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=-updated_at&page=365",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=363",
"results": [
{
"id": "jvasp-112099",
"created_at": "2022-09-04T14:38:44.666141Z",
"updated_at": "2022-09-04T14:38:44.666170Z",
"structure_string": "H9 C13 S1 N1\n1.0\n3.576739 0.399095 -0.778507\n-1.124506 5.629725 0.228447\n-0.557361 0.301893 11.188456\nH C S N\n9 13 1 1\ndirect\n0.968465 0.085995 0.845197 H\n0.927548 0.127794 0.411808 H\n0.250964 0.279473 0.014523 H\n0.136553 0.800371 0.583768 H\n0.354521 0.859505 0.222654 H\n0.398511 0.803890 0.807434 H\n0.522729 0.791139 0.449293 H\n0.708564 0.082838 0.620381 H\n0.747525 0.191075 0.185985 H\n0.690499 0.322736 0.242695 C\n0.862866 0.241545 0.660196 C\n0.790654 0.285770 0.371314 C\n0.008088 0.243099 0.787633 C\n0.496580 0.602163 0.054346 C\n0.548240 0.534497 0.188028 C\n0.095708 0.642588 0.640723 C\n0.748132 0.457342 0.448215 C\n0.199851 0.446198 0.843178 C\n0.483486 0.700481 0.264703 C\n0.578831 0.661220 0.391698 C\n0.246632 0.646590 0.767384 C\n0.899855 0.442884 0.583687 C\n0.665712 0.871061 0.017263 S\n0.322786 0.436655 0.974021 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5398862363129495,
"density_atomic": 0.10533864989139627,
"volume": 227.83660152037172,
"volume_molar": 5.716933685982119,
"formula_full": "H9 C13 S1 N1",
"formula_reduced": "H9C13SN",
"formula_anonymous": "ABC9D13",
"energy_above_hull": 5.774490135416666,
"spacegroup": 1
},
{
"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-120436",
"created_at": "2022-09-04T14:38:44.656737Z",
"updated_at": "2022-09-04T14:38:44.656769Z",
"structure_string": "Na4 Cl12\n1.0\n5.662046 0.000000 0.000000\n0.000000 7.893322 0.000000\n-0.000000 -0.000000 8.357668\nNa Cl\n4 12\ndirect\n0.250000 0.040381 0.821529 Na\n0.250000 0.459619 0.321529 Na\n0.750001 0.959619 0.178472 Na\n0.750001 0.540380 0.678472 Na\n0.250000 0.347076 0.640823 Cl\n0.250000 0.152924 0.140823 Cl\n0.750001 0.652924 0.359177 Cl\n0.750001 0.847076 0.859177 Cl\n0.250000 0.783420 0.580568 Cl\n0.250000 0.716580 0.080568 Cl\n0.750001 0.216580 0.419432 Cl\n0.750001 0.283420 0.919432 Cl\n0.250000 0.544077 0.874700 Cl\n0.250000 0.955923 0.374700 Cl\n0.750001 0.455923 0.125300 Cl\n0.750001 0.044077 0.625300 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Na",
"Cl"
],
"chemical_system": "Cl-Na",
"density": 2.3001335955706486,
"density_atomic": 0.042835284359400504,
"volume": 373.52384230148544,
"volume_molar": 14.058832222222422,
"formula_full": "Na4 Cl12",
"formula_reduced": "NaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.25060703375,
"spacegroup": 62
},
{
"id": "jvasp-115295",
"created_at": "2022-09-04T14:38:44.653376Z",
"updated_at": "2022-09-04T14:38:44.653402Z",
"structure_string": "Y1 Pb1 O1\n1.0\n4.943750 -0.000000 0.000000\n-2.471875 4.281413 -0.000000\n-0.000000 -0.000000 3.514702\nY Pb O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Y\n0.333332 0.666666 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Pb",
"O"
],
"chemical_system": "O-Pb-Y",
"density": 6.9665544969182385,
"density_atomic": 0.0403263692044439,
"volume": 74.39301031022165,
"volume_molar": 14.933505988276202,
"formula_full": "Y1 Pb1 O1",
"formula_reduced": "YPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6295532566666666,
"spacegroup": 187
},
{
"id": "jvasp-112144",
"created_at": "2022-09-04T14:38:44.652926Z",
"updated_at": "2022-09-04T14:38:44.652944Z",
"structure_string": "Mg2 H12 C10 O8\n1.0\n4.775671 0.003215 -0.116741\n-0.737323 6.051150 -0.943803\n0.068848 0.010499 8.837872\nMg H C O\n2 12 10 8\ndirect\n0.798590 0.729212 0.753872 Mg\n0.298598 0.229206 0.753864 Mg\n0.045365 0.240381 0.268672 H\n0.545361 0.740381 0.268666 H\n0.789121 0.008489 0.229520 H\n0.289120 0.508489 0.229516 H\n0.953785 0.677164 0.395640 H\n0.453781 0.177169 0.395637 H\n0.101572 0.941781 0.382548 H\n0.775228 0.453210 0.117836 H\n0.275222 0.953211 0.117834 H\n0.481260 0.249471 0.097226 H\n0.981246 0.749477 0.097231 H\n0.601576 0.441785 0.382549 H\n0.318314 0.689332 0.249261 C\n0.711779 0.274622 0.106875 C\n0.211767 0.774624 0.106876 C\n0.818317 0.189333 0.249263 C\n0.658597 0.276122 0.389991 C\n0.803937 0.305026 0.546610 C\n0.825087 0.170844 0.957809 C\n0.325057 0.670844 0.957805 C\n0.303938 0.805030 0.546610 C\n0.158599 0.776120 0.389990 C\n0.157299 0.884716 0.660161 O\n0.555839 0.769087 0.562564 O\n0.055841 0.269097 0.562563 O\n0.153878 0.578759 0.847137 O\n0.653916 0.078720 0.847145 O\n0.591098 0.675719 0.946647 O\n0.091133 0.175763 0.946650 O\n0.657289 0.384698 0.660165 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.006859420465397,
"density_atomic": 0.1252362402076651,
"volume": 255.51709271164654,
"volume_molar": 4.808624684048455,
"formula_full": "Mg2 H12 C10 O8",
"formula_reduced": "MgH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.190170815625,
"spacegroup": 1
},
{
"id": "jvasp-115106",
"created_at": "2022-09-04T14:38:44.650360Z",
"updated_at": "2022-09-04T14:38:44.650394Z",
"structure_string": "S1 I1 O2\n1.0\n4.036520 -0.000000 0.000000\n-0.000000 4.036520 -0.000000\n0.000000 -0.000000 4.508751\nS I O\n1 1 2\ndirect\n0.500001 0.500001 0.486080 S\n0.000000 0.000000 0.973934 I\n0.000000 0.000000 0.397922 O\n0.500001 0.500001 0.152064 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"S",
"I",
"O"
],
"chemical_system": "I-O-S",
"density": 4.316580478366993,
"density_atomic": 0.0544489516537538,
"volume": 73.46330606025973,
"volume_molar": 11.060159244746128,
"formula_full": "S1 I1 O2",
"formula_reduced": "SIO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.57262831875,
"spacegroup": 99
},
{
"id": "jvasp-115484",
"created_at": "2022-09-04T14:38:44.648602Z",
"updated_at": "2022-09-04T14:38:44.648628Z",
"structure_string": "B1 I3\n1.0\n6.919813 -1.643810 -0.446321\n4.579712 -5.122870 0.774838\n3.659045 -2.098778 -5.479560\nB I\n1 3\ndirect\n0.180964 0.233328 0.005784 B\n0.161974 0.939348 0.007822 I\n0.163614 0.248918 0.318328 I\n0.206435 0.520980 0.692781 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"I"
],
"chemical_system": "B-I",
"density": 4.180656369297765,
"density_atomic": 0.025721513643353316,
"volume": 155.51184333328058,
"volume_molar": 23.412855260002083,
"formula_full": "B1 I3",
"formula_reduced": "BI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8690903520833333,
"spacegroup": 8
},
{
"id": "jvasp-116842",
"created_at": "2022-09-04T14:38:44.646551Z",
"updated_at": "2022-09-04T14:38:44.646572Z",
"structure_string": "Na12 Co4 O12\n1.0\n7.387111 -0.000319 0.000122\n0.000231 7.387219 -0.000223\n-0.000118 0.000125 7.387029\nNa Co O\n12 4 12\ndirect\n0.043182 0.043183 0.043177 Na\n0.204092 0.295910 0.704092 Na\n0.227601 0.727598 0.772394 Na\n0.272397 0.272400 0.272401 Na\n0.295903 0.704101 0.204096 Na\n0.456813 0.956834 0.543191 Na\n0.543179 0.456820 0.956819 Na\n0.704093 0.204094 0.295905 Na\n0.727602 0.772402 0.227605 Na\n0.772398 0.227599 0.727598 Na\n0.795901 0.795900 0.795906 Na\n0.956813 0.543171 0.456814 Na\n0.017846 0.517850 0.982154 Co\n0.482154 0.482156 0.482154 Co\n0.517846 0.982151 0.017849 Co\n0.982159 0.017843 0.517843 Co\n0.001297 0.227045 0.399880 O\n0.100139 0.998701 0.727042 O\n0.227049 0.399882 0.001303 O\n0.272937 0.600107 0.501294 O\n0.399883 0.001303 0.227057 O\n0.498697 0.772945 0.899888 O\n0.501300 0.272952 0.600125 O\n0.600134 0.501302 0.272949 O\n0.727052 0.100113 0.998696 O\n0.772945 0.899890 0.498709 O\n0.899876 0.498698 0.772946 O\n-0.001300 0.727059 0.100115 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 2.8983528735852713,
"density_atomic": 0.06945965587842202,
"volume": 403.1117005389359,
"volume_molar": 8.669983580887287,
"formula_full": "Na12 Co4 O12",
"formula_reduced": "Na3CoO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.1688712,
"spacegroup": 198
},
{
"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-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-112143",
"created_at": "2022-09-04T14:38:44.637481Z",
"updated_at": "2022-09-04T14:38:44.637504Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.139078 -0.034901 1.026675\n-0.538096 5.599164 2.119111\n-0.184856 -0.019100 8.124204\nMg H C O\n2 4 6 8\ndirect\n0.357997 0.115401 0.588644 Mg\n0.980406 0.400769 0.040435 Mg\n0.620862 0.652100 0.548307 H\n0.284233 0.920671 0.082112 H\n0.953259 0.498557 0.609594 H\n0.652393 0.786569 0.071159 H\n0.439483 0.812173 0.164046 C\n0.743494 0.583291 0.658069 C\n0.550627 0.953237 0.265881 C\n0.256218 0.571969 0.281730 C\n0.513871 0.398178 0.814993 C\n0.870336 0.778353 0.710067 C\n0.316278 0.259300 0.791410 O\n0.504200 0.396375 0.975448 O\n0.350936 0.445755 0.420637 O\n0.797865 -0.006971 0.648279 O\n0.823330 0.074175 0.196202 O\n0.072567 0.726663 0.811583 O\n0.364432 0.947179 0.413149 O\n0.015999 0.506338 0.235955 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.2157186779604605,
"density_atomic": 0.10560592415048817,
"volume": 189.38331500702606,
"volume_molar": 5.702464902838656,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.715155305,
"spacegroup": 1
},
{
"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
}
]
}