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=-nsites&page=518",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=516",
"results": [
{
"id": "jvasp-45184",
"created_at": "2022-09-04T14:38:04.006021Z",
"updated_at": "2022-09-04T14:38:04.006042Z",
"structure_string": "Li4 Cr6 O12\n1.0\n5.036489 -0.027511 -0.000000\n2.481688 4.312993 0.000000\n-0.000000 -0.000000 9.942040\nLi Cr O\n4 6 12\ndirect\n0.500000 0.147030 0.750000 Li\n0.500000 0.352970 0.250000 Li\n0.500001 0.647029 0.750000 Li\n0.500001 0.852970 0.250000 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.323866 0.338068 0.000000 Cr\n0.323866 0.838067 0.500000 Cr\n0.676135 0.161932 0.500000 Cr\n0.676135 0.661932 0.000000 Cr\n0.660880 0.330247 0.893291 O\n0.660880 0.008873 0.106709 O\n0.339120 0.669752 0.106709 O\n0.339120 0.491127 0.606709 O\n0.339120 0.169753 0.393291 O\n0.000000 0.171684 0.601666 O\n0.339121 0.991127 0.893291 O\n0.000000 0.671684 0.898334 O\n0.000000 0.328315 0.101666 O\n0.660881 0.508872 0.393291 O\n0.000001 0.828315 0.398334 O\n0.660881 0.830247 0.606709 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.075660816481073,
"density_atomic": 0.10154947366060607,
"volume": 216.6431711259024,
"volume_molar": 5.930253050967964,
"formula_full": "Li4 Cr6 O12",
"formula_reduced": "Li2Cr3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 3.135848472727272,
"spacegroup": 64
},
{
"id": "jvasp-49941",
"created_at": "2022-09-04T14:38:03.995430Z",
"updated_at": "2022-09-04T14:38:03.995454Z",
"structure_string": "Na12 Cu2 O8\n1.0\n7.498902 0.000000 -0.000000\n0.000000 7.498902 0.000000\n0.000000 -0.000000 5.296991\nNa Cu O\n12 2 8\ndirect\n0.210444 0.789556 0.500000 Na\n0.289556 0.710444 0.000000 Na\n0.000000 0.500000 0.397363 Na\n0.000000 0.500000 0.897363 Na\n0.289556 0.289556 0.000000 Na\n0.710444 0.289556 0.000000 Na\n0.710444 0.710444 0.000000 Na\n0.210444 0.210444 0.500000 Na\n0.500000 0.000000 0.102637 Na\n0.500000 0.000000 0.602636 Na\n0.789556 0.789556 0.500000 Na\n0.789556 0.210444 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.249815 0.500000 0.664047 O\n0.500000 0.750185 0.335952 O\n0.749815 0.000000 0.835952 O\n0.250185 0.000000 0.835952 O\n0.500000 0.249815 0.335952 O\n0.000000 0.250185 0.164048 O\n0.750185 0.500000 0.664047 O\n0.000000 0.749815 0.164048 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 2.959987899067208,
"density_atomic": 0.07385809294321259,
"volume": 297.86850869430356,
"volume_molar": 8.153664033310818,
"formula_full": "Na12 Cu2 O8",
"formula_reduced": "Na6CuO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4341632272727271,
"spacegroup": 137
},
{
"id": "jvasp-29244",
"created_at": "2022-09-04T14:38:03.653625Z",
"updated_at": "2022-09-04T14:38:03.653645Z",
"structure_string": "Sb8 Br4 O10\n1.0\n5.181829 0.000000 0.000000\n0.000000 6.577290 -0.879948\n0.000000 0.095104 13.656607\nSb Br O\n8 4 10\ndirect\n0.778228 0.820878 0.948397 Sb\n0.278227 0.179121 0.551604 Sb\n0.221773 0.179122 0.051603 Sb\n0.721773 0.820878 0.448397 Sb\n0.876046 0.195568 0.797892 Sb\n0.376046 0.804431 0.702108 Sb\n0.123955 0.804432 0.202108 Sb\n0.623955 0.195568 0.297892 Sb\n0.791400 0.503281 0.617932 Br\n0.291400 0.496718 0.882068 Br\n0.208601 0.496718 0.382068 Br\n0.708601 0.503282 0.117932 Br\n0.162569 0.075036 0.709865 O\n0.337431 0.075036 0.209865 O\n0.837431 0.924964 0.290135 O\n0.993457 0.931997 0.082539 O\n0.493457 0.068003 0.417461 O\n0.006543 0.068003 0.917461 O\n0.506544 0.931996 0.582539 O\n0.500000 0.000000 0.000000 O\n0.000000 -0.000000 0.500000 O\n0.662569 0.924963 0.790135 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.181357830796882,
"density_atomic": 0.04722210762314819,
"volume": 465.8834835490409,
"volume_molar": 12.752799616779402,
"formula_full": "Sb8 Br4 O10",
"formula_reduced": "Sb4Br2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.898088191818182,
"spacegroup": 14
},
{
"id": "jvasp-46669",
"created_at": "2022-09-04T14:38:04.293983Z",
"updated_at": "2022-09-04T14:38:04.293997Z",
"structure_string": "Li4 V2 C4 O12\n1.0\n0.000000 4.867408 -0.037985\n5.679691 0.000000 0.000000\n0.000000 -0.368057 -8.090020\nLi V C O\n4 2 4 12\ndirect\n0.231965 0.263952 0.547509 Li\n0.768035 0.763952 0.452492 Li\n0.731965 0.236051 0.047508 Li\n0.268035 0.736050 0.952492 Li\n0.250001 -0.000002 0.249997 V\n0.749999 0.499998 0.750003 V\n0.254073 0.209469 0.883844 C\n0.745926 0.709469 0.116156 C\n0.754073 0.290535 0.383845 C\n0.245927 0.790534 0.616155 C\n0.005522 0.751536 0.116986 O\n-0.005523 0.251536 0.883014 O\n0.899640 0.225995 0.261155 O\n0.874069 0.402690 0.508306 O\n0.625933 0.597312 0.991695 O\n0.374067 0.097312 0.008305 O\n0.505521 0.748466 0.616987 O\n0.494479 0.248467 0.383014 O\n0.399639 0.274007 0.761156 O\n0.100360 0.725995 0.738846 O\n0.600361 0.774006 0.238845 O\n0.125931 0.902690 0.491695 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.743796427286713,
"density_atomic": 0.09833235937194476,
"volume": 223.73102954628004,
"volume_molar": 6.124271601397352,
"formula_full": "Li4 V2 C4 O12",
"formula_reduced": "Li2V(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3846204727272724,
"spacegroup": 14
},
{
"id": "jvasp-40658",
"created_at": "2022-09-04T14:38:00.462394Z",
"updated_at": "2022-09-04T14:38:00.462419Z",
"structure_string": "Li8 V2 F12\n1.0\n0.000000 5.154006 0.676586\n8.865174 0.000000 0.000000\n0.000000 -2.467329 -5.430313\nLi V F\n8 2 12\ndirect\n0.244076 0.834191 0.895486 Li\n0.744076 0.665808 0.895486 Li\n0.069998 0.159912 0.593946 Li\n0.569998 0.340088 0.593946 Li\n0.430002 0.659912 0.406053 Li\n0.930002 0.840087 0.406053 Li\n0.255924 0.334191 0.104513 Li\n0.755924 0.165809 0.104513 Li\n0.500000 0.000000 0.499999 V\n-0.000000 0.500000 0.500000 V\n0.547159 0.176506 0.287974 F\n0.002361 0.668703 0.253217 F\n0.029058 0.013723 0.290249 F\n0.047159 0.323493 0.287975 F\n0.952841 0.676506 0.712024 F\n0.497639 0.168703 0.746782 F\n-0.002361 0.331297 0.746782 F\n0.452841 0.823493 0.712024 F\n0.470942 0.513723 0.709750 F\n0.529059 0.486277 0.290249 F\n0.970942 0.986276 0.709750 F\n0.502361 0.831297 0.253217 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.7428567216096167,
"density_atomic": 0.09429185771012849,
"volume": 233.318130899831,
"volume_molar": 6.386702846085854,
"formula_full": "Li8 V2 F12",
"formula_reduced": "Li4VF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4186914450000001,
"spacegroup": 14
},
{
"id": "jvasp-32974",
"created_at": "2022-09-04T14:38:03.578341Z",
"updated_at": "2022-09-04T14:38:03.578361Z",
"structure_string": "Tl4 Pt2 C8 N8\n1.0\n6.123351 0.000000 -1.643969\n0.000000 7.305080 0.000000\n-0.027969 0.000000 9.568122\nTl Pt C N\n4 2 8 8\ndirect\n0.731841 0.649716 0.417716 Tl\n0.768159 0.149716 0.082284 Tl\n0.268159 0.350284 0.582284 Tl\n0.231841 0.850284 0.917715 Tl\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.195716 0.500013 0.200852 C\n0.708740 0.162252 0.435689 C\n0.208740 0.337748 0.935689 C\n0.304284 0.000013 0.299147 C\n0.804284 0.499987 0.799147 C\n0.695716 -0.000013 0.700852 C\n0.791259 0.662252 0.064311 C\n0.291259 0.837748 0.564311 C\n0.328787 0.241354 0.895516 N\n0.810128 0.000393 0.818821 N\n0.671212 0.758646 0.104484 N\n0.310128 0.499607 0.318821 N\n0.828787 0.258646 0.395516 N\n0.189872 0.999607 0.181178 N\n0.171212 0.741354 0.604484 N\n0.689872 0.500393 0.681178 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tl",
"Pt",
"C",
"N"
],
"chemical_system": "C-N-Pt-Tl",
"density": 5.497478347111061,
"density_atomic": 0.051442588143515995,
"volume": 427.66121989476454,
"volume_molar": 11.706527562725386,
"formula_full": "Tl4 Pt2 C8 N8",
"formula_reduced": "Tl2Pt(CN)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 5.082214509090909,
"spacegroup": 14
},
{
"id": "jvasp-24901",
"created_at": "2022-09-04T14:37:43.575146Z",
"updated_at": "2022-09-04T14:37:43.575177Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n7.054386 -0.005294 -1.919556\n-3.361993 6.487411 -0.244130\n-0.073651 -0.021869 13.751012\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.565827 0.150494 0.716320 S\n0.434174 0.849507 0.283680 S\n0.172936 0.794870 0.967807 Cl\n0.891640 0.701235 0.592873 Cl\n0.148111 0.036970 0.185080 Cl\n0.827065 0.205130 0.032193 Cl\n0.384352 0.211870 0.596222 Cl\n0.772368 0.431132 0.802215 Cl\n0.366333 0.687910 0.612857 Cl\n0.693161 0.693161 -0.000000 Cl\n0.615649 0.788131 0.403778 Cl\n0.306840 0.306840 -0.000000 Cl\n0.108362 0.298765 0.407127 Cl\n0.075052 0.753475 0.387142 Cl\n0.628918 0.970152 0.197784 Cl\n0.924950 0.246526 0.612857 Cl\n0.633668 0.312090 0.387142 Cl\n0.227633 0.568868 0.197785 Cl\n0.371084 0.029848 0.802215 Cl\n0.851891 0.963031 0.814920 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.500985904168669,
"density_atomic": 0.03503351238686429,
"volume": 627.9701491834667,
"volume_molar": 17.189657415731975,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4434647915909088,
"spacegroup": 12
},
{
"id": "jvasp-57356",
"created_at": "2022-09-04T14:37:43.317559Z",
"updated_at": "2022-09-04T14:37:43.317592Z",
"structure_string": "Ni4 P4 O14\n1.0\n0.000000 4.477799 -0.006494\n9.917004 0.000000 0.000000\n0.000000 -0.671980 -5.190748\nNi P O\n4 4 14\ndirect\n0.098351 0.343122 0.420123 Ni\n0.901650 0.656877 0.579877 Ni\n0.901650 0.843122 0.079877 Ni\n0.098351 0.156878 0.920123 Ni\n0.643742 0.387940 0.842726 P\n0.356259 0.887940 0.657274 P\n0.643742 0.112060 0.342725 P\n0.356259 0.612060 0.157274 P\n0.500000 0.500000 -0.000000 O\n0.785527 0.457648 0.624782 O\n0.114830 0.821857 0.462326 O\n0.500000 0.000000 0.500000 O\n0.885171 0.178143 0.537673 O\n0.384227 0.206424 0.239745 O\n0.214474 0.542351 0.375218 O\n0.114830 0.678143 0.962326 O\n0.214474 0.957648 0.875218 O\n0.785527 0.042352 0.124781 O\n0.615773 0.706424 0.260254 O\n0.885171 0.321857 0.037673 O\n0.615773 0.793576 0.760255 O\n0.384227 0.293576 0.739745 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 4.1967000306485,
"density_atomic": 0.09542586867149712,
"volume": 230.54545173421312,
"volume_molar": 6.3108052814600795,
"formula_full": "Ni4 P4 O14",
"formula_reduced": "Ni2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5822591181818177,
"spacegroup": 14
},
{
"id": "jvasp-51707",
"created_at": "2022-09-04T14:37:54.246343Z",
"updated_at": "2022-09-04T14:37:54.246376Z",
"structure_string": "Li8 H12 Os2\n1.0\n4.076941 2.353823 3.333973\n-4.076941 2.353823 3.333973\n-0.000000 -4.707646 3.333973\nLi H Os\n8 12 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.750000 Li\n0.638133 0.861865 0.250000 Li\n0.861865 0.249999 0.638134 Li\n0.249999 0.638133 0.861866 Li\n0.138134 0.749999 0.361866 Li\n0.749999 0.361865 0.138134 Li\n0.361865 0.138134 0.750000 Li\n0.292509 0.953809 0.055563 H\n0.055562 0.292509 0.953810 H\n0.953809 0.055562 0.292509 H\n0.555562 0.453808 0.792510 H\n0.792508 0.555562 0.453810 H\n0.453808 0.792508 0.555563 H\n0.444437 0.546190 0.207491 H\n0.944436 0.707490 0.046191 H\n0.046190 0.944436 0.707491 H\n0.499999 0.499999 0.500000 H\n0.207490 0.444436 0.546191 H\n0.546190 0.207490 0.444437 H\n0.707490 0.046190 0.944437 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"H",
"Os"
],
"chemical_system": "H-Li-Os",
"density": 3.8760224042654077,
"density_atomic": 0.11460435554307241,
"volume": 191.96478088244749,
"volume_molar": 5.2547224156211625,
"formula_full": "Li8 H12 Os2",
"formula_reduced": "Li4H6Os",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.619354090909091,
"spacegroup": 1
},
{
"id": "jvasp-14121",
"created_at": "2022-09-04T14:38:02.012513Z",
"updated_at": "2022-09-04T14:38:02.012534Z",
"structure_string": "Ti2 P2 Cl18\n1.0\n6.822463 -0.065378 0.056659\n-0.889405 8.803935 0.084756\n-1.051659 -1.865178 9.098709\nTi P Cl\n2 2 18\ndirect\n0.381486 0.365314 0.318976 Ti\n0.618513 0.634685 0.681025 Ti\n0.048943 0.189094 0.776978 P\n0.951056 0.810905 0.223023 P\n0.736733 0.942717 0.233229 Cl\n0.263266 0.057282 0.766772 Cl\n0.063830 0.801225 0.421475 Cl\n0.936169 0.198774 0.578525 Cl\n0.714858 0.485282 0.449570 Cl\n0.158546 0.902355 0.121020 Cl\n0.285141 0.514717 0.550431 Cl\n0.515498 0.240456 0.122873 Cl\n0.053212 0.287817 0.242888 Cl\n0.841453 0.097644 0.878980 Cl\n0.585398 0.839044 0.560752 Cl\n0.414601 0.160955 0.439249 Cl\n0.625109 0.413758 0.783006 Cl\n0.374889 0.586241 0.216994 Cl\n0.844553 0.604268 0.113315 Cl\n0.946787 0.712182 0.757113 Cl\n0.484501 0.759543 0.877128 Cl\n0.155446 0.395731 0.886685 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ti",
"P",
"Cl"
],
"chemical_system": "Cl-P-Ti",
"density": 2.4129192434214017,
"density_atomic": 0.0401691876839611,
"volume": 547.6834675644745,
"volume_molar": 14.991940607264363,
"formula_full": "Ti2 P2 Cl18",
"formula_reduced": "TiPCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7497818582575759,
"spacegroup": 2
},
{
"id": "jvasp-54838",
"created_at": "2022-09-04T14:37:43.846302Z",
"updated_at": "2022-09-04T14:37:43.846321Z",
"structure_string": "Sr6 Ga6 N10\n1.0\n5.992450 0.017825 -0.006112\n-0.667785 7.193823 0.006614\n-2.083257 -2.952078 7.952091\nSr Ga N\n6 6 10\ndirect\n0.668093 0.862946 0.873061 Sr\n0.331907 0.137054 0.126938 Sr\n0.183157 0.591191 0.392169 Sr\n0.655501 0.653893 0.201394 Sr\n0.344499 0.346107 0.798605 Sr\n0.816844 0.408809 0.607831 Sr\n0.124726 0.876828 0.716951 Ga\n0.875275 0.123172 0.283049 Ga\n0.908041 0.315486 0.972715 Ga\n0.289840 0.046712 0.432874 Ga\n0.710160 0.953288 0.567125 Ga\n0.091959 0.684514 0.027285 Ga\n0.234994 0.472106 0.095515 N\n0.611487 0.052113 0.380019 N\n0.739102 0.225063 0.107859 N\n0.042834 0.891003 0.223241 N\n0.159173 0.289943 0.474832 N\n0.957167 0.108997 0.776758 N\n0.260899 0.774937 0.892141 N\n0.388514 0.947886 0.619981 N\n0.765006 0.527894 0.904485 N\n0.840828 0.710057 0.525168 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"N"
],
"chemical_system": "Ga-N-Sr",
"density": 5.249844526961092,
"density_atomic": 0.06415650038960631,
"volume": 342.9114722031209,
"volume_molar": 9.3866416083001,
"formula_full": "Sr6 Ga6 N10",
"formula_reduced": "Sr3Ga3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 2.436551105,
"spacegroup": 2
},
{
"id": "jvasp-36858",
"created_at": "2022-09-04T14:38:01.921857Z",
"updated_at": "2022-09-04T14:38:01.921881Z",
"structure_string": "Ca6 Ti2 Ni2 O12\n1.0\n6.419142 -0.029826 -0.250770\n-0.259590 6.413960 -0.250770\n-0.028776 -0.029826 6.423974\nCa Ti Ni O\n6 2 2 12\ndirect\n0.608557 0.891444 0.250000 Ca\n0.108557 0.750000 0.391444 Ca\n0.750000 0.391443 0.108557 Ca\n0.391444 0.108555 0.749999 Ca\n0.891443 0.249999 0.608555 Ca\n0.249999 0.608556 0.891442 Ca\n0.499999 0.499998 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ni\n0.250000 0.250000 0.250000 Ni\n0.543024 0.206681 0.419495 O\n0.956975 0.080503 0.293319 O\n0.080504 0.293319 0.956975 O\n0.293319 0.956975 0.080503 O\n0.919495 0.706680 0.043024 O\n0.206681 0.419495 0.543025 O\n0.456975 0.793319 0.580504 O\n0.580504 0.456975 0.793319 O\n0.793319 0.580503 0.456974 O\n0.419495 0.543024 0.206680 O\n0.043025 0.919496 0.706680 O\n0.706680 0.043023 0.919496 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O-Ti",
"density": 4.055396763270889,
"density_atomic": 0.08322538055593909,
"volume": 264.3424380043889,
"volume_molar": 7.235942593200017,
"formula_full": "Ca6 Ti2 Ni2 O12",
"formula_reduced": "Ca3TiNiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7257048175757577,
"spacegroup": 167
}
]
}