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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4167",
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"results": [
{
"id": "jvasp-48424",
"created_at": "2022-09-04T14:35:49.896311Z",
"updated_at": "2022-09-04T14:35:49.896335Z",
"structure_string": "Li10 Co2 O6 F2\n1.0\n-1.829513 -4.537131 -4.249456\n-1.829513 4.537131 -4.249456\n3.709143 0.000000 -2.853797\nLi Co O F\n10 2 6 2\ndirect\n0.955718 0.555595 0.251813 Li\n0.465995 0.041112 0.742777 Li\n0.208889 0.784006 0.507225 Li\n0.784006 0.208889 0.507225 Li\n0.984513 0.984513 0.006456 Li\n0.041112 0.465995 0.742777 Li\n0.694406 0.294283 0.998190 Li\n0.555595 0.955718 0.251813 Li\n0.294283 0.694406 0.998190 Li\n0.265487 0.265487 0.243546 Li\n0.753631 0.753631 0.749092 Co\n0.496369 0.496369 0.500911 Co\n0.230386 0.523607 0.377825 O\n0.763624 0.486377 0.625001 O\n0.523607 0.230386 0.377825 O\n0.486377 0.763624 0.625001 O\n0.726393 0.019615 0.872176 O\n0.019615 0.726393 0.872176 O\n0.977132 0.272868 0.125001 F\n0.272868 0.977132 0.125001 F\n",
"nsites": 20,
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"spacegroup": 12
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{
"id": "jvasp-107610",
"created_at": "2022-09-04T14:37:02.451536Z",
"updated_at": "2022-09-04T14:37:02.451558Z",
"structure_string": "K2 La1 Ag1 Cl6\n1.0\n6.639809 -0.000000 3.833496\n2.213270 6.260072 3.833496\n-0.000000 -0.000000 7.666991\nK La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500001 Ag\n0.746886 0.253114 0.253115 Cl\n0.253114 0.253114 0.746886 Cl\n0.253115 0.746885 0.746886 Cl\n0.253115 0.746885 0.253115 Cl\n0.746886 0.253114 0.746886 Cl\n0.746886 0.746885 0.253115 Cl\n",
"nsites": 10,
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"elements": [
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"La",
"Ag",
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"chemical_system": "Ag-Cl-K-La",
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"volume": 318.68371291756176,
"volume_molar": 19.191581771089872,
"formula_full": "K2 La1 Ag1 Cl6",
"formula_reduced": "K2LaAgCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-51901",
"created_at": "2022-09-04T14:37:06.952926Z",
"updated_at": "2022-09-04T14:37:06.952940Z",
"structure_string": "Na4 C1 O4\n1.0\n4.620568 0.151074 -1.041965\n-0.391441 4.606436 -1.041965\n-1.192950 -1.341996 5.252792\nNa C O\n4 1 4\ndirect\n0.552828 0.552827 0.282424 Na\n0.447262 0.840680 0.857495 Na\n0.840681 0.447261 0.857496 Na\n0.159510 0.159510 0.282532 Na\n-0.000357 -0.000357 0.570101 C\n0.922406 0.922405 0.762304 O\n0.076716 0.730820 0.377903 O\n0.730821 0.076716 0.377904 O\n0.268725 0.268724 0.762310 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"C",
"O"
],
"chemical_system": "C-Na-O",
"density": 2.8013083222354656,
"density_atomic": 0.09039187246577723,
"volume": 99.56647378233524,
"volume_molar": 6.66225911215636,
"formula_full": "Na4 C1 O4",
"formula_reduced": "Na4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 121
},
{
"id": "jvasp-114788",
"created_at": "2022-09-04T14:38:41.283002Z",
"updated_at": "2022-09-04T14:38:41.283020Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n5.545583 -0.204058 1.140110\n0.021878 5.550615 1.130186\n1.410654 1.374051 5.355463\nNa Sn Cl\n1 1 3\ndirect\n0.965807 0.977953 0.567292 Na\n0.440323 0.451872 0.677117 Sn\n0.461705 -0.039785 0.556134 Cl\n-0.051757 0.473677 0.556818 Cl\n0.623919 0.636281 0.132637 Cl\n",
"nsites": 5,
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"elements": [
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"Sn",
"Cl"
],
"chemical_system": "Cl-Na-Sn",
"density": 2.801307582818297,
"density_atomic": 0.0340037738447676,
"volume": 147.04250248298206,
"volume_molar": 17.710212953103348,
"formula_full": "Na1 Sn1 Cl3",
"formula_reduced": "NaSnCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 8
},
{
"id": "jvasp-115582",
"created_at": "2022-09-04T14:38:29.038218Z",
"updated_at": "2022-09-04T14:38:29.038241Z",
"structure_string": "Ba1 Zn1 F1\n1.0\n4.089499 0.000000 0.000000\n0.000000 4.089499 0.000000\n0.000000 0.000000 7.859337\nBa Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.301851 Ba\n0.000000 0.000000 0.737459 Zn\n0.000000 0.000000 -0.001920 F\n",
"nsites": 3,
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"elements": [
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"Zn",
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"chemical_system": "Ba-F-Zn",
"density": 2.8012769958385184,
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"volume": 131.43956826469477,
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"formula_full": "Ba1 Zn1 F1",
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{
"id": "jvasp-94100",
"created_at": "2022-09-04T14:35:59.583820Z",
"updated_at": "2022-09-04T14:35:59.583846Z",
"structure_string": "Mg6 Cr1 Ni1\n1.0\n5.823548 0.676763 0.000000\n-2.325680 5.381722 0.000000\n0.000000 0.000000 4.620110\nMg Cr Ni\n6 1 1\ndirect\n0.133091 0.901481 0.250000 Mg\n0.598518 0.366909 0.250000 Mg\n0.618932 0.881068 0.250000 Mg\n0.345549 0.580765 0.750000 Mg\n0.919235 0.154450 0.750000 Mg\n0.871315 0.628684 0.750000 Mg\n0.399150 0.100849 0.750000 Cr\n0.114211 0.385789 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cr-Mg-Ni",
"density": 2.801095511626162,
"density_atomic": 0.052607591887700984,
"volume": 152.0693062149135,
"volume_molar": 11.447284591271899,
"formula_full": "Mg6 Cr1 Ni1",
"formula_reduced": "Mg6CrNi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-104499",
"created_at": "2022-09-04T14:36:41.511105Z",
"updated_at": "2022-09-04T14:36:41.511128Z",
"structure_string": "K1 Na1 Se1\n1.0\n4.250803 -0.000000 2.454202\n1.416934 4.007696 2.454202\n-0.000000 -0.000000 4.908405\nK Na Se\n1 1 1\ndirect\n0.499999 0.500001 0.499999 K\n0.249999 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
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"elements": [
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"Na",
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],
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"density": 2.8009806193841915,
"density_atomic": 0.035876916957241684,
"volume": 83.61922524099317,
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"formula_full": "K1 Na1 Se1",
"formula_reduced": "KNaSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0527766666666666,
"spacegroup": 216
},
{
"id": "jvasp-1993",
"created_at": "2022-09-04T14:36:09.746894Z",
"updated_at": "2022-09-04T14:36:09.746919Z",
"structure_string": "K1 Br1\n1.0\n4.016793 0.000000 2.319096\n1.338931 3.787069 2.319096\n0.000000 0.000000 4.638194\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500000 0.500001 Br\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Br-K",
"density": 2.8007405121877316,
"density_atomic": 0.02834643297223281,
"volume": 70.55561459740389,
"volume_molar": 21.24479212569385,
"formula_full": "K1 Br1",
"formula_reduced": "KBr",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-91897",
"created_at": "2022-09-04T14:36:19.728857Z",
"updated_at": "2022-09-04T14:36:19.728876Z",
"structure_string": "Sr1 Mg6 Nb1\n1.0\n6.318287 -1.693638 0.000000\n-4.625878 8.012255 0.000000\n0.000000 0.000000 4.522789\nSr Mg Nb\n1 6 1\ndirect\n0.249984 0.374991 0.250000 Sr\n0.750005 0.375021 0.250000 Mg\n0.750005 0.874981 0.250000 Mg\n0.250015 0.097612 0.750000 Mg\n0.250014 0.652402 0.750000 Mg\n0.695091 0.097546 0.750000 Mg\n0.804866 0.652432 0.750000 Mg\n0.250022 0.875010 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mg-Nb-Sr",
"density": 2.8002775430113163,
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"volume": 193.52635954841313,
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"formula_full": "Sr1 Mg6 Nb1",
"formula_reduced": "SrMg6Nb",
"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-99687",
"created_at": "2022-09-04T14:36:38.029552Z",
"updated_at": "2022-09-04T14:36:38.029572Z",
"structure_string": "K2 Na1 Tm1 Cl6\n1.0\n6.406977 -0.000000 3.699070\n2.135659 6.040556 3.699070\n-0.000000 -0.000000 7.398140\nK Na Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.754191 0.245809 0.245809 Cl\n0.245809 0.245809 0.754191 Cl\n0.245809 0.754191 0.754191 Cl\n0.245809 0.754191 0.245809 Cl\n0.754191 0.245809 0.754191 Cl\n0.754191 0.754191 0.245809 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.8002605073444737,
"density_atomic": 0.03492588138021563,
"volume": 286.32061968992065,
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"formula_full": "K2 Na1 Tm1 Cl6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-48307",
"created_at": "2022-09-04T14:36:54.793863Z",
"updated_at": "2022-09-04T14:36:54.793888Z",
"structure_string": "Li2 Fe1 P4 O12\n1.0\n-5.137428 -0.176338 0.203737\n2.644428 6.774678 -0.350405\n-0.774804 -2.791878 -6.528800\nLi Fe P O\n2 1 4 12\ndirect\n0.942143 0.275908 0.437948 Li\n0.057856 0.724091 0.562051 Li\n0.000000 0.000000 0.000000 Fe\n0.550472 0.205758 0.788538 P\n0.438071 0.578106 0.769932 P\n0.561928 0.421893 0.230067 P\n0.449527 0.794241 0.211461 P\n0.300302 0.011987 0.806065 O\n0.590335 0.659175 0.269783 O\n0.749894 0.727459 0.792958 O\n0.247933 0.561716 0.614697 O\n0.752066 0.438283 0.385302 O\n0.699697 0.988012 0.193934 O\n0.409664 0.340824 0.730215 O\n0.307740 0.640832 0.986640 O\n0.692259 0.359167 0.013358 O\n0.774443 0.170464 0.654647 O\n0.250105 0.272540 0.207041 O\n0.225556 0.829535 0.345351 O\n",
"nsites": 19,
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"formula_full": "Li2 Fe1 P4 O12",
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"formula_anonymous": "AB2C4D12",
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{
"id": "jvasp-42817",
"created_at": "2022-09-04T14:35:47.053819Z",
"updated_at": "2022-09-04T14:35:47.053844Z",
"structure_string": "Li8 Co1 O5 F1\n1.0\n5.243399 0.008417 -0.027492\n-2.143334 4.814675 0.023259\n-2.461346 -1.228364 5.021623\nLi Co O F\n8 1 5 1\ndirect\n0.241598 0.466366 0.355533 Li\n0.125003 0.229552 0.662022 Li\n0.409856 0.888315 0.647185 Li\n0.719125 0.365371 0.011497 Li\n0.325266 0.682111 0.981022 Li\n0.570909 0.096410 0.342709 Li\n0.900008 0.795154 0.364365 Li\n0.762835 0.523295 0.656944 Li\n0.949739 0.961924 0.974452 Co\n0.495512 0.581123 0.761138 O\n0.865299 0.104412 0.231498 O\n0.161791 0.771198 0.228832 O\n0.811695 0.203110 0.751715 O\n0.115031 0.887458 0.756330 O\n0.546335 0.444205 0.274760 F\n",
"nsites": 15,
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"elements": [
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],
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"formula_full": "Li8 Co1 O5 F1",
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}