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=-nsites&page=662",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=660",
"results": [
{
"id": "jvasp-101931",
"created_at": "2022-09-04T14:37:00.967049Z",
"updated_at": "2022-09-04T14:37:00.967081Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.604879 0.024797 1.885982\n2.664707 6.368579 -0.134467\n-0.195111 -0.162247 6.041826\nMg H C O\n2 4 6 8\ndirect\n0.523892 0.191799 0.526973 Mg\n0.900513 0.103082 0.967648 Mg\n0.307871 0.929708 0.339596 H\n0.064651 0.644893 0.684660 H\n0.469644 0.638365 0.327636 H\n0.805565 0.658849 -0.028353 H\n0.827625 0.651973 0.782604 C\n0.294337 0.777393 0.311748 C\n0.588170 0.857077 0.779716 C\n0.809784 0.447043 0.709269 C\n0.185043 0.380557 0.197800 C\n0.056235 0.774628 0.260828 C\n0.445844 0.328681 0.223986 O\n0.002026 0.588306 0.221888 O\n0.583282 0.435369 0.671259 O\n0.070415 0.254793 0.158707 O\n0.328924 0.872056 0.783040 O\n0.825596 0.940631 0.248105 O\n0.665686 0.018818 0.773359 O\n0.046035 0.277791 0.695817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.3545740822743895,
"density_atomic": 0.11222407177081697,
"volume": 178.21488460019367,
"volume_molar": 5.366175602947614,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.720267305,
"spacegroup": 1
},
{
"id": "jvasp-49167",
"created_at": "2022-09-04T14:37:04.422605Z",
"updated_at": "2022-09-04T14:37:04.422631Z",
"structure_string": "Sm2 Er6 Se12\n1.0\n0.000000 11.486123 0.009119\n4.073853 0.000000 0.000000\n0.000000 -3.872267 -11.117674\nSm Er Se\n2 6 12\ndirect\n0.453195 0.250000 0.804685 Sm\n0.546804 0.750000 0.195315 Sm\n0.340364 0.250000 0.415120 Er\n0.659635 0.750000 0.584880 Er\n0.818622 0.250000 0.999160 Er\n0.181378 0.750000 0.000839 Er\n0.063139 0.250000 0.666616 Er\n0.936860 0.750000 0.333384 Er\n0.106633 0.250000 0.440319 Se\n0.893366 0.750000 0.559680 Se\n0.981034 0.750000 0.115341 Se\n0.018965 0.250000 0.884658 Se\n0.615543 0.750000 0.965362 Se\n0.303519 0.750000 0.249748 Se\n0.417078 0.750000 0.595832 Se\n0.582921 0.250000 0.404168 Se\n0.240557 0.750000 0.774030 Se\n0.696481 0.250000 0.750251 Se\n0.384457 0.250000 0.034638 Se\n0.759442 0.250000 0.225969 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Er",
"Se"
],
"chemical_system": "Er-Se-Sm",
"density": 7.189606322011735,
"density_atomic": 0.038455401599882595,
"volume": 520.0829836103196,
"volume_molar": 15.66006467091059,
"formula_full": "Sm2 Er6 Se12",
"formula_reduced": "Sm(ErSe2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.4782839074999998,
"spacegroup": 11
},
{
"id": "jvasp-55753",
"created_at": "2022-09-04T14:36:47.075312Z",
"updated_at": "2022-09-04T14:36:47.075340Z",
"structure_string": "Dy4 Co4 O12\n1.0\n5.132540 0.000000 0.000000\n0.000000 5.503390 0.000000\n0.000000 0.000000 7.378034\nDy Co O\n4 4 12\ndirect\n0.021510 0.924405 0.750000 Dy\n0.521510 0.575595 0.250000 Dy\n0.478490 0.424405 0.750000 Dy\n0.978490 0.075595 0.250000 Dy\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.601381 0.027770 0.750000 O\n0.101381 0.472230 0.250000 O\n0.690234 0.302054 0.049996 O\n0.190234 0.197946 0.950003 O\n0.809766 0.802054 0.450003 O\n0.190234 0.197946 0.549996 O\n0.309766 0.697946 0.950003 O\n0.809766 0.802054 0.049996 O\n0.898619 0.527770 0.750000 O\n0.690234 0.302054 0.450003 O\n0.309766 0.697946 0.549996 O\n0.398619 0.972230 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Co",
"O"
],
"chemical_system": "Co-Dy-O",
"density": 8.587247954226834,
"density_atomic": 0.09596805884341568,
"volume": 208.40267315016334,
"volume_molar": 6.275151162352782,
"formula_full": "Dy4 Co4 O12",
"formula_reduced": "DyCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.03090358,
"spacegroup": 62
},
{
"id": "jvasp-58927",
"created_at": "2022-09-04T14:37:03.815612Z",
"updated_at": "2022-09-04T14:37:03.815626Z",
"structure_string": "Ge2 P4 O14\n1.0\n4.698623 -0.031301 0.011515\n-1.831059 6.542357 0.005245\n-0.367786 -0.318797 7.803299\nGe P O\n2 4 14\ndirect\n0.499999 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.888353 0.254280 0.310476 P\n0.111645 0.745720 0.689524 P\n0.469232 0.858248 0.235783 P\n0.530767 0.141752 0.764217 P\n0.964882 0.236686 0.123160 O\n0.035116 0.763314 0.876840 O\n0.378953 0.667203 0.339554 O\n0.621046 0.332797 0.660446 O\n0.702438 0.405644 0.324007 O\n0.297560 0.594356 0.675994 O\n0.848909 0.709632 0.559231 O\n0.687249 0.032350 0.360014 O\n0.365542 0.165282 0.924291 O\n0.151089 0.290368 0.440770 O\n0.808476 0.072436 0.804424 O\n0.191522 0.927564 0.195576 O\n0.312749 0.967650 0.639987 O\n0.634457 0.834718 0.075710 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ge",
"P",
"O"
],
"chemical_system": "Ge-O-P",
"density": 3.4197423753701854,
"density_atomic": 0.0835180969274829,
"volume": 239.46905803380076,
"volume_molar": 7.210581875720786,
"formula_full": "Ge2 P4 O14",
"formula_reduced": "GeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.622853145,
"spacegroup": 2
},
{
"id": "jvasp-103808",
"created_at": "2022-09-04T14:36:48.043875Z",
"updated_at": "2022-09-04T14:36:48.043885Z",
"structure_string": "H10 C6 S2 N2\n1.0\n4.954190 -0.018110 -0.558214\n-0.834976 6.130692 -1.431634\n-0.015474 0.100291 6.362039\nH C S N\n10 6 2 2\ndirect\n0.864470 0.172257 0.054629 H\n0.187914 0.844906 0.986030 H\n0.724919 0.109859 0.491060 H\n0.725356 0.610853 0.991363 H\n0.725201 0.850678 0.749854 H\n0.185341 0.347737 0.488834 H\n0.863242 0.914083 0.313513 H\n0.860674 0.412963 0.813924 H\n0.861890 0.672677 0.553499 H\n0.724774 0.350366 0.248855 H\n0.923647 0.304558 0.201531 C\n0.923057 0.804079 0.700914 C\n0.922756 0.560475 0.945113 C\n0.923340 0.061096 0.445596 C\n0.066559 0.498166 0.139047 C\n0.066559 0.997972 0.639244 C\n0.346488 0.640369 0.281225 S\n0.346490 0.139518 0.782076 S\n0.081602 0.722642 0.863882 N\n0.081737 0.224812 0.366043 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.493035439831726,
"density_atomic": 0.10317774224632195,
"volume": 193.8402562856327,
"volume_molar": 5.836666541532775,
"formula_full": "H10 C6 S2 N2",
"formula_reduced": "H5C3SN",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 4.556550324999999,
"spacegroup": 6
},
{
"id": "jvasp-12089",
"created_at": "2022-09-04T14:36:58.885069Z",
"updated_at": "2022-09-04T14:36:58.885092Z",
"structure_string": "Hg4 Br4 O12\n1.0\n4.429891 -0.000000 -1.052941\n-0.605617 8.149164 -2.547927\n-0.035961 -0.081776 9.693804\nHg Br O\n4 4 12\ndirect\n0.900604 0.017889 0.870799 Hg\n0.099395 0.982109 0.129200 Hg\n0.970194 0.517889 0.870799 Hg\n0.029806 0.482110 0.129201 Hg\n0.278326 0.662837 0.647113 Br\n0.631212 0.837161 0.352886 Br\n0.721673 0.337161 0.352886 Br\n0.368787 0.162838 0.647113 Br\n0.686936 0.047371 0.653135 O\n0.033800 0.452628 0.346864 O\n0.340309 0.215609 0.824883 O\n0.122695 0.834186 0.628822 O\n0.493873 0.665813 0.371177 O\n0.877304 0.165813 0.371177 O\n0.506126 0.334186 0.628822 O\n0.484574 0.715609 0.824883 O\n0.659691 0.784390 0.175116 O\n0.515425 0.284390 0.175116 O\n0.966199 0.547371 0.653135 O\n0.313063 0.952628 0.346864 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-O",
"density": 6.257918333119993,
"density_atomic": 0.0573621916740438,
"volume": 348.6617128168402,
"volume_molar": 10.498449561028538,
"formula_full": "Hg4 Br4 O12",
"formula_reduced": "HgBrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.176487841,
"spacegroup": 15
},
{
"id": "jvasp-49151",
"created_at": "2022-09-04T14:36:47.507781Z",
"updated_at": "2022-09-04T14:36:47.507803Z",
"structure_string": "Y6 Sb8 Au6\n1.0\n8.111281 -0.000000 -2.867771\n-4.055640 7.024576 -2.867771\n0.000000 0.000000 8.603313\nY Sb Au\n6 8 6\ndirect\n0.250000 0.625000 0.375000 Y\n0.375000 0.250000 0.625000 Y\n0.125000 0.750000 0.875000 Y\n0.875000 0.125000 0.750000 Y\n0.625000 0.375000 0.250000 Y\n0.750000 0.875001 0.125000 Y\n0.820357 0.500000 0.000000 Sb\n0.179643 0.179643 0.179643 Sb\n0.000000 0.820357 0.500000 Sb\n0.679643 0.679644 0.679643 Sb\n0.500000 0.000000 0.820357 Sb\n0.000000 0.320357 0.500000 Sb\n0.500000 0.000000 0.320357 Sb\n0.320357 0.500000 0.000000 Sb\n0.750000 0.375000 0.625000 Au\n0.375000 0.625000 0.750000 Au\n0.625000 0.750000 0.375000 Au\n0.875000 0.250000 0.125000 Au\n0.250000 0.125000 0.875000 Au\n0.125000 0.875001 0.250000 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Sb",
"Au"
],
"chemical_system": "Au-Sb-Y",
"density": 9.109937705570143,
"density_atomic": 0.04079948768441722,
"volume": 490.2022337804676,
"volume_molar": 14.760334263462015,
"formula_full": "Y6 Sb8 Au6",
"formula_reduced": "Y3Sb4Au3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.886963346,
"spacegroup": 220
},
{
"id": "jvasp-18996",
"created_at": "2022-09-04T14:36:47.895673Z",
"updated_at": "2022-09-04T14:36:47.895682Z",
"structure_string": "As8 O12\n1.0\n6.727915 -0.000000 3.884364\n2.242639 6.343140 3.884364\n0.000000 0.000000 7.768728\nAs O\n8 12\ndirect\n0.768688 0.768688 0.768687 As\n0.806063 0.231312 0.231312 As\n0.231313 0.806062 0.231312 As\n0.193938 0.768688 0.768687 As\n0.768688 0.193938 0.768687 As\n0.768688 0.768688 0.193937 As\n0.231312 0.231312 0.231312 As\n0.231312 0.231312 0.806062 As\n0.054172 0.695828 0.695828 O\n0.695828 0.695828 0.054171 O\n0.945828 0.304172 0.304171 O\n0.054172 0.695828 0.054172 O\n0.695828 0.054172 0.695827 O\n0.945828 0.304172 0.945827 O\n0.945829 0.945828 0.304171 O\n0.304172 0.304172 0.945828 O\n0.304173 0.945828 0.304172 O\n0.695828 0.054172 0.054172 O\n0.304173 0.945828 0.945827 O\n0.054172 0.054172 0.695828 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"As",
"O"
],
"chemical_system": "As-O",
"density": 3.9636158499905143,
"density_atomic": 0.06032471609950873,
"volume": 331.5390654637971,
"volume_molar": 9.982874598309204,
"formula_full": "As8 O12",
"formula_reduced": "As2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.2751488,
"spacegroup": 227
},
{
"id": "jvasp-48541",
"created_at": "2022-09-04T14:36:47.113836Z",
"updated_at": "2022-09-04T14:36:47.113846Z",
"structure_string": "Li8 V2 O8 F2\n1.0\n0.000000 5.125517 0.050415\n9.378870 0.000000 0.000000\n0.000000 -2.538889 -4.914911\nLi V O F\n8 2 8 2\ndirect\n0.574671 0.522313 0.848659 Li\n0.424709 0.741961 0.495642 Li\n0.194527 0.502299 0.301509 Li\n0.246363 0.035457 0.598013 Li\n0.753637 0.535457 0.401986 Li\n0.805473 0.002299 0.698489 Li\n0.575291 0.241961 0.504356 Li\n0.425329 0.022313 0.151340 Li\n0.132842 0.719126 0.855768 V\n0.867158 0.219126 0.144231 V\n0.613487 0.143428 0.835988 O\n0.787551 0.688416 0.815684 O\n0.159003 0.627765 0.590883 O\n0.178906 0.902914 0.837783 O\n0.821093 0.402914 0.162215 O\n0.840997 0.127765 0.409116 O\n0.212449 0.188416 0.184315 O\n0.386512 0.643428 0.164011 O\n0.557017 0.428058 0.548339 F\n0.442983 0.928058 0.451660 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.2845547898277343,
"density_atomic": 0.08508214364595514,
"volume": 235.06694992575936,
"volume_molar": 7.078031302383973,
"formula_full": "Li8 V2 O8 F2",
"formula_reduced": "Li4VO4F",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.7316318482500002,
"spacegroup": 4
},
{
"id": "jvasp-55312",
"created_at": "2022-09-04T14:36:43.741763Z",
"updated_at": "2022-09-04T14:36:43.741778Z",
"structure_string": "Tl2 V4 Ag2 O12\n1.0\n5.827117 0.045508 0.958436\n1.174022 7.298772 0.399636\n0.078908 0.028966 7.402908\nTl V Ag O\n2 4 2 12\ndirect\n0.250000 0.287894 0.712107 Tl\n0.750000 0.712106 0.287895 Tl\n0.717143 0.630134 0.795639 V\n0.782858 0.204362 0.369867 V\n0.282858 0.369867 0.204362 V\n0.217142 0.795639 0.630134 V\n0.250000 0.894408 0.105593 Ag\n0.750001 0.105593 0.894409 Ag\n0.351774 0.201420 0.050428 O\n0.148226 0.949572 0.798581 O\n0.480178 0.640776 0.666773 O\n0.727555 0.098996 0.575211 O\n0.772446 0.424790 0.901005 O\n0.272446 0.901005 0.424790 O\n0.227554 0.575211 0.098996 O\n0.980179 0.666773 0.640777 O\n0.519822 0.359225 0.333228 O\n0.019822 0.333228 0.359225 O\n0.851774 0.050428 0.201421 O\n0.648226 0.798580 0.949573 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-O-Tl-V",
"density": 5.397715822275791,
"density_atomic": 0.06372051658791357,
"volume": 313.8706506311278,
"volume_molar": 9.45086619266717,
"formula_full": "Tl2 V4 Ag2 O12",
"formula_reduced": "TlV2AgO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4725679260000004,
"spacegroup": 15
},
{
"id": "jvasp-19062",
"created_at": "2022-09-04T14:36:54.741750Z",
"updated_at": "2022-09-04T14:36:54.741776Z",
"structure_string": "Sr4 Zr4 O12\n1.0\n5.839405 -0.032289 -0.000000\n-0.034548 5.839392 0.000000\n-0.000000 0.000000 8.279063\nSr Zr O\n4 4 12\ndirect\n0.506544 0.493456 0.250000 Sr\n0.493457 0.506543 0.750000 Sr\n0.011980 0.988019 0.250000 Sr\n0.988020 0.011980 0.750000 Sr\n-0.000000 0.500000 0.500000 Zr\n0.500000 -0.000000 0.500000 Zr\n0.500000 -0.000000 0.000000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.292043 0.292043 0.500000 O\n0.707957 0.707956 0.000000 O\n0.957479 0.448182 0.750000 O\n0.211186 0.788814 0.954891 O\n0.788815 0.211186 0.454892 O\n0.788815 0.211186 0.045108 O\n0.211186 0.788814 0.545108 O\n0.551818 0.042522 0.750000 O\n0.448183 0.957478 0.250000 O\n0.042521 0.551817 0.250000 O\n0.292043 0.292043 0.000000 O\n0.707957 0.707956 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 5.3373997634690005,
"density_atomic": 0.07084786842816024,
"volume": 282.2950138617086,
"volume_molar": 8.500101546606802,
"formula_full": "Sr4 Zr4 O12",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6231902619999998,
"spacegroup": 63
},
{
"id": "jvasp-54286",
"created_at": "2022-09-04T14:36:43.770065Z",
"updated_at": "2022-09-04T14:36:43.770081Z",
"structure_string": "Mg4 Si4 O12\n1.0\n4.771624 -0.435988 1.009782\n1.040501 6.184661 0.818788\n-0.650531 0.331725 6.282504\nMg Si O\n4 4 12\ndirect\n0.749999 0.887583 0.112416 Mg\n0.750000 0.299290 0.700708 Mg\n0.250000 0.112415 0.887583 Mg\n0.250000 0.700708 0.299291 Mg\n0.472322 0.671474 0.830319 Si\n0.527677 0.328525 0.169681 Si\n0.027678 0.169681 0.328525 Si\n0.972322 0.830318 0.671474 Si\n0.803184 0.600423 0.711309 O\n0.422166 0.384342 0.895442 O\n0.577834 0.615657 0.104558 O\n0.922165 0.895441 0.384343 O\n0.196815 0.399576 0.288690 O\n0.696815 0.288690 0.399576 O\n0.868554 0.200589 0.062167 O\n0.077835 0.104557 0.615657 O\n0.303185 0.711309 0.600424 O\n0.368554 0.062167 0.200589 O\n0.131446 0.799410 0.937833 O\n0.631445 0.937832 0.799410 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.48016022865973,
"density_atomic": 0.10438433195959965,
"volume": 191.5996359275518,
"volume_molar": 5.76919988560235,
"formula_full": "Mg4 Si4 O12",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.45917563,
"spacegroup": 15
}
]
}