0.070879 5.532184 1.308975\n0.003615 -0.620812 9.901336\nLi Fe F\n4 6 16\ndirect\n0.303113 0.212869 0.801077 Li\n0.803753 0.900297 0.806443 Li\n0.196246 0.099703 0.193557 Li\n0.696887 0.787132 0.198923 Li\n0.752336 0.340134 -0.000547 Fe\n0.739956 0.176901 0.485226 Fe\n0.247664 0.659866 0.000547 Fe\n0.707357 0.603115 0.511611 Fe\n0.260044 0.823100 0.514774 Fe\n0.292642 0.396886 0.488390 Fe\n0.112302 0.151899 0.385485 F\n0.873644 0.077469 0.132182 F\n0.373683 0.841397 0.131522 F\n0.588260 0.920341 0.382857 F\n0.060565 0.665157 0.385034 F\n0.601240 0.456959 0.340044 F\n0.887697 0.848101 0.614516 F\n0.126356 0.922532 0.867819 F\n0.939434 0.334843 0.614967 F\n0.411739 0.079660 0.617144 F\n0.626316 0.158604 0.868478 F\n0.400493 0.352256 0.105383 F\n0.599506 0.647744 0.894617 F\n0.092920 0.419615 0.893344 F\n0.398759 0.543041 0.659956 F\n0.907079 0.580385 0.106656 F\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "F-Fe-Li",
"density": 3.8147176239948695,
"density_atomic": 0.08957473887840064,
"volume": 290.2604051717692,
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"formula_full": "Li4 Fe6 F16",
"formula_reduced": "Li2Fe3F8",
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{
"id": "jvasp-40731",
"created_at": "2022-09-04T14:38:31.993201Z",
"updated_at": "2022-09-04T14:38:31.993236Z",
"structure_string": "Li6 V2 B4 O12\n1.0\n5.094915 0.031469 0.019817\n0.063760 5.833488 -0.270242\n0.072381 1.672385 7.568712\nLi V B O\n6 2 4 12\ndirect\n0.169762 0.812580 0.895780 Li\n0.343790 0.988370 0.241910 Li\n0.339851 0.739677 0.589045 Li\n0.660150 0.260324 0.410956 Li\n0.656211 0.011631 0.758091 Li\n0.830238 0.187421 0.104221 Li\n0.154879 0.507420 0.248418 V\n0.845122 0.492581 0.751583 V\n0.662057 0.655917 0.076063 B\n0.841983 0.826033 0.415418 B\n0.158018 0.173968 0.584583 B\n0.337944 0.344084 0.923937 B\n0.781960 0.496130 0.208078 O\n0.105478 0.763738 0.391515 O\n0.218041 0.503871 0.791923 O\n0.199848 0.246832 0.070848 O\n0.285474 0.275480 0.428405 O\n0.287666 0.011801 0.698938 O\n0.395114 0.702864 0.095536 O\n0.604886 0.297137 0.904465 O\n0.712335 0.988200 0.301063 O\n0.714526 0.724521 0.571596 O\n0.800152 0.753169 0.929153 O\n0.894522 0.236263 0.608486 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 2.767909265140443,
"density_atomic": 0.10561928798013506,
"volume": 227.2312231882678,
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"formula_full": "Li6 V2 B4 O12",
"formula_reduced": "Li3V(BO3)2",
"formula_anonymous": "AB2C3D6",
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"spacegroup": 2
},
{
"id": "jvasp-119384",
"created_at": "2022-09-04T14:38:32.049277Z",
"updated_at": "2022-09-04T14:38:32.049306Z",
"structure_string": "Rb4 Fe4 O8\n1.0\n5.287278 0.905658 -0.540706\n1.559638 9.723772 0.490939\n0.257346 0.391832 6.513911\nRb Fe O\n4 4 8\ndirect\n0.846015 0.348402 0.013506 Rb\n0.346121 0.848413 0.513538 Rb\n0.153887 0.651605 -0.013537 Rb\n0.653983 0.151579 0.486492 Rb\n0.249828 0.498845 0.502702 Fe\n0.250175 0.001155 -0.002700 Fe\n0.749980 0.998839 0.002735 Fe\n0.750019 0.501160 0.497263 Fe\n0.998181 0.486533 0.313128 O\n0.498354 -0.013502 0.813171 O\n0.508960 0.464028 0.322642 O\n0.009093 0.964055 0.822661 O\n0.490901 0.535956 0.677335 O\n-0.008950 0.035958 0.177362 O\n0.001649 0.513501 0.686828 O\n0.501817 0.013469 0.186871 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 3.5331887019663424,
"density_atomic": 0.0491077566700348,
"volume": 325.8141093169317,
"volume_molar": 12.263115174378688,
"formula_full": "Rb4 Fe4 O8",
"formula_reduced": "RbFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.439115625,
"spacegroup": 2
}
]
}