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=nelements&page=4523",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4521",
"results": [
{
"id": "jvasp-28672",
"created_at": "2022-09-04T14:37:32.053980Z",
"updated_at": "2022-09-04T14:37:32.054007Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225414 -0.000048 -0.000005\n-1.612749 2.793186 -0.000035\n-0.000051 -0.000442 33.071278\nMo W Se S\n2 2 2 6\ndirect\n0.333259 0.666556 0.091887 Mo\n0.333244 0.666433 0.468224 Mo\n0.666814 0.333575 0.280268 W\n0.666680 0.333442 0.662540 W\n0.333315 0.666694 0.714563 Se\n0.333358 0.666812 0.610471 Se\n0.333411 0.666761 0.327579 S\n0.666587 0.333206 0.044857 S\n0.666515 0.332969 0.421173 S\n0.666616 0.333280 0.138952 S\n0.666668 0.333289 0.515298 S\n0.333524 0.666992 0.232942 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.071026426306089,
"density_atomic": 0.04027621741230963,
"volume": 297.94257681041415,
"volume_molar": 14.952101132911881,
"formula_full": "Mo2 W2 Se2 S6",
"formula_reduced": "MoWSeS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.754304877777777,
"spacegroup": 156
},
{
"id": "jvasp-40726",
"created_at": "2022-09-04T14:37:20.196883Z",
"updated_at": "2022-09-04T14:37:20.196898Z",
"structure_string": "Li4 V8 O12 F4\n1.0\n5.784142 -0.000426 -0.000016\n0.000319 6.068663 -0.001099\n0.000676 0.001570 8.482303\nLi V O F\n4 8 12 4\ndirect\n0.015839 0.000003 0.019389 Li\n0.515874 0.000001 0.230537 Li\n0.484154 0.499998 0.519385 Li\n0.984134 0.500003 0.730533 Li\n0.499982 0.749959 0.875007 V\n0.499983 0.250038 0.875006 V\n0.260037 -0.000000 0.646438 V\n0.759805 -0.000001 0.603578 V\n0.000016 0.249960 0.375010 V\n0.239970 0.500000 0.146440 V\n0.740192 0.500000 0.103577 V\n0.000021 0.750037 0.375005 V\n0.014342 0.777080 0.610279 O\n0.727736 0.500000 0.877710 O\n0.272350 -0.000003 0.872319 O\n0.514353 0.776898 0.639720 O\n0.514354 0.223100 0.639718 O\n0.014344 0.222921 0.610283 O\n0.485656 0.277070 0.110281 O\n0.227649 0.499999 0.372317 O\n0.985644 0.276909 0.139722 O\n0.985654 0.723091 0.139718 O\n0.485661 0.722929 0.110283 O\n0.772262 -0.000005 0.377712 O\n0.749707 0.000000 0.872032 F\n0.750290 0.499998 0.372034 F\n0.249796 0.000003 0.377978 F\n0.250207 0.499996 0.877978 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.9222302835449323,
"density_atomic": 0.09403992312183955,
"volume": 297.745883561844,
"volume_molar": 6.403812933999982,
"formula_full": "Li4 V8 O12 F4",
"formula_reduced": "LiV2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.3287484546428576,
"spacegroup": 62
},
{
"id": "jvasp-10710",
"created_at": "2022-09-04T14:37:20.129300Z",
"updated_at": "2022-09-04T14:37:20.129329Z",
"structure_string": "Rb2 Sm4 Cu2 S8\n1.0\n4.039956 0.000000 0.000000\n-2.019978 6.945563 0.000000\n0.000000 -0.000000 13.923292\nRb Sm Cu S\n2 4 2 8\ndirect\n0.892622 0.785243 0.250000 Rb\n0.107378 0.214756 0.750000 Rb\n0.365744 0.731488 0.938115 Sm\n0.634256 0.268511 0.438115 Sm\n0.365744 0.731488 0.561885 Sm\n0.634256 0.268511 0.061885 Sm\n0.836144 0.672288 0.750000 Cu\n0.163856 0.327712 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.572928 0.145854 0.250000 S\n0.427073 0.854145 0.750000 S\n0.261634 0.523268 0.388453 S\n0.738366 0.476732 0.888453 S\n0.738366 0.476732 0.611547 S\n0.261634 0.523268 0.111547 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S-Sm",
"density": 4.913333591514718,
"density_atomic": 0.04095377701167484,
"volume": 390.6843560592427,
"volume_molar": 14.70472615574199,
"formula_full": "Rb2 Sm4 Cu2 S8",
"formula_reduced": "RbSm2CuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1278810249999998,
"spacegroup": 63
},
{
"id": "jvasp-57518",
"created_at": "2022-09-04T14:37:28.803373Z",
"updated_at": "2022-09-04T14:37:28.803389Z",
"structure_string": "Sr2 Ca2 C4 O12\n1.0\n5.290251 0.000000 0.000000\n0.000000 6.432407 0.000000\n0.000000 0.000000 7.315047\nSr Ca C O\n2 2 4 12\ndirect\n0.000000 0.112407 0.255679 Sr\n0.000000 0.887594 0.755680 Sr\n0.500000 0.482120 0.549420 Ca\n0.500000 0.517880 0.049420 Ca\n0.500000 0.962269 0.076696 C\n0.500000 0.037731 0.576696 C\n0.000000 0.587619 0.338053 C\n0.000000 0.412381 0.838053 C\n0.000000 0.241114 0.924481 O\n0.210757 0.506912 0.795769 O\n0.500000 0.151979 0.134371 O\n0.711475 0.137319 0.551882 O\n0.711475 0.862681 0.051882 O\n0.288524 0.862681 0.051882 O\n0.210757 0.493088 0.295768 O\n0.789242 0.506912 0.795769 O\n0.500000 0.848021 0.634371 O\n0.789242 0.493088 0.295768 O\n0.000000 0.758886 0.424480 O\n0.288524 0.137319 0.551882 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"C",
"O"
],
"chemical_system": "C-Ca-O-Sr",
"density": 3.304957555880137,
"density_atomic": 0.0803457817959685,
"volume": 248.92408229704395,
"volume_molar": 7.495279310733113,
"formula_full": "Sr2 Ca2 C4 O12",
"formula_reduced": "SrCa(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.816367773,
"spacegroup": 26
},
{
"id": "jvasp-11066",
"created_at": "2022-09-04T14:37:11.122458Z",
"updated_at": "2022-09-04T14:37:11.122484Z",
"structure_string": "Ba2 Pr1 Ru1 O6\n1.0\n5.261033 -0.000000 3.037459\n1.753678 4.960150 3.037459\n0.000000 0.000000 6.074918\nBa Pr Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ru\n0.271291 0.728709 0.728709 O\n0.271291 0.728709 0.271291 O\n0.728709 0.271291 0.728709 O\n0.271291 0.271291 0.728709 O\n0.728709 0.271291 0.271292 O\n0.728709 0.728709 0.271292 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ru",
"O"
],
"chemical_system": "Ba-O-Pr-Ru",
"density": 6.417113472067731,
"density_atomic": 0.06308029907386546,
"volume": 158.5281006402688,
"volume_molar": 9.546785364711448,
"formula_full": "Ba2 Pr1 Ru1 O6",
"formula_reduced": "Ba2PrRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.157634329,
"spacegroup": 225
},
{
"id": "jvasp-11611",
"created_at": "2022-09-04T14:37:20.124959Z",
"updated_at": "2022-09-04T14:37:20.124982Z",
"structure_string": "Zn2 Cu1 As2 O8\n1.0\n-5.143490 0.019907 -0.049064\n2.030823 4.955688 0.030423\n-0.373850 -2.403410 -6.311256\nZn Cu As O\n2 1 2 8\ndirect\n0.766384 0.265737 0.815883 Zn\n0.233617 0.734264 0.184117 Zn\n0.500001 0.500001 0.500000 Cu\n0.134245 0.860615 0.725013 As\n0.865756 0.139386 0.274987 As\n0.731834 0.294088 0.509619 O\n0.268167 0.705913 0.490381 O\n0.634281 0.797647 0.147645 O\n0.365720 0.202354 0.852355 O\n0.909591 0.348129 0.121937 O\n0.813970 0.873367 0.666726 O\n0.186031 0.126634 0.333274 O\n0.090410 0.651872 0.878063 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-O-Zn",
"density": 4.873327943872567,
"density_atomic": 0.08079634265967128,
"volume": 160.89837203100066,
"volume_molar": 7.453481880196407,
"formula_full": "Zn2 Cu1 As2 O8",
"formula_reduced": "Zn2Cu(AsO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.8227671346153849,
"spacegroup": 2
},
{
"id": "jvasp-10548",
"created_at": "2022-09-04T14:37:10.438976Z",
"updated_at": "2022-09-04T14:37:10.439002Z",
"structure_string": "Ba4 Na1 B3 N6\n1.0\n6.491459 -0.000000 -2.295077\n-3.245729 5.621768 -2.295077\n-0.000000 -0.000000 6.885232\nBa Na B N\n4 1 3 6\ndirect\n-0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 B\n0.500000 0.000000 0.500000 B\n-0.000000 0.500000 0.500000 B\n-0.000000 0.670080 0.670079 N\n0.329920 0.329920 -0.000000 N\n-0.000000 0.329920 0.329920 N\n0.329920 0.000000 0.329920 N\n0.670080 0.000000 0.670079 N\n0.670080 0.670080 -0.000000 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Na",
"B",
"N"
],
"chemical_system": "B-Ba-N-Na",
"density": 4.551872778305022,
"density_atomic": 0.055717833292204824,
"volume": 251.2660520479834,
"volume_molar": 10.808282383160302,
"formula_full": "Ba4 Na1 B3 N6",
"formula_reduced": "Ba4Na(BN2)3",
"formula_anonymous": "AB3C4D6",
"energy_above_hull": 3.684690723571429,
"spacegroup": 229
},
{
"id": "jvasp-42369",
"created_at": "2022-09-04T14:37:28.723140Z",
"updated_at": "2022-09-04T14:37:28.723168Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.209526 -0.059381 -0.031121\n-2.288042 5.264983 -0.022638\n-0.066570 -2.564509 8.736989\nLi Mn B O\n2 4 4 12\ndirect\n0.254190 0.673088 0.189309 Li\n0.745811 0.326912 0.810691 Li\n0.760068 0.744335 0.398663 Mn\n0.277341 0.752014 0.870275 Mn\n0.722660 0.247985 0.129725 Mn\n0.239933 0.255664 0.601337 Mn\n0.780088 0.744342 0.054033 B\n0.274239 0.741640 0.530111 B\n0.725762 0.258360 0.469889 B\n0.219913 0.255658 0.945967 B\n0.622200 0.282067 0.606945 O\n0.141003 0.332790 0.825325 O\n0.664195 0.359349 0.358464 O\n0.887604 0.704721 0.919106 O\n0.112397 0.295279 0.080894 O\n0.566700 0.838822 0.070626 O\n0.858998 0.667209 0.174675 O\n0.377800 0.717932 0.393055 O\n0.088950 0.863106 0.559064 O\n0.911051 0.136894 0.440936 O\n0.335806 0.640651 0.641536 O\n0.433301 0.161177 0.929374 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.271948953352288,
"density_atomic": 0.09245422218186598,
"volume": 237.95560095377763,
"volume_molar": 6.513646016245633,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.391447331765935,
"spacegroup": 2
},
{
"id": "jvasp-27680",
"created_at": "2022-09-04T14:37:28.730772Z",
"updated_at": "2022-09-04T14:37:28.730797Z",
"structure_string": "Ca1 Co4 Cu3 O12\n1.0\n5.839803 -0.000000 -2.064682\n-2.919901 5.057418 -2.064682\n-0.000000 -0.000000 6.194046\nCa Co Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500001 Cu\n0.500000 0.000000 0.500000 Cu\n0.694519 0.517756 0.823237 O\n0.176764 0.305481 0.482244 O\n0.517756 0.823236 0.694520 O\n0.694519 0.871283 0.176765 O\n0.128717 0.823236 0.305482 O\n0.176764 0.694519 0.871284 O\n0.305481 0.482244 0.176764 O\n0.823236 0.694519 0.517757 O\n0.871283 0.176764 0.694520 O\n0.823236 0.305481 0.128717 O\n0.482244 0.176764 0.305481 O\n0.305481 0.128717 0.823237 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Cu",
"O"
],
"chemical_system": "Ca-Co-Cu-O",
"density": 5.9767470070083215,
"density_atomic": 0.10932727479194485,
"volume": 182.93696644374407,
"volume_molar": 5.508360810658117,
"formula_full": "Ca1 Co4 Cu3 O12",
"formula_reduced": "CaCo4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.4900383685,
"spacegroup": 204
},
{
"id": "jvasp-57567",
"created_at": "2022-09-04T14:37:20.086020Z",
"updated_at": "2022-09-04T14:37:20.086049Z",
"structure_string": "Ag4 Hg4 S4 Br4\n1.0\n4.662169 0.000000 0.000000\n0.000000 9.797805 0.000000\n0.000000 0.000000 9.487843\nAg Hg S Br\n4 4 4 4\ndirect\n0.000000 0.207013 0.411642 Ag\n0.000000 0.792988 0.588358 Ag\n0.000000 0.207013 0.088358 Ag\n0.000000 0.792988 0.911642 Ag\n0.500000 0.229439 0.750000 Hg\n0.500000 0.770561 0.250000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.253448 0.003608 S\n0.500000 0.746552 -0.003608 S\n0.500000 0.746552 0.503608 S\n0.500000 0.253448 0.496392 S\n0.000000 0.021812 0.750000 Br\n0.000000 0.517782 0.750000 Br\n0.000000 0.482219 0.250000 Br\n0.000000 0.978188 0.250000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"S",
"Br"
],
"chemical_system": "Ag-Br-Hg-S",
"density": 6.443407534798398,
"density_atomic": 0.03691778948841566,
"volume": 433.3953961414889,
"volume_molar": 16.312300501875043,
"formula_full": "Ag4 Hg4 S4 Br4",
"formula_reduced": "AgHgSBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-12649",
"created_at": "2022-09-04T14:37:20.011881Z",
"updated_at": "2022-09-04T14:37:20.011912Z",
"structure_string": "Ba2 Mn1 Mo1 O6\n1.0\n5.004593 -0.000000 2.889403\n1.668198 4.718375 2.889403\n-0.000000 -0.000000 5.778805\nBa Mn Mo O\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mo\n0.260545 0.739455 0.739456 O\n0.260545 0.739455 0.260544 O\n0.739456 0.260544 0.739456 O\n0.260544 0.260544 0.739456 O\n0.739456 0.260544 0.260544 O\n0.739456 0.739455 0.260544 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Mo",
"O"
],
"chemical_system": "Ba-Mn-Mo-O",
"density": 6.346405824451107,
"density_atomic": 0.07328257849509258,
"volume": 136.4580805609843,
"volume_molar": 8.217697689776672,
"formula_full": "Ba2 Mn1 Mo1 O6",
"formula_reduced": "Ba2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6401146081379308,
"spacegroup": 225
},
{
"id": "jvasp-57484",
"created_at": "2022-09-04T14:37:14.558284Z",
"updated_at": "2022-09-04T14:37:14.558305Z",
"structure_string": "Sr2 Ti2 Si4 O14\n1.0\n5.059328 0.000000 -1.869518\n0.000000 7.135591 -0.000000\n-0.015274 0.000000 7.739254\nSr Ti Si O\n2 2 4 14\ndirect\n0.801357 0.250000 0.602712 Sr\n0.198645 0.750000 0.397287 Sr\n0.890696 0.750000 0.781389 Ti\n0.109305 0.250000 0.218610 Ti\n0.609805 0.524850 0.219610 Si\n0.609805 0.975150 0.219610 Si\n0.390196 0.024850 0.780390 Si\n0.390196 0.475150 0.780390 Si\n0.992672 0.250000 0.985341 O\n0.595823 0.562710 0.690362 O\n0.905460 0.437290 0.309637 O\n0.500000 0.500000 -0.000000 O\n0.595823 0.937289 0.690362 O\n0.905460 0.062710 0.309637 O\n0.094541 0.937289 0.690362 O\n0.404178 0.062710 0.309638 O\n0.094541 0.562710 0.690362 O\n0.404178 0.437290 0.309638 O\n0.007329 0.750000 0.014658 O\n0.359346 0.250000 0.718690 O\n0.640655 0.750000 0.281310 O\n0.500000 0.000000 -0.000000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"Si",
"O"
],
"chemical_system": "O-Si-Sr-Ti",
"density": 3.6120417644045717,
"density_atomic": 0.07879844196955947,
"volume": 279.1933374583573,
"volume_molar": 7.642461715583674,
"formula_full": "Sr2 Ti2 Si4 O14",
"formula_reduced": "SrTiSi2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.618840576666666,
"spacegroup": 63
}
]
}