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=1151",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1149",
"results": [
{
"id": "jvasp-115071",
"created_at": "2022-09-04T14:38:44.631121Z",
"updated_at": "2022-09-04T14:38:44.631150Z",
"structure_string": "Mg1 P1 H1\n1.0\n2.704357 -0.000000 0.000000\n-0.000000 2.704357 0.000000\n-0.000000 -0.000000 6.829876\nMg P H\n1 1 1\ndirect\n0.000000 0.000000 0.611717 Mg\n0.000000 0.000000 0.043436 P\n0.000000 0.000000 0.259244 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"P",
"H"
],
"chemical_system": "H-Mg-P",
"density": 1.8711734107838436,
"density_atomic": 0.06005931740326739,
"volume": 49.95061765115552,
"volume_molar": 10.026988351473305,
"formula_full": "Mg1 P1 H1",
"formula_reduced": "MgPH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.48576485,
"spacegroup": 99
},
{
"id": "jvasp-116839",
"created_at": "2022-09-04T14:38:44.634160Z",
"updated_at": "2022-09-04T14:38:44.634193Z",
"structure_string": "Mn6 O11 F1\n1.0\n4.458077 0.000898 0.000000\n-0.061915 4.457647 0.000000\n-0.000000 -0.000000 8.644522\nMn O F\n6 11 1\ndirect\n0.991323 0.008678 0.822964 Mn\n0.001442 0.998557 0.500000 Mn\n0.991323 0.008678 0.177036 Mn\n0.520244 0.479756 -0.000000 Mn\n0.496232 0.503768 0.665179 Mn\n0.496232 0.503768 0.334821 Mn\n0.194215 0.805785 0.664406 O\n0.696501 0.695500 0.166461 O\n0.695096 0.697520 0.500000 O\n0.696501 0.695500 0.833539 O\n0.304501 0.303499 0.166461 O\n0.810316 0.189685 -0.000000 O\n0.304501 0.303499 0.833539 O\n0.194215 0.805785 0.335593 O\n0.802279 0.197722 0.335849 O\n0.802279 0.197722 0.664151 O\n0.302481 0.304904 0.500000 O\n0.200317 0.799683 -0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.071057827287847,
"density_atomic": 0.10477967980170916,
"volume": 171.78903422938677,
"volume_molar": 5.7474319175212525,
"formula_full": "Mn6 O11 F1",
"formula_reduced": "Mn6O11F",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.5120651239319924,
"spacegroup": 38
},
{
"id": "jvasp-112236",
"created_at": "2022-09-04T14:38:44.643292Z",
"updated_at": "2022-09-04T14:38:44.643319Z",
"structure_string": "H24 C20 O2\n1.0\n6.252340 -0.005683 -0.783800\n-2.658177 6.767634 -1.351628\n-0.045809 0.099452 9.226217\nH C O\n24 20 2\ndirect\n0.817657 0.565532 0.833031 H\n0.616666 0.137973 0.985595 H\n0.777856 0.391118 0.002059 H\n0.222144 0.608882 -0.002060 H\n0.536088 0.318624 0.090780 H\n0.463911 0.681375 0.909220 H\n0.391564 0.209636 0.608102 H\n0.608436 0.790363 0.391898 H\n0.452850 0.297794 0.805818 H\n0.547149 0.702206 0.194182 H\n0.394307 0.447063 0.685376 H\n0.605692 0.552937 0.314624 H\n0.383333 0.862026 0.014405 H\n0.156429 0.928487 0.175509 H\n0.843570 0.071513 0.824491 H\n0.725124 0.745546 0.621012 H\n0.274875 0.254454 0.378988 H\n0.726216 0.512253 0.538442 H\n0.182342 0.434467 0.166969 H\n0.256599 0.881134 0.411523 H\n0.743400 0.118866 0.588477 H\n0.851016 0.850853 0.077552 H\n0.148983 0.149146 0.922448 H\n0.273783 0.487746 0.461558 H\n0.684993 0.284588 0.062647 C\n0.921748 0.188953 0.577298 C\n0.315006 0.715412 0.937353 C\n0.347420 0.295617 0.700994 C\n0.652579 0.704383 0.299006 C\n0.025779 0.140559 0.824493 C\n0.974220 0.859441 0.175507 C\n0.095921 0.207548 0.704646 C\n0.904078 0.792451 0.295354 C\n0.078251 0.811047 0.422702 C\n0.070573 0.364106 0.237905 C\n0.049671 0.756036 0.553828 C\n0.164576 0.342568 0.389153 C\n0.835423 0.657431 0.610847 C\n0.929426 0.635894 0.762095 C\n0.838641 0.289065 0.201470 C\n0.161358 0.710935 0.798530 C\n0.749597 0.208894 0.326641 C\n0.250402 0.791106 0.673359 C\n0.950328 0.243964 0.446172 C\n0.457900 0.871962 0.670923 O\n0.542099 0.128038 0.329077 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.2586066464139616,
"density_atomic": 0.11762933250304722,
"volume": 391.05892230416555,
"volume_molar": 5.119591033846932,
"formula_full": "H24 C20 O2",
"formula_reduced": "H12C10O",
"formula_anonymous": "AB10C12",
"energy_above_hull": 5.17745754347826,
"spacegroup": 2
},
{
"id": "jvasp-115073",
"created_at": "2022-09-04T14:38:44.645345Z",
"updated_at": "2022-09-04T14:38:44.645380Z",
"structure_string": "Mg1 P1 H2\n1.0\n3.789952 0.000000 0.000000\n0.000000 3.789952 -0.000000\n-0.000000 -0.000000 3.807462\nMg P H\n1 1 2\ndirect\n0.500000 0.500000 0.737540 Mg\n0.000000 0.000000 0.826037 P\n0.000000 0.000000 0.199477 H\n0.500000 0.500000 0.246945 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"P",
"H"
],
"chemical_system": "H-Mg-P",
"density": 1.739642907194906,
"density_atomic": 0.07314034330039973,
"volume": 54.68937961599832,
"volume_molar": 8.233678553115416,
"formula_full": "Mg1 P1 H2",
"formula_reduced": "MgPH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8243761375,
"spacegroup": 99
},
{
"id": "jvasp-115008",
"created_at": "2022-09-04T14:38:44.658948Z",
"updated_at": "2022-09-04T14:38:44.658990Z",
"structure_string": "Si1 Ge1 N1\n1.0\n6.270506 2.150461 0.000000\n-1.558153 2.484208 0.000000\n0.000000 0.000000 3.002029\nSi Ge N\n1 1 1\ndirect\n0.761615 0.043919 0.000000 Si\n0.212959 -0.223681 0.000000 Ge\n0.025426 0.179761 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"Ge",
"N"
],
"chemical_system": "Ge-N-Si",
"density": 3.3528573292654364,
"density_atomic": 0.05279610813358021,
"volume": 56.82237017186297,
"volume_molar": 11.406410383059475,
"formula_full": "Si1 Ge1 N1",
"formula_reduced": "SiGeN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7743059333333324,
"spacegroup": 38
},
{
"id": "jvasp-120089",
"created_at": "2022-09-04T14:38:44.669495Z",
"updated_at": "2022-09-04T14:38:44.669529Z",
"structure_string": "Tl1 Ge1 Cl2\n1.0\n3.957901 -0.000000 0.000000\n0.000000 3.957901 0.000000\n-0.000000 -0.000000 7.091415\nTl Ge Cl\n1 1 2\ndirect\n0.500000 0.500000 0.596943 Tl\n0.000000 0.000000 0.011297 Ge\n0.000000 0.000000 0.356607 Cl\n0.500000 0.500000 0.045153 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-Tl",
"density": 5.2008861306669365,
"density_atomic": 0.03600785374089705,
"volume": 111.0868764570901,
"volume_molar": 16.724520165333168,
"formula_full": "Tl1 Ge1 Cl2",
"formula_reduced": "TlGeCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0447690458333332,
"spacegroup": 99
},
{
"id": "jvasp-115026",
"created_at": "2022-09-04T14:38:44.689046Z",
"updated_at": "2022-09-04T14:38:44.689072Z",
"structure_string": "Na1 Ge1 O1\n1.0\n4.330768 -0.000000 -0.000000\n-2.165384 3.750555 -0.000000\n0.000000 0.000000 3.097846\nNa Ge O\n1 1 1\ndirect\n0.333336 0.666668 0.000000 Na\n0.000000 0.000000 0.000000 Ge\n0.666669 0.333334 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Ge",
"O"
],
"chemical_system": "Ge-Na-O",
"density": 3.68388876570807,
"density_atomic": 0.05962123567352758,
"volume": 50.31764213052078,
"volume_molar": 10.100664120710084,
"formula_full": "Na1 Ge1 O1",
"formula_reduced": "NaGeO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.70765615,
"spacegroup": 187
},
{
"id": "jvasp-105541",
"created_at": "2022-09-04T14:38:44.691738Z",
"updated_at": "2022-09-04T14:38:44.691768Z",
"structure_string": "Ce4 Si2 Ge2\n1.0\n3.992195 0.000000 0.000000\n0.000000 5.888667 0.000000\n0.000000 -0.000000 8.240887\nCe Si Ge\n4 2 2\ndirect\n-0.000000 0.130650 0.682292 Ce\n-0.000000 0.869351 0.182292 Ce\n0.500001 0.364251 0.318702 Ce\n0.500001 0.635749 0.818702 Ce\n0.500001 0.883340 0.462850 Si\n0.500001 0.116661 0.962850 Si\n-0.000000 0.617968 0.536156 Ge\n-0.000000 0.382032 0.036156 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ge"
],
"chemical_system": "Ce-Ge-Si",
"density": 6.530597530279446,
"density_atomic": 0.041294031578684935,
"volume": 193.7325975245639,
"volume_molar": 14.583562151166891,
"formula_full": "Ce4 Si2 Ge2",
"formula_reduced": "Ce2SiGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8958363875,
"spacegroup": 26
},
{
"id": "jvasp-120158",
"created_at": "2022-09-04T14:38:44.696581Z",
"updated_at": "2022-09-04T14:38:44.696604Z",
"structure_string": "Mn1 Tl1 F4\n1.0\n3.860971 -0.000000 -0.000000\n0.000000 3.860971 -0.000000\n0.000000 0.000000 6.301161\nMn Tl F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.702278 F\n0.000000 0.000000 0.297722 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Tl",
"density": 5.927729384826323,
"density_atomic": 0.06387598272828733,
"volume": 93.93201863558826,
"volume_molar": 9.427863968240926,
"formula_full": "Mn1 Tl1 F4",
"formula_reduced": "MnTlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.164018495229885,
"spacegroup": 123
},
{
"id": "jvasp-115086",
"created_at": "2022-09-04T14:38:44.700422Z",
"updated_at": "2022-09-04T14:38:44.700458Z",
"structure_string": "Hf1 Mg1 O2\n1.0\n2.558581 -1.477498 -0.002404\n2.558581 1.477498 -0.002404\n-1.697522 0.000000 5.574412\nHf Mg O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Mg\n0.237232 0.237232 0.712090 O\n0.762767 0.762767 0.287910 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"O"
],
"chemical_system": "Hf-Mg-O",
"density": 9.253475288510474,
"density_atomic": 0.09493560856521646,
"volume": 42.133821655045075,
"volume_molar": 6.34339511908544,
"formula_full": "Hf1 Mg1 O2",
"formula_reduced": "HfMgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6835097624999995,
"spacegroup": 166
},
{
"id": "jvasp-116779",
"created_at": "2022-09-04T14:38:44.719130Z",
"updated_at": "2022-09-04T14:38:44.719154Z",
"structure_string": "V4 Fe2 O8\n1.0\n5.839958 0.004319 -0.023110\n-2.934641 4.080409 -2.893350\n0.023666 -0.011355 5.824693\nV Fe O\n4 2 8\ndirect\n-0.005265 0.489363 0.982889 V\n0.994869 0.489646 0.506439 V\n-0.005719 0.010355 0.505224 V\n0.515750 0.010073 0.505074 V\n0.624555 0.748937 0.874516 Fe\n0.375853 0.251564 0.125883 Fe\n0.239979 0.496509 0.748165 O\n0.237457 0.511494 0.255681 O\n0.244046 0.988225 0.726437 O\n0.243994 0.988042 0.261779 O\n0.751972 0.004026 0.260247 O\n0.751817 0.003818 0.743745 O\n0.774199 0.511675 0.255810 O\n0.756506 0.496285 0.748109 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Fe",
"O"
],
"chemical_system": "Fe-O-V",
"density": 5.309752973960235,
"density_atomic": 0.10095025506638466,
"volume": 138.68216569431777,
"volume_molar": 5.965453733663034,
"formula_full": "V4 Fe2 O8",
"formula_reduced": "V2FeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.277385414285714,
"spacegroup": 216
},
{
"id": "jvasp-120159",
"created_at": "2022-09-04T14:38:44.724592Z",
"updated_at": "2022-09-04T14:38:44.724618Z",
"structure_string": "Y1 Mn1 F1\n1.0\n4.576870 -0.000000 0.000000\n-2.288435 3.963686 -0.000000\n-0.000000 0.000000 2.960072\nY Mn F\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Y\n0.333335 0.666667 0.000000 Mn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Mn",
"F"
],
"chemical_system": "F-Mn-Y",
"density": 5.0355420369039114,
"density_atomic": 0.055866460916133245,
"volume": 53.69948177858628,
"volume_molar": 10.779527933656725,
"formula_full": "Y1 Mn1 F1",
"formula_reduced": "YMnF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9329843246264369,
"spacegroup": 187
}
]
}