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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=717",
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"results": [
{
"id": "jvasp-113171",
"created_at": "2022-09-04T14:38:44.168441Z",
"updated_at": "2022-09-04T14:38:44.168471Z",
"structure_string": "Li4 Mn2 P4 O14\n1.0\n7.447333 0.083326 3.035623\n5.832992 4.630974 3.035623\n-0.146819 -0.052118 8.707027\nLi Mn P O\n4 2 4 14\ndirect\n0.813483 0.567357 0.949880 Li\n0.432642 0.186516 0.550121 Li\n0.567357 0.813483 0.449879 Li\n0.186516 0.432643 0.050120 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.207227 0.999439 0.191917 P\n0.000561 0.792773 0.308083 P\n0.792773 0.000561 0.808083 P\n0.999439 0.207227 0.691917 P\n0.354759 0.854208 0.347825 O\n0.942639 0.057360 0.250000 O\n0.297038 0.055614 0.629920 O\n0.854208 0.354759 0.847825 O\n0.057360 0.942639 0.750000 O\n0.645241 0.145791 0.652175 O\n0.580311 0.211491 0.940417 O\n0.788509 0.419689 0.559584 O\n0.419689 0.788509 0.059583 O\n0.211491 0.580311 0.440416 O\n0.055614 0.297038 0.129920 O\n0.145791 0.645241 0.152175 O\n0.944386 0.702962 0.870080 O\n0.702962 0.944386 0.370080 O\n",
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"elements": [
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],
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"density_atomic": 0.08044465800563862,
"volume": 298.34174940886396,
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"formula_full": "Li4 Mn2 P4 O14",
"formula_reduced": "Li2MnP2O7",
"formula_anonymous": "AB2C2D7",
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"spacegroup": 15
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{
"id": "jvasp-112855",
"created_at": "2022-09-04T14:38:44.245526Z",
"updated_at": "2022-09-04T14:38:44.245564Z",
"structure_string": "Li4 Fe4 O4 F8\n1.0\n6.313587 0.048413 0.720526\n0.552512 6.289551 0.720526\n0.001336 0.001233 5.038403\nLi Fe O F\n4 4 4 8\ndirect\n0.770894 0.597799 0.690593 Li\n0.597800 0.770893 0.190593 Li\n0.402201 0.229106 0.809408 Li\n0.229107 0.402200 0.309408 Li\n0.928910 0.071090 0.750000 Fe\n0.242023 0.757977 0.750000 Fe\n0.757978 0.242022 0.250001 Fe\n0.071091 0.928909 0.250001 Fe\n0.020542 0.190304 0.390356 O\n0.190304 0.020541 0.890356 O\n0.809696 0.979458 0.109645 O\n0.979459 0.809695 0.609645 O\n0.522814 0.715790 0.866385 F\n0.873376 0.350262 0.895592 F\n0.715791 0.522812 0.366385 F\n0.350263 0.873375 0.395592 F\n0.649738 0.126624 0.604408 F\n0.284210 0.477187 0.633616 F\n0.126625 0.649737 0.104409 F\n0.477187 0.284209 0.133616 F\n",
"nsites": 20,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.879840410064136,
"density_atomic": 0.10003640881637246,
"volume": 199.92720886964406,
"volume_molar": 6.019948967834585,
"formula_full": "Li4 Fe4 O4 F8",
"formula_reduced": "LiFeOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.8805719129999999,
"spacegroup": 15
},
{
"id": "jvasp-116607",
"created_at": "2022-09-04T14:38:44.267180Z",
"updated_at": "2022-09-04T14:38:44.267210Z",
"structure_string": "Na2 Fe4 Pb2 F18\n1.0\n7.135892 -0.090875 0.167890\n-3.518692 6.208705 0.167890\n-0.049986 -0.084543 7.640801\nNa Fe Pb F\n2 4 2 18\ndirect\n0.500000 -0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n-0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.472894 0.527105 0.750000 Pb\n0.527105 0.472894 0.250000 Pb\n0.305960 0.223539 0.983879 F\n0.694039 0.776460 0.016120 F\n0.274820 0.582290 0.075129 F\n0.725179 0.417709 0.924870 F\n0.417709 0.725179 0.424871 F\n0.582290 0.274820 0.575129 F\n0.907463 0.524769 0.222400 F\n0.092537 0.475230 0.777600 F\n0.970362 0.029636 0.750000 F\n0.524769 0.907462 0.722400 F\n0.029637 0.970362 0.250000 F\n0.223538 0.305960 0.483880 F\n0.897175 0.206284 0.050275 F\n0.102824 0.793715 0.949725 F\n0.793715 0.102823 0.449725 F\n0.206284 0.897175 0.550275 F\n0.475230 0.092537 0.277600 F\n0.776461 0.694038 0.516120 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
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],
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"density": 5.064965118431416,
"density_atomic": 0.07731563274913526,
"volume": 336.28386751178465,
"volume_molar": 7.789033790281377,
"formula_full": "Na2 Fe4 Pb2 F18",
"formula_reduced": "NaFe2PbF9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 0.2965548740384614,
"spacegroup": 15
},
{
"id": "jvasp-112795",
"created_at": "2022-09-04T14:38:44.312511Z",
"updated_at": "2022-09-04T14:38:44.312541Z",
"structure_string": "Li8 Ni4 O12\n1.0\n4.867525 -0.001539 0.422151\n-2.489897 4.182489 0.422151\n0.000380 0.000669 9.493206\nLi Ni O\n8 4 12\ndirect\n0.837204 0.673506 0.500207 Li\n0.673505 0.837206 0.000207 Li\n0.499999 0.000000 0.500000 Li\n0.084051 0.915949 0.750000 Li\n0.915947 0.084052 0.250000 Li\n0.326494 0.162795 0.999794 Li\n-0.000000 0.500000 -0.000000 Li\n0.162794 0.326494 0.499793 Li\n0.582837 0.417162 0.250000 Ni\n0.249684 0.750315 0.250000 Ni\n0.750314 0.249685 0.750000 Ni\n0.417162 0.582838 0.750000 Ni\n0.402186 0.878561 0.862159 O\n0.233692 0.046110 0.363538 O\n0.597813 0.121440 0.137841 O\n0.477386 0.309440 0.637959 O\n0.878559 0.402187 0.362159 O\n0.690559 0.522614 0.862041 O\n0.046110 0.233693 0.863538 O\n0.953889 0.766308 0.136462 O\n0.309440 0.477387 0.137959 O\n0.121439 0.597814 0.637841 O\n0.522613 0.690560 0.362041 O\n0.766306 0.953891 0.636463 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.144702327071139,
"density_atomic": 0.12420619852379422,
"volume": 193.22707147664866,
"volume_molar": 4.848502596145663,
"formula_full": "Li8 Ni4 O12",
"formula_reduced": "Li2NiO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-119514",
"created_at": "2022-09-04T14:38:44.459557Z",
"updated_at": "2022-09-04T14:38:44.459587Z",
"structure_string": "Mg6 Cr4 N8\n1.0\n6.173331 0.007079 -0.066961\n-4.279837 5.868697 0.000000\n-0.017896 -0.013051 5.435834\nMg Cr N\n6 4 8\ndirect\n0.225375 0.990553 0.974523 Mg\n0.774624 0.765177 0.525476 Mg\n0.774624 0.009448 0.025477 Mg\n0.225375 0.234824 0.474523 Mg\n-0.000000 0.595509 0.749999 Mg\n-0.000000 0.404492 0.250000 Mg\n0.610302 0.433585 0.102515 Cr\n0.389698 0.823283 0.397484 Cr\n0.610301 0.176718 0.602515 Cr\n0.389698 0.566416 0.897484 Cr\n0.291324 0.735535 0.063883 N\n0.220037 0.945071 0.569953 N\n0.779962 0.725035 0.930045 N\n0.779963 0.054930 0.430046 N\n0.220037 0.274966 0.069954 N\n0.708675 0.264466 0.936116 N\n0.291324 0.555790 0.563883 N\n0.708676 0.444211 0.436116 N\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Cr-Mg-N",
"density": 3.925050511402054,
"density_atomic": 0.09132838490794604,
"volume": 197.0909703280421,
"volume_molar": 6.59394203244696,
"formula_full": "Mg6 Cr4 N8",
"formula_reduced": "Mg3(CrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.560246105555556,
"spacegroup": 15
},
{
"id": "jvasp-112879",
"created_at": "2022-09-04T14:38:44.680102Z",
"updated_at": "2022-09-04T14:38:44.680126Z",
"structure_string": "K4 Mo2 S4 O4\n1.0\n5.873616 -0.043832 2.882837\n1.696283 5.623514 2.882837\n-0.116095 -0.085572 9.549915\nK Mo S O\n4 2 4 4\ndirect\n0.761516 0.654979 0.664276 K\n0.345020 0.238484 0.835724 K\n0.238483 0.345021 0.335725 K\n0.654979 0.761516 0.164276 K\n0.074252 0.925746 0.750000 Mo\n0.925747 0.074254 0.250000 Mo\n0.245138 0.720708 0.946810 S\n0.279291 0.754860 0.553191 S\n0.754861 0.279292 0.053190 S\n0.720708 0.245140 0.446810 S\n0.087934 0.219294 0.671014 O\n0.780706 0.912065 0.828987 O\n0.912065 0.780706 0.328987 O\n0.219294 0.087935 0.171014 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.8130502361215886,
"density_atomic": 0.043876904497989096,
"volume": 319.0744689074779,
"volume_molar": 13.725081176307683,
"formula_full": "K4 Mo2 S4 O4",
"formula_reduced": "K2Mo(SO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.8323827,
"spacegroup": 15
},
{
"id": "jvasp-116741",
"created_at": "2022-09-04T14:38:44.750276Z",
"updated_at": "2022-09-04T14:38:44.750295Z",
"structure_string": "Mg6 Fe4 N8\n1.0\n6.097328 0.002665 -0.031160\n-4.675093 5.926473 -0.000001\n0.004390 0.003463 5.090568\nMg Fe N\n6 4 8\ndirect\n0.229927 0.985878 0.048503 Mg\n0.770072 0.755950 0.451497 Mg\n0.770072 0.014121 0.951497 Mg\n0.229927 0.244048 0.548503 Mg\n-0.000000 0.604981 0.750000 Mg\n-0.000000 0.395018 0.250000 Mg\n0.594790 0.423554 0.106204 Fe\n0.405210 0.828764 0.393797 Fe\n0.594790 0.171234 0.606204 Fe\n0.405209 0.576444 0.893797 Fe\n0.312267 0.740744 0.052632 N\n0.212377 0.937982 0.516765 N\n0.787622 0.725604 0.983236 N\n0.787622 0.062016 0.483236 N\n0.212378 0.274394 0.016765 N\n0.687732 0.259254 0.947369 N\n0.312267 0.571522 0.552632 N\n0.687732 0.428476 0.447369 N\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Fe-Mg-N",
"density": 4.342873545719308,
"density_atomic": 0.09781772909405997,
"volume": 184.01572155382473,
"volume_molar": 6.15649209583388,
"formula_full": "Mg6 Fe4 N8",
"formula_reduced": "Mg3(FeN2)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 15
},
{
"id": "jvasp-112836",
"created_at": "2022-09-04T14:38:44.756187Z",
"updated_at": "2022-09-04T14:38:44.756215Z",
"structure_string": "Li4 Co2 P4 O14\n1.0\n5.118528 0.067311 0.421136\n2.951892 4.182128 0.421136\n-0.193042 -0.101645 11.729444\nLi Co P O\n4 2 4 14\ndirect\n0.608670 0.089306 0.693390 Li\n0.910694 0.391330 0.806611 Li\n0.089307 0.608669 0.193390 Li\n0.391331 0.910693 0.306611 Li\n0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.000000 Co\n0.661275 0.229773 0.369327 P\n0.770227 0.338725 0.130673 P\n0.229774 0.661274 0.869327 P\n0.338726 0.770226 0.630673 P\n0.938711 0.821126 0.948641 O\n0.485058 0.342421 0.099095 O\n0.096103 0.903897 0.750000 O\n0.178874 0.061289 0.551359 O\n0.672458 0.669573 0.665722 O\n0.327543 0.330426 0.334278 O\n0.669574 0.672457 0.165722 O\n0.903898 0.096102 0.250000 O\n0.514943 0.657578 0.900905 O\n0.061290 0.178873 0.051359 O\n0.330427 0.327542 0.834278 O\n0.342422 0.485057 0.599095 O\n0.821127 0.938710 0.448641 O\n0.657579 0.514942 0.400906 O\n",
"nsites": 24,
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"elements": [
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"P",
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],
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"density_atomic": 0.09631547325804571,
"volume": 249.1811459587586,
"volume_molar": 6.252516398757289,
"formula_full": "Li4 Co2 P4 O14",
"formula_reduced": "Li2CoP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.6206397,
"spacegroup": 15
},
{
"id": "jvasp-112877",
"created_at": "2022-09-04T14:38:44.763900Z",
"updated_at": "2022-09-04T14:38:44.763929Z",
"structure_string": "Mo2 P2 O10\n1.0\n4.845592 0.023861 1.851373\n-0.538906 4.815591 1.851373\n0.102825 0.115545 7.407643\nMo P O\n2 2 10\ndirect\n0.774744 0.274702 -0.023177 Mo\n0.274700 0.774744 0.476823 Mo\n0.411600 0.137909 0.726804 P\n0.137909 0.411601 0.226804 P\n0.587650 0.961798 0.226813 O\n0.961796 0.587650 0.726813 O\n0.119805 0.090841 0.905178 O\n0.090841 0.119806 0.405178 O\n0.436238 0.913320 0.634810 O\n0.913319 0.436239 0.134810 O\n0.636210 0.113215 0.818781 O\n0.113215 0.636211 0.318782 O\n0.458636 0.429720 0.548460 O\n0.429720 0.458637 0.048460 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.021245927007674,
"density_atomic": 0.08192689517024701,
"volume": 170.88405426456723,
"volume_molar": 7.350627345862158,
"formula_full": "Mo2 P2 O10",
"formula_reduced": "MoPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.115618414285714,
"spacegroup": 15
},
{
"id": "jvasp-112860",
"created_at": "2022-09-04T14:38:44.967265Z",
"updated_at": "2022-09-04T14:38:44.967292Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n6.627786 0.093817 1.602487\n0.173352 6.626183 1.602487\n-0.187077 -0.184846 5.381717\nZn Si Sn O\n2 4 2 12\ndirect\n0.602398 0.397602 0.250001 Zn\n0.397602 0.602397 0.750001 Zn\n0.871317 0.690901 0.776314 Si\n0.309099 0.128683 0.723689 Si\n0.690901 0.871317 0.276313 Si\n0.128683 0.309099 0.223688 Si\n0.786358 0.213641 0.750001 Sn\n0.213641 0.786358 0.250001 Sn\n0.898943 0.390137 0.307905 O\n0.609863 0.101057 0.192097 O\n0.522078 0.699240 0.358545 O\n0.300759 0.477922 0.141456 O\n0.477922 0.300759 0.641457 O\n0.149893 0.187374 0.981352 O\n0.850107 0.812626 0.018651 O\n0.187374 0.149893 0.481351 O\n0.101057 0.609862 0.692097 O\n0.812626 0.850106 0.518651 O\n0.699241 0.522077 0.858546 O\n0.390137 0.898942 0.807905 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.650931134056854,
"density_atomic": 0.08328782241576219,
"volume": 240.13114306389897,
"volume_molar": 7.230517721952486,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1118670300000004,
"spacegroup": 15
},
{
"id": "jvasp-116885",
"created_at": "2022-09-04T14:38:45.262752Z",
"updated_at": "2022-09-04T14:38:45.262775Z",
"structure_string": "Cd4 Co4 O12\n1.0\n5.031875 -0.062648 -0.326394\n0.378974 6.690179 -0.699955\n0.097260 0.095656 6.737125\nCd Co O\n4 4 12\ndirect\n0.789225 0.191212 0.601332 Cd\n0.289261 0.398586 0.808767 Cd\n0.710748 0.601414 0.191223 Cd\n0.210784 0.808799 0.398670 Cd\n0.249989 0.245727 0.245737 Co\n0.249999 0.922420 0.922419 Co\n0.750008 0.754273 0.754263 Co\n0.749995 0.077583 0.077578 Co\n0.454512 0.686883 0.889603 O\n0.954497 0.110338 0.313088 O\n0.129216 0.500648 0.249991 O\n0.629272 0.750103 0.499375 O\n0.370726 0.249873 0.500627 O\n0.070156 0.173579 0.980146 O\n0.429850 0.980082 0.173539 O\n0.929842 0.826425 0.019853 O\n0.545478 0.313123 0.110401 O\n0.570143 0.019920 0.826457 O\n0.870782 0.499353 0.750035 O\n0.045500 0.889664 0.686914 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cd-Co-O",
"density": 6.4039500141475285,
"density_atomic": 0.08791161512239305,
"volume": 227.50122349766218,
"volume_molar": 6.850221954875706,
"formula_full": "Cd4 Co4 O12",
"formula_reduced": "CdCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6205882300000003,
"spacegroup": 15
},
{
"id": "jvasp-116786",
"created_at": "2022-09-04T14:38:45.263964Z",
"updated_at": "2022-09-04T14:38:45.264000Z",
"structure_string": "K4 V2 H4 O2 F10\n1.0\n6.097842 -0.039450 0.548440\n1.103193 5.997321 0.548379\n0.007870 0.006568 8.017809\nK V H O F\n4 2 4 2 10\ndirect\n0.302977 0.292953 0.030132 K\n0.707046 0.697022 0.469868 K\n0.697022 0.707048 0.969866 K\n0.292952 0.302979 0.530135 K\n0.794462 0.205538 0.250000 V\n0.205537 0.794462 0.750000 V\n0.100933 0.845986 0.154474 H\n0.154012 0.899065 0.345526 H\n0.899067 0.154014 0.845527 H\n0.845987 0.100935 0.654473 H\n0.943523 0.056479 0.749999 O\n0.056477 0.943522 0.250002 O\n0.455088 0.544911 0.750001 F\n0.544912 0.455088 0.250000 F\n0.396511 0.993968 0.800206 F\n0.006031 0.603490 0.699795 F\n0.603488 0.006032 0.199797 F\n0.993969 0.396510 0.300204 F\n0.277395 0.861650 0.509052 F\n0.138349 0.722606 0.990948 F\n0.722605 0.138351 0.490945 F\n0.861650 0.277394 0.009054 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"V",
"H",
"O",
"F"
],
"chemical_system": "F-H-K-O-V",
"density": 2.739774255767177,
"density_atomic": 0.07495181468166996,
"volume": 293.521912623955,
"volume_molar": 8.034683063481264,
"formula_full": "K4 V2 H4 O2 F10",
"formula_reduced": "K2VH2OF5",
"formula_anonymous": "ABC2D2E5",
"energy_above_hull": 0.7956822829545456,
"spacegroup": 15
}
]
}