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{
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"results": [
{
"id": "jvasp-121084",
"created_at": "2022-09-04T14:38:52.477303Z",
"updated_at": "2022-09-04T14:38:52.477322Z",
"structure_string": "H2 C2\n1.0\n4.012894 1.332367 -0.154910\n-1.843049 -2.494721 0.283932\n1.221912 1.571277 -4.159020\nH C\n2 2\ndirect\n0.007140 -0.328068 0.735220 H\n0.505011 -0.022272 0.063962 H\n0.505667 0.053004 0.322885 C\n0.006537 0.596727 0.476302 C\n",
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"elements": [
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"density_atomic": 0.13301610316469736,
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{
"id": "jvasp-119720",
"created_at": "2022-09-04T14:38:52.288574Z",
"updated_at": "2022-09-04T14:38:52.288602Z",
"structure_string": "Li3 Mn5 O10\n1.0\n4.832032 0.005602 -1.007277\n-1.263590 4.623557 -1.804314\n0.051090 -0.035582 7.648920\nLi Mn O\n3 5 10\ndirect\n0.223755 0.927330 0.424302 Li\n0.500000 0.500000 0.500001 Li\n0.776243 0.072669 0.575697 Li\n0.107435 0.695817 0.692384 Mn\n-0.000001 0.500000 -0.000001 Mn\n0.692441 0.883796 0.895288 Mn\n0.307558 0.116206 0.104714 Mn\n0.892566 0.304185 0.307617 Mn\n0.658509 0.264845 0.055137 O\n0.779355 0.530195 0.762408 O\n0.545096 0.126302 0.334856 O\n0.454906 0.873701 0.665144 O\n0.036429 0.069258 0.855336 O\n0.341491 0.735154 0.944862 O\n0.119025 0.317433 0.539086 O\n0.880975 0.682566 0.460913 O\n0.220644 0.469804 0.237593 O\n0.963571 0.930744 0.144666 O\n",
"nsites": 18,
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"elements": [
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"O"
],
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"volume": 170.82191711654968,
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"formula_full": "Li3 Mn5 O10",
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"formula_anonymous": "A3B5C10",
"energy_above_hull": 3.199708400383142,
"spacegroup": 2
},
{
"id": "jvasp-119711",
"created_at": "2022-09-04T14:38:52.250916Z",
"updated_at": "2022-09-04T14:38:52.250949Z",
"structure_string": "V2 Cu5 H4 O12\n1.0\n5.422348 0.035910 -0.007428\n0.086030 6.251940 0.361483\n0.059269 -0.030262 6.875830\nV Cu H O\n2 5 4 12\ndirect\n0.443464 0.191469 0.686456 V\n0.556537 0.808532 0.313544 V\n0.996659 0.847482 0.660986 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.003342 0.152518 0.339014 Cu\n0.499386 0.682431 0.826006 Cu\n0.500615 0.317569 0.173993 Cu\n0.205111 0.886464 0.009969 H\n0.803264 0.471974 0.649514 H\n0.794890 0.113537 0.990031 H\n0.196736 0.528027 0.350486 H\n0.149367 0.118744 0.597706 O\n0.833379 0.222051 0.086206 O\n0.165976 0.418682 0.253065 O\n0.389197 0.020001 0.196032 O\n0.615705 0.612739 0.146262 O\n0.384296 0.387261 0.853737 O\n0.372294 0.705345 0.492607 O\n0.850634 0.881256 0.402293 O\n0.610804 0.979999 0.803967 O\n0.834025 0.581318 0.746934 O\n0.627707 0.294655 0.507392 O\n0.166622 0.777949 0.913793 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"H",
"O"
],
"chemical_system": "Cu-H-O-V",
"density": 4.38499756414865,
"density_atomic": 0.09865588271966032,
"volume": 233.13358885406353,
"volume_molar": 6.104188208535381,
"formula_full": "V2 Cu5 H4 O12",
"formula_reduced": "V2Cu5(HO3)4",
"formula_anonymous": "A2B4C5D12",
"energy_above_hull": 2.479374463043478,
"spacegroup": 2
},
{
"id": "jvasp-119295",
"created_at": "2022-09-04T14:38:52.353640Z",
"updated_at": "2022-09-04T14:38:52.353659Z",
"structure_string": "Li2 Cr3 P4 O14\n1.0\n6.083804 -0.194279 1.393519\n1.625937 5.941261 1.675023\n0.133101 -0.017847 7.327106\nLi Cr P O\n2 3 4 14\ndirect\n0.522434 0.007628 0.689334 Li\n0.477566 0.992371 0.310666 Li\n0.790560 0.511736 0.671624 Cr\n0.209440 0.488263 0.328376 Cr\n0.000000 0.000000 0.000000 Cr\n0.180189 0.752413 0.667248 P\n0.357804 0.318223 0.926143 P\n0.642196 0.681776 0.073857 P\n0.819811 0.247586 0.332753 P\n0.598136 0.299802 0.810385 O\n0.408710 0.797948 0.561856 O\n0.657292 0.716280 0.856843 O\n0.401863 0.700197 0.189615 O\n-0.009828 0.053094 0.260922 O\n0.009829 0.946906 0.739078 O\n0.925513 0.360339 0.443601 O\n0.254992 0.155900 0.871680 O\n0.074487 0.639660 0.556399 O\n0.787969 0.430673 0.131236 O\n0.591290 0.202051 0.438144 O\n0.342708 0.283719 0.143157 O\n0.745008 0.844099 0.128320 O\n0.212031 0.569326 0.868764 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.2303140552469047,
"density_atomic": 0.08641667456055019,
"volume": 266.15233827222113,
"volume_molar": 6.968725411645439,
"formula_full": "Li2 Cr3 P4 O14",
"formula_reduced": "Li2Cr3(P2O7)2",
"formula_anonymous": "A2B3C4D14",
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"spacegroup": 2
},
{
"id": "jvasp-114825",
"created_at": "2022-09-04T14:38:42.947048Z",
"updated_at": "2022-09-04T14:38:42.947081Z",
"structure_string": "Cr1 H1 F4\n1.0\n3.034881 -0.060769 0.511001\n-0.040786 4.000398 0.196565\n0.914870 0.664453 4.701742\nCr H F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 H\n0.381867 0.113217 0.220697 F\n0.828461 0.581338 0.287926 F\n0.618133 -0.113219 0.779303 F\n0.171538 0.418662 0.712072 F\n",
"nsites": 6,
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"elements": [
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"H",
"F"
],
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"density": 3.9103181193758614,
"density_atomic": 0.10952983544239081,
"volume": 54.77959476307082,
"volume_molar": 5.498173840649522,
"formula_full": "Cr1 H1 F4",
"formula_reduced": "CrHF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.885343088333334,
"spacegroup": 2
},
{
"id": "jvasp-112029",
"created_at": "2022-09-04T14:38:42.970262Z",
"updated_at": "2022-09-04T14:38:42.970287Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.462663 -0.075018 -0.045871\n-1.221714 4.313145 -0.197644\n0.104626 -0.036652 7.278432\nZn H C O\n1 4 4 4\ndirect\n0.359657 0.851040 0.271778 Zn\n0.574878 0.046915 0.678443 H\n0.061855 0.089304 0.754097 H\n0.657626 0.612714 0.789429 H\n0.144582 0.655072 0.865098 H\n0.029154 0.328950 0.515275 C\n0.868365 0.221471 0.701630 C\n0.851082 0.480528 0.841904 C\n0.690255 0.373068 0.028258 C\n0.958842 0.123867 0.379346 O\n0.234642 0.612132 0.502852 O\n0.760556 0.578163 0.164181 O\n0.484730 0.089891 0.040682 O\n",
"nsites": 13,
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"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.7895329386655416,
"density_atomic": 0.12033562063542798,
"volume": 108.03118753494569,
"volume_molar": 5.004453983118464,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957011876923077,
"spacegroup": 2
},
{
"id": "jvasp-112658",
"created_at": "2022-09-04T14:38:42.987178Z",
"updated_at": "2022-09-04T14:38:42.987200Z",
"structure_string": "Nb12 Zn1 Se16\n1.0\n6.609642 0.002242 -2.265298\n-1.641981 8.810459 -4.781910\n-0.011711 -0.027787 10.741679\nNb Zn Se\n12 1 16\ndirect\n0.679106 0.619735 0.106827 Nb\n0.183973 0.513508 0.620531 Nb\n0.685925 0.512012 0.619341 Nb\n0.616947 0.107203 0.486578 Nb\n0.320894 0.380265 0.893172 Nb\n0.821896 0.379924 0.892443 Nb\n0.120278 0.107168 0.487965 Nb\n0.816026 0.486491 0.379469 Nb\n0.383053 0.892797 0.513421 Nb\n0.879722 0.892832 0.512035 Nb\n0.178104 0.620076 0.107556 Nb\n0.314075 0.487987 0.380659 Nb\n0.000000 0.000000 0.000000 Zn\n0.045334 0.278356 0.339525 Se\n0.958378 0.332888 0.666415 Se\n0.458396 0.333807 0.666943 Se\n0.844936 0.661226 0.939390 Se\n0.344653 0.661311 0.940181 Se\n0.543312 0.278691 0.338079 Se\n0.736191 0.061051 0.721626 Se\n0.764846 0.940567 0.278676 Se\n0.655347 0.338688 0.059818 Se\n0.155063 0.338774 0.060610 Se\n0.954666 0.721643 0.660475 Se\n0.456687 0.721308 0.661921 Se\n0.041622 0.667111 0.333584 Se\n0.263808 0.938948 0.278373 Se\n0.235154 0.059433 0.721323 Se\n0.541604 0.666192 0.333056 Se\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Zn",
"Se"
],
"chemical_system": "Nb-Se-Zn",
"density": 6.499136918532137,
"density_atomic": 0.04644793098831084,
"volume": 624.3550440879312,
"volume_molar": 12.965358481770787,
"formula_full": "Nb12 Zn1 Se16",
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"formula_anonymous": "AB12C16",
"energy_above_hull": 3.8095430022988506,
"spacegroup": 2
},
{
"id": "jvasp-112725",
"created_at": "2022-09-04T14:38:43.188830Z",
"updated_at": "2022-09-04T14:38:43.188856Z",
"structure_string": "Mn2 Co8 N8\n1.0\n4.795339 0.000677 0.460398\n1.232179 4.367509 1.526424\n-0.008861 0.015370 7.668720\nMn Co N\n2 8 8\ndirect\n0.697609 0.845386 0.777314 Mn\n0.302392 0.154615 0.222686 Mn\n0.731788 0.060597 0.415491 Co\n0.216848 0.571845 0.424920 Co\n0.783152 0.428156 0.575079 Co\n0.268212 0.939404 0.584508 Co\n0.740480 0.244341 0.950183 Co\n0.242105 0.357442 0.783477 Co\n0.757895 0.642559 0.216522 Co\n0.259520 0.755660 0.049817 Co\n0.509221 0.789643 0.392727 N\n0.977581 0.708252 0.617529 N\n0.022419 0.291749 0.382471 N\n0.868891 0.823927 0.982375 N\n0.131110 0.176074 0.017625 N\n0.429161 0.631939 0.836835 N\n0.570839 0.368062 0.163165 N\n0.490779 0.210358 0.607273 N\n",
"nsites": 18,
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"elements": [
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"Co",
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],
"chemical_system": "Co-Mn-N",
"density": 7.173049142976416,
"density_atomic": 0.11213633340896527,
"volume": 160.51889207357394,
"volume_molar": 5.3703742372572805,
"formula_full": "Mn2 Co8 N8",
"formula_reduced": "Mn(CoN)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 5.000575982375479,
"spacegroup": 2
},
{
"id": "jvasp-117114",
"created_at": "2022-09-04T14:38:43.220977Z",
"updated_at": "2022-09-04T14:38:43.220992Z",
"structure_string": "Bi2 Pd4 O8\n1.0\n5.663957 -0.015924 -0.584492\n-2.525392 4.992985 -2.566015\n-0.009649 0.005003 6.454458\nBi Pd O\n2 4 8\ndirect\n0.861937 0.242846 0.641683 Bi\n0.138064 0.757155 0.358319 Bi\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.000001 Pd\n0.500001 0.500001 0.500001 Pd\n0.500000 0.000000 0.000000 Pd\n0.646950 0.394294 0.228567 O\n0.353051 0.605707 0.771435 O\n0.842137 0.858595 0.642349 O\n0.157865 0.141406 0.357653 O\n0.521670 0.874255 0.247483 O\n0.478331 0.125746 0.752519 O\n0.878792 0.647255 0.988563 O\n0.121209 0.352746 0.011439 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"O"
],
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"density": 8.849279668425106,
"density_atomic": 0.0767862151348756,
"volume": 182.3243921504516,
"volume_molar": 7.842736810796133,
"formula_full": "Bi2 Pd4 O8",
"formula_reduced": "Bi(PdO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1281328142857143,
"spacegroup": 2
},
{
"id": "jvasp-112168",
"created_at": "2022-09-04T14:38:43.429035Z",
"updated_at": "2022-09-04T14:38:43.429067Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.676745 -0.134560 0.013331\n-0.826828 4.368357 -1.484192\n0.474636 -0.098655 7.573698\nCd H C O\n1 4 4 4\ndirect\n0.250570 0.744028 0.726473 Cd\n0.996450 0.033788 0.252633 H\n0.541338 0.904068 0.165660 H\n-0.040358 0.583985 0.287270 H\n0.504551 0.454255 0.200268 H\n0.588301 0.160611 0.458452 C\n0.728243 0.104294 0.258910 C\n0.772761 0.383756 0.194004 C\n0.912758 0.327486 0.994475 C\n0.372830 0.934758 0.490514 O\n0.685645 0.430661 0.583111 O\n0.815493 0.057462 0.869783 O\n0.128205 0.553392 0.962456 O\n",
"nsites": 13,
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"elements": [
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"C",
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],
"chemical_system": "C-Cd-H-O",
"density": 3.153014546810126,
"density_atomic": 0.10803538717476595,
"volume": 120.33094285088504,
"volume_molar": 5.574229812550349,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.929785673076924,
"spacegroup": 2
},
{
"id": "jvasp-112060",
"created_at": "2022-09-04T14:38:43.641476Z",
"updated_at": "2022-09-04T14:38:43.641502Z",
"structure_string": "Sn1 H6 C4 O6\n1.0\n4.875641 -0.138950 0.468789\n0.761131 5.066481 0.859974\n-0.097953 0.150295 6.598123\nSn H C O\n1 6 4 6\ndirect\n0.012998 0.821169 0.692724 Sn\n0.344401 0.176693 0.069534 H\n0.230277 0.485503 0.142181 H\n0.681567 0.465628 0.315973 H\n0.795731 0.156842 0.243296 H\n-0.023436 0.157789 0.917400 H\n0.049449 0.484558 0.468045 H\n0.416354 0.355495 0.103959 C\n0.609639 0.286828 0.281522 C\n0.543346 0.493726 0.905567 C\n0.482633 0.148564 0.479893 C\n0.042345 0.968256 0.944370 O\n0.983654 0.674086 0.441073 O\n0.627430 0.062526 0.636217 O\n0.222656 0.128563 0.490563 O\n0.803320 0.513740 0.894870 O\n0.398516 0.579710 0.749251 O\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "C-H-O-Sn",
"density": 2.732383111234118,
"density_atomic": 0.10406801177437407,
"volume": 163.35471111773577,
"volume_molar": 5.786735671530246,
"formula_full": "Sn1 H6 C4 O6",
"formula_reduced": "SnH6(C2O3)2",
"formula_anonymous": "AB4C6D6",
"energy_above_hull": 3.963532511764705,
"spacegroup": 2
},
{
"id": "jvasp-116499",
"created_at": "2022-09-04T14:38:43.462106Z",
"updated_at": "2022-09-04T14:38:43.462139Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.957557 -0.059274 -0.197927\n-1.485632 4.772729 -0.138381\n-0.020976 -0.022601 5.842110\nLi Mn Co O\n4 2 2 8\ndirect\n0.758019 0.501337 0.121020 Li\n0.266799 0.506848 0.359308 Li\n0.733202 0.493153 0.640692 Li\n0.241981 0.498664 0.878980 Li\n0.754157 0.010818 0.366052 Mn\n0.245843 0.989183 0.633948 Mn\n0.746340 0.994876 0.877952 Co\n0.253661 0.005126 0.122048 Co\n0.989930 0.764282 0.891581 O\n0.515782 0.784634 0.117198 O\n0.023085 0.788637 0.364505 O\n0.488465 0.755522 0.638117 O\n0.511535 0.244480 0.361882 O\n0.976916 0.211364 0.635495 O\n0.484219 0.215367 0.882802 O\n0.010070 0.235719 0.108418 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.62556063313809,
"density_atomic": 0.11621655367475274,
"volume": 137.67401883881445,
"volume_molar": 5.181827002763952,
"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.471981517672414,
"spacegroup": 2
}
]
}