HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=426",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=424",
"results": [
{
"id": "jvasp-85600",
"created_at": "2022-09-04T14:36:17.250828Z",
"updated_at": "2022-09-04T14:36:17.250854Z",
"structure_string": "Al4 O6\n1.0\n2.859638 -0.032401 0.058922\n0.045655 4.891539 0.491063\n-0.178072 0.677998 9.101188\nAl O\n4 6\ndirect\n0.692934 0.837052 0.948415 Al\n0.193277 0.085044 0.409301 Al\n0.693342 0.634289 0.229246 Al\n0.193005 0.386293 0.768357 Al\n0.693207 0.119391 0.545826 O\n0.693333 0.904906 0.341533 O\n0.192956 0.047297 0.880681 O\n0.692955 0.566439 0.836123 O\n0.193325 0.424045 0.296982 O\n0.693079 0.351948 0.631834 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 2.6784356004761776,
"density_atomic": 0.07909824519262114,
"volume": 126.42505501415187,
"volume_molar": 7.613494768859663,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.74152922,
"spacegroup": 10
},
{
"id": "jvasp-44392",
"created_at": "2022-09-04T14:38:12.384043Z",
"updated_at": "2022-09-04T14:38:12.384077Z",
"structure_string": "Na4 Mn2 C2 S2 O14\n1.0\n0.000000 5.233973 -0.005974\n6.771147 0.000000 0.000000\n0.000000 -0.029287 -8.991181\nNa Mn C S O\n4 2 2 2 14\ndirect\n0.774094 0.495650 0.209150 Na\n0.774094 0.004351 0.209150 Na\n0.225905 0.504351 0.790850 Na\n0.225905 0.995650 0.790850 Na\n0.230720 0.250000 0.363144 Mn\n0.769279 0.750000 0.636856 Mn\n0.285722 0.250000 0.077694 C\n0.714277 0.750000 0.922305 C\n0.278262 0.750000 0.419908 S\n0.721737 0.250000 0.580091 S\n0.527330 0.750000 0.823324 O\n0.813517 0.072148 0.659010 O\n0.813517 0.427853 0.659010 O\n0.179955 0.750000 0.575700 O\n0.434574 0.250000 0.573733 O\n0.565425 0.750000 0.426266 O\n0.056533 0.250000 0.134701 O\n0.186482 0.572148 0.340990 O\n0.186482 0.927853 0.340990 O\n0.472668 0.250000 0.176675 O\n0.943465 0.750000 0.865299 O\n0.670967 0.750000 0.060621 O\n0.820044 0.250000 0.424300 O\n0.329031 0.250000 0.939379 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Mn-Na-O-S",
"density": 2.678438589280907,
"density_atomic": 0.07531806713559662,
"volume": 318.6486445117122,
"volume_molar": 7.995612459303051,
"formula_full": "Na4 Mn2 C2 S2 O14",
"formula_reduced": "Na2MnCSO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.6684416451149424,
"spacegroup": 11
},
{
"id": "jvasp-122918",
"created_at": "2022-09-04T14:38:55.047232Z",
"updated_at": "2022-09-04T14:38:55.047259Z",
"structure_string": "K1 V1\n1.0\n3.821541 0.000000 0.000000\n-0.000000 3.821541 0.000000\n0.000000 0.000000 3.821541\nK V\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"V"
],
"chemical_system": "K-V",
"density": 2.6789712265222176,
"density_atomic": 0.035835578985475104,
"volume": 55.810455882703636,
"volume_molar": 16.804921060270566,
"formula_full": "K1 V1",
"formula_reduced": "KV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-90067",
"created_at": "2022-09-04T14:36:10.615775Z",
"updated_at": "2022-09-04T14:36:10.615797Z",
"structure_string": "Sn1 N2 Cl6\n1.0\n-4.811528 -4.811528 -0.000000\n-4.811528 -0.000000 -4.811528\n0.000000 -4.811528 -4.811528\nSn N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.745260 0.254740 0.254740 Cl\n0.745260 0.254740 0.745260 Cl\n0.745260 0.745260 0.254740 Cl\n0.254740 0.745260 0.745260 Cl\n0.254740 0.745260 0.254740 Cl\n0.254740 0.254740 0.745260 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sn",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sn",
"density": 2.6791568910724544,
"density_atomic": 0.040398334553460355,
"volume": 222.78146115380136,
"volume_molar": 14.90690353096293,
"formula_full": "Sn1 N2 Cl6",
"formula_reduced": "Sn(NCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.5793447338888889,
"spacegroup": 225
},
{
"id": "jvasp-90777",
"created_at": "2022-09-04T14:36:22.222799Z",
"updated_at": "2022-09-04T14:36:22.222828Z",
"structure_string": "Sr6 Mg2\n1.0\n4.340199 0.000000 0.000000\n0.000000 12.880330 0.000000\n0.000000 0.000000 6.366834\nSr Mg\n6 2\ndirect\n0.500000 0.000000 0.916670 Sr\n0.000000 0.282440 0.916654 Sr\n0.500000 0.217560 0.416654 Sr\n0.000000 0.500000 0.416670 Sr\n0.500000 0.782440 0.416654 Sr\n0.000000 0.717560 0.916654 Sr\n0.000000 0.000000 0.416688 Mg\n0.500000 0.500000 0.916688 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.6794795094173054,
"density_atomic": 0.02247655915563956,
"volume": 355.92636509012686,
"volume_molar": 26.792983384598674,
"formula_full": "Sr6 Mg2",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0712336764705882,
"spacegroup": 71
},
{
"id": "jvasp-12468",
"created_at": "2022-09-04T14:36:41.980849Z",
"updated_at": "2022-09-04T14:36:41.980875Z",
"structure_string": "Li4 Zn2 Cl8\n1.0\n6.313980 0.000000 3.645378\n2.104660 5.952877 3.645378\n0.000000 0.000000 7.290756\nLi Zn Cl\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.875000 0.875000 0.875001 Zn\n0.125000 0.125000 0.125000 Zn\n0.254035 0.254036 0.737894 Cl\n0.745965 0.745965 0.745965 Cl\n0.254035 0.254036 0.254036 Cl\n0.745965 0.745965 0.262107 Cl\n0.262106 0.745965 0.745965 Cl\n0.745965 0.262106 0.745965 Cl\n0.737894 0.254036 0.254036 Cl\n0.254035 0.737894 0.254036 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cl"
],
"chemical_system": "Cl-Li-Zn",
"density": 2.679606690292994,
"density_atomic": 0.05108875986834693,
"volume": 274.0328799539717,
"volume_molar": 11.787604113935716,
"formula_full": "Li4 Zn2 Cl8",
"formula_reduced": "Li2ZnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-20766",
"created_at": "2022-09-04T14:37:37.305397Z",
"updated_at": "2022-09-04T14:37:37.305410Z",
"structure_string": "P4 O10\n1.0\n4.795927 -0.036850 -0.800585\n-2.196747 4.263399 -0.800585\n0.022838 0.037137 8.623645\nP O\n4 10\ndirect\n0.737919 0.403579 0.350832 P\n0.052748 0.387087 0.649169 P\n0.153579 0.987920 0.850832 P\n0.137086 0.302747 0.149169 P\n0.915356 0.745302 0.390741 O\n0.354563 0.524616 0.609261 O\n0.495303 0.165356 0.890741 O\n0.274615 0.604562 0.109261 O\n-0.002835 -0.002835 -0.000000 O\n0.747166 0.247166 0.500001 O\n0.845885 0.215264 0.224896 O\n0.990369 0.620990 0.775106 O\n0.965265 0.095885 0.724897 O\n0.370989 0.240369 0.275105 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"P",
"O"
],
"chemical_system": "O-P",
"density": 2.6797432062084665,
"density_atomic": 0.07958358122932997,
"volume": 175.91568240259585,
"volume_molar": 7.567064295142052,
"formula_full": "P4 O10",
"formula_reduced": "P2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.6492455,
"spacegroup": 43
},
{
"id": "jvasp-47710",
"created_at": "2022-09-04T14:37:29.046171Z",
"updated_at": "2022-09-04T14:37:29.046192Z",
"structure_string": "Li3 Co3 Si3 O12\n1.0\n2.740829 -4.747255 -0.000000\n2.740829 4.747255 -0.000000\n-0.000000 -0.000000 11.283955\nLi Co Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.333333 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.666667 Co\n0.500000 0.500000 0.833333 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.166667 Si\n0.391763 0.221637 0.918771 O\n0.391763 0.170126 0.414561 O\n0.829874 0.221638 0.081228 O\n0.778363 0.170126 0.585438 O\n0.170126 0.778363 0.081228 O\n0.221637 0.391763 0.747894 O\n0.608237 0.778363 0.918771 O\n0.608237 0.829874 0.414561 O\n0.829874 0.608237 0.252106 O\n0.170126 0.391763 0.252106 O\n0.221638 0.829874 0.585438 O\n0.778363 0.608237 0.747894 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.6797494933593886,
"density_atomic": 0.071516038935005,
"volume": 293.6404240604707,
"volume_molar": 8.420685554848788,
"formula_full": "Li3 Co3 Si3 O12",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.448583357142857,
"spacegroup": 180
},
{
"id": "jvasp-56858",
"created_at": "2022-09-04T14:37:55.924751Z",
"updated_at": "2022-09-04T14:37:55.924776Z",
"structure_string": "Mn2 Fe1 C6 N6\n1.0\n2.981527 -5.164157 0.000000\n2.981527 5.164157 0.000000\n0.000000 0.000000 6.475485\nMn Fe C N\n2 1 6 6\ndirect\n0.666668 0.333333 0.500004 Mn\n0.333333 0.666668 0.499995 Mn\n0.000000 0.000000 0.000000 Fe\n0.245979 -0.000004 0.821892 C\n0.245983 0.245979 0.178107 C\n0.754022 1.000005 0.178107 C\n1.000004 0.245983 0.821892 C\n-0.000003 0.754018 0.178107 C\n0.754018 0.754022 0.821892 C\n0.615612 0.615615 0.690748 N\n0.615615 0.000003 0.309251 N\n0.999998 0.615612 0.309251 N\n0.384386 0.999998 0.690748 N\n0.384389 0.384386 0.309251 N\n0.000003 0.384389 0.690748 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"C",
"N"
],
"chemical_system": "C-Fe-Mn-N",
"density": 2.679964588444526,
"density_atomic": 0.07522302221464375,
"volume": 199.40703734554197,
"volume_molar": 8.00571498286287,
"formula_full": "Mn2 Fe1 C6 N6",
"formula_reduced": "Mn2Fe(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 6.5530106321839074,
"spacegroup": 162
},
{
"id": "jvasp-30551",
"created_at": "2022-09-04T14:37:31.478189Z",
"updated_at": "2022-09-04T14:37:31.478211Z",
"structure_string": "Cr4 S10\n1.0\n4.175841 0.000012 -0.000004\n-0.000016 5.762483 0.002780\n-0.000004 -0.006546 13.611875\nCr S\n4 10\ndirect\n0.018566 0.120459 0.148898 Cr\n0.518566 0.879668 0.351107 Cr\n0.518564 0.879535 0.648896 Cr\n0.018565 0.120333 0.851106 Cr\n0.518566 0.976491 0.183419 S\n0.018567 0.023705 0.316599 S\n0.018566 0.023511 0.683417 S\n0.518564 0.976288 0.816602 S\n0.018582 0.464605 0.852647 S\n0.518581 0.535263 0.647316 S\n0.518584 0.535398 0.352652 S\n0.518569 0.002142 0.500010 S\n0.018569 -0.002136 0.000010 S\n0.018584 0.464730 0.147318 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 2.679988027864324,
"density_atomic": 0.04274215072323634,
"volume": 327.5455203612167,
"volume_molar": 14.089465920876378,
"formula_full": "Cr4 S10",
"formula_reduced": "Cr2S5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.062934971428571,
"spacegroup": 59
},
{
"id": "jvasp-57818",
"created_at": "2022-09-04T14:37:09.276632Z",
"updated_at": "2022-09-04T14:37:09.276652Z",
"structure_string": "Li4 S2 O8\n1.0\n4.908933 0.005219 -0.000000\n-1.838187 4.551783 -0.000000\n-0.000000 -0.000000 6.093329\nLi S O\n4 2 8\ndirect\n0.499999 0.500000 0.000000 Li\n0.173785 0.826214 0.750000 Li\n0.499999 0.500000 0.500000 Li\n0.826214 0.173786 0.250000 Li\n0.146627 0.853371 0.250000 S\n0.853371 0.146628 0.750000 S\n0.745464 0.818269 0.750000 O\n0.181730 0.254535 0.750000 O\n0.748399 0.251601 0.947200 O\n0.254535 0.181730 0.250000 O\n0.748399 0.251601 0.552801 O\n0.818268 0.745464 0.250000 O\n0.251600 0.748399 0.052801 O\n0.251600 0.748399 0.447199 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"S",
"O"
],
"chemical_system": "Li-O-S",
"density": 2.6806696154268406,
"density_atomic": 0.10278229974472611,
"volume": 136.2102233047024,
"volume_molar": 5.85912241208536,
"formula_full": "Li4 S2 O8",
"formula_reduced": "Li2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8237305714285716,
"spacegroup": 63
},
{
"id": "jvasp-21801",
"created_at": "2022-09-04T14:38:09.592906Z",
"updated_at": "2022-09-04T14:38:09.592933Z",
"structure_string": "Ca8 Cu4\n1.0\n4.170395 -0.000000 0.000000\n0.000000 5.963025 0.000000\n0.000000 0.000000 14.317352\nCa Cu\n8 4\ndirect\n0.749999 0.631120 0.665785 Ca\n0.250000 0.368880 0.334215 Ca\n0.749999 0.131120 0.834215 Ca\n0.250000 0.868881 0.165785 Ca\n0.749999 0.867876 0.407379 Ca\n0.250000 0.132125 0.592621 Ca\n0.749999 0.367875 0.092621 Ca\n0.250000 0.632126 0.907379 Ca\n0.749999 0.883733 0.017048 Cu\n0.250000 0.116268 0.982952 Cu\n0.749999 0.383733 0.482952 Cu\n0.250000 0.616268 0.517048 Cu\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Cu"
],
"chemical_system": "Ca-Cu",
"density": 2.6808059425067396,
"density_atomic": 0.03370347818735815,
"volume": 356.04633840139036,
"volume_molar": 17.868009724464716,
"formula_full": "Ca8 Cu4",
"formula_reduced": "Ca2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}