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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1197",
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"results": [
{
"id": "jvasp-22969",
"created_at": "2022-09-04T14:37:31.831643Z",
"updated_at": "2022-09-04T14:37:31.831659Z",
"structure_string": "Nd6 Ru2 O14\n1.0\n6.627213 -0.022074 -0.000000\n-2.481628 6.145076 0.000000\n0.000000 0.000000 7.546433\nNd Ru O\n6 2 14\ndirect\n0.000000 0.000000 0.000000 Nd\n0.533769 0.090953 0.250000 Nd\n0.466231 0.909048 0.750000 Nd\n0.090952 0.533769 0.250000 Nd\n0.909047 0.466232 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.500001 0.000000 Ru\n0.500000 0.500001 0.500000 Ru\n0.438666 0.187386 0.539888 O\n0.561334 0.812615 0.039888 O\n0.812614 0.561335 0.039888 O\n0.571311 0.571312 0.750000 O\n0.438666 0.187386 0.960112 O\n0.812614 0.561335 0.460112 O\n0.187386 0.438667 0.960112 O\n0.161078 0.899478 0.250000 O\n0.838922 0.100524 0.750000 O\n0.899477 0.161079 0.250000 O\n0.100523 0.838923 0.750000 O\n0.428689 0.428690 0.250000 O\n0.561334 0.812615 0.460112 O\n0.187386 0.438667 0.539888 O\n",
"nsites": 22,
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"elements": [
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"Ru",
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],
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"density": 6.988054455371604,
"density_atomic": 0.07168154247494243,
"volume": 306.9130384253449,
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"formula_full": "Nd6 Ru2 O14",
"formula_reduced": "Nd3RuO7",
"formula_anonymous": "AB3C7",
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"spacegroup": 63
},
{
"id": "jvasp-17604",
"created_at": "2022-09-04T14:37:31.881637Z",
"updated_at": "2022-09-04T14:37:31.881653Z",
"structure_string": "Dy2 Ge2\n1.0\n3.972647 0.000000 -0.000000\n0.000000 3.979757 -1.513854\n-0.000000 -0.086122 5.761696\nDy Ge\n2 2\ndirect\n0.250000 0.862477 0.724954 Dy\n0.750000 0.137524 0.275048 Dy\n0.250000 0.587621 0.175241 Ge\n0.750000 0.412380 0.824761 Ge\n",
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"elements": [
"Dy",
"Ge"
],
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"density": 8.621743360332395,
"density_atomic": 0.04416207547032406,
"volume": 90.57545320051616,
"volume_molar": 13.636453214357521,
"formula_full": "Dy2 Ge2",
"formula_reduced": "DyGe",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-35128",
"created_at": "2022-09-04T14:37:32.730891Z",
"updated_at": "2022-09-04T14:37:32.730909Z",
"structure_string": "Ca4 Si2 O8\n1.0\n5.760667 0.000000 0.000000\n-2.880333 4.587109 0.000000\n0.000000 0.000000 7.035019\nCa Si O\n4 2 8\ndirect\n0.679326 0.358650 0.335730 Ca\n0.320676 0.641350 0.835730 Ca\n-0.000008 -0.000017 0.085695 Ca\n0.000008 0.000017 0.585695 Ca\n0.649857 0.299712 0.835713 Si\n0.350145 0.700288 0.335713 Si\n0.752914 0.505826 0.025005 O\n0.247087 0.494174 0.525005 O\n0.752957 0.505912 0.646461 O\n0.309245 0.077364 0.835698 O\n0.768120 0.077364 0.835698 O\n0.247045 0.494088 0.146461 O\n0.690756 0.922636 0.335698 O\n0.231881 0.922636 0.335698 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 3.0770441997711897,
"density_atomic": 0.0753097021031645,
"volume": 185.899022423722,
"volume_molar": 7.99650057272893,
"formula_full": "Ca4 Si2 O8",
"formula_reduced": "Ca2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4734219199999998,
"spacegroup": 63
},
{
"id": "jvasp-58197",
"created_at": "2022-09-04T14:37:32.158331Z",
"updated_at": "2022-09-04T14:37:32.158353Z",
"structure_string": "Ca2 Mn8 O12\n1.0\n3.110238 0.000000 0.000000\n-1.555119 5.065912 -0.000000\n0.000000 -0.000000 15.280355\nCa Mn O\n2 8 12\ndirect\n0.663555 0.327111 0.750000 Ca\n0.336445 0.672889 0.250000 Ca\n0.862613 0.725229 0.042722 Mn\n0.409449 0.818897 0.634169 Mn\n0.137385 0.274770 0.957277 Mn\n0.590551 0.181103 0.365832 Mn\n0.862613 0.725229 0.457277 Mn\n0.137385 0.274770 0.542722 Mn\n0.590551 0.181103 0.134168 Mn\n0.409449 0.818897 0.865831 Mn\n0.780306 0.560613 0.577598 O\n0.219693 0.439388 0.422401 O\n0.219693 0.439388 0.077598 O\n0.780306 0.560613 0.922402 O\n0.050381 0.100760 0.653915 O\n0.499999 0.000000 0.500000 O\n0.949620 0.899240 0.153915 O\n0.050381 0.100760 0.846085 O\n0.499999 0.000000 0.000000 O\n0.330680 0.661361 0.750000 O\n0.949620 0.899240 0.346085 O\n0.669318 0.338637 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.908318892159862,
"density_atomic": 0.09137722651620245,
"volume": 240.76020731597816,
"volume_molar": 6.590417535743648,
"formula_full": "Ca2 Mn8 O12",
"formula_reduced": "CaMn4O6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 3.2329873077742945,
"spacegroup": 63
},
{
"id": "jvasp-57158",
"created_at": "2022-09-04T14:37:32.164441Z",
"updated_at": "2022-09-04T14:37:32.164473Z",
"structure_string": "Zr2 Tl2 Cd2 F14\n1.0\n6.561040 0.028554 -0.000000\n-2.966624 5.852111 -0.000000\n0.000000 -0.000000 8.578411\nZr Tl Cd F\n2 2 2 14\ndirect\n0.192455 0.807545 0.250000 Zr\n0.807545 0.192454 0.750000 Zr\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.807647 0.192352 0.250000 Cd\n0.192353 0.807647 0.750000 Cd\n0.172241 0.474241 0.250000 F\n0.202807 0.797193 0.486461 F\n0.525759 0.827759 0.250000 F\n0.564193 0.845014 0.750000 F\n0.474241 0.172240 0.750000 F\n0.827759 0.525758 0.750000 F\n0.154986 0.435807 0.750000 F\n0.797193 0.202807 0.513539 F\n0.009223 0.990778 0.250000 F\n0.435807 0.154986 0.250000 F\n0.845014 0.564192 0.250000 F\n0.797193 0.202807 0.986461 F\n0.202807 0.797193 0.013539 F\n0.990777 0.009222 0.750000 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zr",
"Tl",
"Cd",
"F"
],
"chemical_system": "Cd-F-Tl-Zr",
"density": 5.442931914338443,
"density_atomic": 0.06058719153485542,
"volume": 330.1027740903641,
"volume_molar": 9.939626854193268,
"formula_full": "Zr2 Tl2 Cd2 F14",
"formula_reduced": "ZrTlCdF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-11664",
"created_at": "2022-09-04T14:37:32.201238Z",
"updated_at": "2022-09-04T14:37:32.201269Z",
"structure_string": "Cr2 Cd2 O8\n1.0\n5.221120 0.035515 -0.000000\n-2.080981 4.788619 0.000000\n0.000000 0.000000 6.984171\nCr Cd O\n2 2 8\ndirect\n0.635466 0.364535 0.250000 Cr\n0.364535 0.635466 0.750000 Cr\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.717540 0.766808 0.750000 O\n0.282461 0.233194 0.250000 O\n0.766807 0.717540 0.250000 O\n0.233193 0.282461 0.750000 O\n0.258172 0.741829 0.942935 O\n0.741829 0.258172 0.442935 O\n0.741829 0.258172 0.057065 O\n0.258172 0.741829 0.557065 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"O"
],
"chemical_system": "Cd-Cr-O",
"density": 4.331251683343286,
"density_atomic": 0.06851892446983993,
"volume": 175.13409751903004,
"volume_molar": 8.78901822612638,
"formula_full": "Cr2 Cd2 O8",
"formula_reduced": "CrCdO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0321168583333327,
"spacegroup": 63
},
{
"id": "jvasp-58207",
"created_at": "2022-09-04T14:37:32.366705Z",
"updated_at": "2022-09-04T14:37:32.366725Z",
"structure_string": "Mn8 O12\n1.0\n2.971585 -0.000000 0.000000\n-1.485792 4.978481 -0.000000\n-0.000000 -0.000000 14.767433\nMn O\n8 12\ndirect\n0.864308 0.728621 0.049375 Mn\n0.135689 0.271378 0.950624 Mn\n0.864308 0.728621 0.450624 Mn\n0.135689 0.271378 0.549375 Mn\n0.404838 0.809673 0.640772 Mn\n0.595161 0.190326 0.359229 Mn\n0.595161 0.190326 0.140771 Mn\n0.404838 0.809673 0.859228 Mn\n0.782689 0.565382 0.577728 O\n0.217309 0.434618 0.422272 O\n0.217309 0.434618 0.077728 O\n0.782689 0.565382 0.922272 O\n0.025901 0.051803 0.653558 O\n0.499998 0.000000 0.000000 O\n0.974098 0.948197 0.153558 O\n0.025901 0.051803 0.846442 O\n0.325677 0.651353 0.750000 O\n0.499998 0.000000 0.500000 O\n0.974098 0.948197 0.346442 O\n0.674320 0.348645 0.250000 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Mn-O",
"density": 4.799881091463774,
"density_atomic": 0.09154612690276051,
"volume": 218.46910051414653,
"volume_molar": 6.578258375033894,
"formula_full": "Mn8 O12",
"formula_reduced": "Mn2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.030690996551724,
"spacegroup": 63
},
{
"id": "jvasp-40940",
"created_at": "2022-09-04T14:37:33.765055Z",
"updated_at": "2022-09-04T14:37:33.765080Z",
"structure_string": "Ho4 Mg2\n1.0\n3.585672 -0.000000 0.000000\n1.792837 8.557454 0.000000\n0.000000 0.000000 5.408876\nHo Mg\n4 2\ndirect\n0.985426 0.029147 0.000000 Ho\n0.662391 0.675221 0.000000 Ho\n0.792352 0.415297 0.500000 Ho\n0.115388 0.769224 0.500000 Ho\n0.325051 0.349899 0.000000 Mg\n0.452727 0.094545 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 7.087015127505813,
"density_atomic": 0.0361517305977268,
"volume": 165.96715844019033,
"volume_molar": 16.65795982773414,
"formula_full": "Ho4 Mg2",
"formula_reduced": "Ho2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7734106733333337,
"spacegroup": 63
},
{
"id": "jvasp-57794",
"created_at": "2022-09-04T14:37:32.686841Z",
"updated_at": "2022-09-04T14:37:32.686867Z",
"structure_string": "Sm6 Os2 O14\n1.0\n6.551640 0.006570 0.000000\n-2.357060 6.112961 -0.000000\n-0.000000 0.000000 7.515356\nSm Os O\n6 2 14\ndirect\n0.525452 0.077028 0.250000 Sm\n0.474548 0.922971 0.750000 Sm\n0.077028 0.525452 0.250000 Sm\n0.922972 0.474548 0.750000 Sm\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.437243 0.183600 0.539219 O\n0.562757 0.816400 0.039219 O\n0.816400 0.562757 0.039219 O\n0.584333 0.584333 0.750000 O\n0.437243 0.183600 0.960782 O\n0.816400 0.562757 0.460782 O\n0.183600 0.437243 0.960782 O\n0.157860 0.893781 0.250000 O\n0.842140 0.106219 0.750000 O\n0.893781 0.157860 0.250000 O\n0.106219 0.842140 0.750000 O\n0.415667 0.415667 0.250000 O\n0.562757 0.816400 0.460782 O\n0.183600 0.437243 0.539219 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "O-Os-Sm",
"density": 8.308666015793715,
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"volume": 301.1057870465793,
"volume_molar": 8.242279242023114,
"formula_full": "Sm6 Os2 O14",
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"formula_anonymous": "AB3C7",
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"spacegroup": 63
},
{
"id": "jvasp-37879",
"created_at": "2022-09-04T14:37:32.743736Z",
"updated_at": "2022-09-04T14:37:32.743764Z",
"structure_string": "Ca6 Sn2 H4\n1.0\n0.000000 0.000000 5.234470\n4.407836 -5.647303 0.000000\n4.407836 5.647303 -0.000000\nCa Sn H\n6 2 4\ndirect\n0.250000 0.890107 0.109894 Ca\n0.250000 0.408944 0.186484 Ca\n0.750000 0.186484 0.408944 Ca\n0.250000 0.813517 0.591056 Ca\n0.750000 0.591056 0.813517 Ca\n0.750000 0.109894 0.890107 Ca\n0.750000 0.692331 0.307670 Sn\n0.250000 0.307670 0.692331 Sn\n0.000000 0.151932 0.151932 H\n0.500000 0.151932 0.151932 H\n0.000000 0.848069 0.848069 H\n0.500000 0.848069 0.848069 H\n",
"nsites": 12,
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"H"
],
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"density_atomic": 0.04604813205728095,
"volume": 260.59688990365044,
"volume_molar": 13.077926271816713,
"formula_full": "Ca6 Sn2 H4",
"formula_reduced": "Ca3SnH2",
"formula_anonymous": "AB2C3",
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"spacegroup": 63
},
{
"id": "jvasp-35724",
"created_at": "2022-09-04T14:37:32.758951Z",
"updated_at": "2022-09-04T14:37:32.758980Z",
"structure_string": "Ho2 Ga2\n1.0\n-0.000000 0.000000 4.020783\n4.297589 0.000000 -0.000000\n-2.148795 5.376186 -0.000000\nHo Ga\n2 2\ndirect\n0.250000 0.139245 0.278489 Ho\n0.749999 0.860755 0.721511 Ho\n0.250000 0.421783 0.843568 Ga\n0.749999 0.578216 0.156433 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.388725749115421,
"density_atomic": 0.043057636922134726,
"volume": 92.89873494993665,
"volume_molar": 13.986231457361253,
"formula_full": "Ho2 Ga2",
"formula_reduced": "HoGa",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-21878",
"created_at": "2022-09-04T14:37:32.771461Z",
"updated_at": "2022-09-04T14:37:32.771482Z",
"structure_string": "K2 U2 Cu2 S6\n1.0\n3.920916 0.000000 0.000000\n-1.960458 6.900107 0.000000\n0.000000 -0.000000 10.183573\nK U Cu S\n2 2 2 6\ndirect\n0.257567 0.515134 0.250000 K\n0.742434 0.484867 0.750000 K\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.464047 0.928095 0.750000 Cu\n0.535954 0.071906 0.250000 Cu\n0.372915 0.745830 0.559117 S\n0.627086 0.254170 0.440883 S\n0.627086 0.254170 0.059117 S\n0.062697 0.125393 0.750000 S\n0.937304 0.874608 0.250000 S\n0.372915 0.745830 0.940882 S\n",
"nsites": 12,
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"elements": [
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"U",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-U",
"density": 5.2660622874238365,
"density_atomic": 0.04355496824557673,
"volume": 275.51391915476074,
"volume_molar": 13.826530020743578,
"formula_full": "K2 U2 Cu2 S6",
"formula_reduced": "KUCuS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6960457416666663,
"spacegroup": 63
}
]
}