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=energy_above_hull&page=4447",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4445",
"results": [
{
"id": "jvasp-120389",
"created_at": "2022-09-04T14:38:48.828784Z",
"updated_at": "2022-09-04T14:38:48.828807Z",
"structure_string": "Au1 C1 N2\n1.0\n4.436037 0.000000 0.000000\n-0.000000 4.436037 -0.000000\n-0.000000 -0.000000 3.674233\nAu C N\n1 1 2\ndirect\n0.500001 0.500001 0.765348 Au\n0.000000 0.000000 0.650930 C\n0.000000 0.000000 0.328780 N\n0.500001 0.500001 0.264939 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Au",
"C",
"N"
],
"chemical_system": "Au-C-N",
"density": 5.442811970276448,
"density_atomic": 0.05532265040619785,
"volume": 72.30311582381954,
"volume_molar": 10.885488521940616,
"formula_full": "Au1 C1 N2",
"formula_reduced": "AuCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.6122860175,
"spacegroup": 99
},
{
"id": "jvasp-120497",
"created_at": "2022-09-04T14:38:53.079719Z",
"updated_at": "2022-09-04T14:38:53.079743Z",
"structure_string": "Ta3 Si12 Mo3\n1.0\n13.151320 -0.000000 0.000000\n-0.000000 4.111854 2.345614\n0.000000 -0.001960 4.753121\nTa Si Mo\n3 12 3\ndirect\n0.249262 -0.000000 0.500000 Ta\n0.583844 0.500000 0.500000 Ta\n0.083428 0.500000 0.500000 Ta\n0.081948 0.164316 0.156181 Si\n0.583457 0.161796 0.164730 Si\n0.251142 0.678917 0.158018 Si\n0.750972 0.676804 0.158882 Si\n0.416616 0.162159 0.679597 Si\n0.915832 0.157990 0.675145 Si\n0.081948 0.835683 0.843819 Si\n0.583457 0.838203 0.835270 Si\n0.251142 0.321082 0.841982 Si\n0.750972 0.323195 0.841118 Si\n0.416616 0.837840 0.320402 Si\n0.915832 0.842009 0.324855 Si\n0.916286 0.500000 -0.000000 Mo\n0.416416 0.500000 -0.000000 Mo\n0.750826 -0.000000 0.500000 Mo\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Ta",
"density": 7.542033818899117,
"density_atomic": 0.0700139300042228,
"volume": 257.0916958798678,
"volume_molar": 8.60134656008709,
"formula_full": "Ta3 Si12 Mo3",
"formula_reduced": "TaSi4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.612506583333334,
"spacegroup": 3
},
{
"id": "jvasp-15371",
"created_at": "2022-09-04T14:36:53.182082Z",
"updated_at": "2022-09-04T14:36:53.182100Z",
"structure_string": "Y1 B2 Ru3\n1.0\n2.752543 -4.767545 -0.000000\n2.752543 4.767545 -0.000000\n0.000000 -0.000000 3.037815\nY B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.666667 0.333332 0.000000 B\n0.333332 0.666667 0.000000 B\n0.500000 -0.000001 0.499999 Ru\n0.499999 0.499999 0.499999 Ru\n-0.000001 0.500000 0.499999 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"B",
"Ru"
],
"chemical_system": "B-Ru-Y",
"density": 8.616960848287775,
"density_atomic": 0.07525424783311115,
"volume": 79.72971855762881,
"volume_molar": 8.002393131820416,
"formula_full": "Y1 B2 Ru3",
"formula_reduced": "YB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.613035352777778,
"spacegroup": 191
},
{
"id": "jvasp-92383",
"created_at": "2022-09-04T14:36:07.116838Z",
"updated_at": "2022-09-04T14:36:07.116865Z",
"structure_string": "U1 Cr2 Si2\n1.0\n3.698088 0.000000 -1.290396\n-0.450266 3.670574 -1.290396\n-0.035794 -0.040453 5.841712\nU Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.749999 0.499999 Cr\n0.750001 0.250000 0.499999 Cr\n0.616534 0.616534 0.233067 Si\n0.383466 0.383466 0.766932 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-U",
"density": 8.37934511438722,
"density_atomic": 0.0633633797677415,
"volume": 78.90993217734759,
"volume_molar": 9.50413437868081,
"formula_full": "U1 Cr2 Si2",
"formula_reduced": "U(CrSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.613165599999999,
"spacegroup": 139
},
{
"id": "jvasp-86276",
"created_at": "2022-09-04T14:38:12.885507Z",
"updated_at": "2022-09-04T14:38:12.885538Z",
"structure_string": "Np1 Mn2 Si2\n1.0\n3.633910 0.000000 -1.373830\n-0.519388 3.596601 -1.373830\n0.071191 0.082209 5.681237\nNp Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Mn\n0.249999 0.750000 0.500000 Mn\n0.381065 0.381066 0.762130 Si\n0.618934 0.618935 0.237870 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Mn",
"Si"
],
"chemical_system": "Mn-Np-Si",
"density": 8.914990137537936,
"density_atomic": 0.06660180265886352,
"volume": 75.07304307677907,
"volume_molar": 9.042008653798142,
"formula_full": "Np1 Mn2 Si2",
"formula_reduced": "Np(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.613524336551723,
"spacegroup": 139
},
{
"id": "jvasp-86878",
"created_at": "2022-09-04T14:36:17.152393Z",
"updated_at": "2022-09-04T14:36:17.152410Z",
"structure_string": "Np1 Mn2 Si2\n1.0\n3.633910 0.000000 -1.373830\n-0.519388 3.596601 -1.373830\n0.071191 0.082209 5.681237\nNp Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Mn\n0.249999 0.750000 0.500000 Mn\n0.381065 0.381066 0.762130 Si\n0.618934 0.618935 0.237870 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Mn",
"Si"
],
"chemical_system": "Mn-Np-Si",
"density": 8.914990137537936,
"density_atomic": 0.06660180265886352,
"volume": 75.07304307677907,
"volume_molar": 9.042008653798142,
"formula_full": "Np1 Mn2 Si2",
"formula_reduced": "Np(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.613524336551723,
"spacegroup": 139
},
{
"id": "jvasp-88718",
"created_at": "2022-09-04T14:36:01.457956Z",
"updated_at": "2022-09-04T14:36:01.457981Z",
"structure_string": "Rb2 Bi2 C8 S8 N8\n1.0\n6.459106 0.000000 0.000000\n0.000000 7.661090 0.000000\n0.000000 0.000000 11.137638\nRb Bi C S N\n2 2 8 8 8\ndirect\n0.658673 0.000000 0.500000 Rb\n0.341328 0.500000 0.000000 Rb\n0.003163 0.000000 0.000000 Bi\n-0.003163 0.500000 0.500000 Bi\n0.557732 0.539496 0.633313 C\n0.115199 0.799593 0.743253 C\n0.557732 0.460504 0.366687 C\n0.442268 0.039496 0.866687 C\n0.115199 0.200407 0.256747 C\n0.442268 0.960504 0.133313 C\n0.884801 0.700407 0.243253 C\n0.884801 0.299593 0.756747 C\n0.629217 0.086980 0.173510 S\n0.370784 0.586980 0.326490 S\n0.847429 0.658541 0.102368 S\n0.847429 0.341459 0.897632 S\n0.152572 0.158541 0.397632 S\n0.152572 0.841459 0.602369 S\n0.370784 0.413020 0.673510 S\n0.629217 0.913020 0.826490 S\n0.089368 0.773216 0.847368 N\n0.910633 0.726784 0.347368 N\n0.700853 0.372173 0.396587 N\n0.700853 0.627827 0.603413 N\n0.299148 0.127827 0.896587 N\n0.910633 0.273216 0.652633 N\n0.089368 0.226784 0.152632 N\n0.299148 0.872173 0.103413 N\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Rb",
"Bi",
"C",
"S",
"N"
],
"chemical_system": "Bi-C-N-Rb-S",
"density": 3.174318374762096,
"density_atomic": 0.05080447374029257,
"volume": 551.132566457301,
"volume_molar": 11.85356390223543,
"formula_full": "Rb2 Bi2 C8 S8 N8",
"formula_reduced": "RbBiC4(SN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.613802664285714,
"spacegroup": 18
},
{
"id": "jvasp-91935",
"created_at": "2022-09-04T14:36:04.428305Z",
"updated_at": "2022-09-04T14:36:04.428334Z",
"structure_string": "Re4 C4\n1.0\n-1.450688 -2.512691 -0.000000\n-1.450688 2.512691 0.000000\n0.000000 0.000000 -11.352366\nRe C\n4 4\ndirect\n0.666828 0.333173 0.126610 Re\n0.333173 0.666828 0.873390 Re\n0.333173 0.666828 0.626610 Re\n0.666828 0.333173 0.373390 Re\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.666602 0.333400 0.750000 C\n0.333400 0.666602 0.250000 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 15.908236490334076,
"density_atomic": 0.09666305221104593,
"volume": 82.76171522634601,
"volume_molar": 6.230033732901137,
"formula_full": "Re4 C4",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy_above_hull": 4.614338999999999,
"spacegroup": 194
},
{
"id": "jvasp-101979",
"created_at": "2022-09-04T14:36:57.936809Z",
"updated_at": "2022-09-04T14:36:57.936840Z",
"structure_string": "H16 Pb1 C10 O4\n1.0\n3.881337 0.020448 0.202307\n0.700357 4.328850 0.414202\n0.182080 0.020700 15.095580\nH Pb C O\n16 1 10 4\ndirect\n0.932073 0.832692 0.584893 H\n0.576216 0.323011 0.566417 H\n0.269900 0.247726 0.077159 H\n0.843760 0.321668 0.041402 H\n0.057936 0.281183 0.239135 H\n0.631843 0.327444 0.201519 H\n0.824247 0.298931 0.401610 H\n0.402877 0.321499 0.362544 H\n0.627505 0.809212 0.469071 H\n0.168349 0.311974 0.523598 H\n0.165199 0.761951 0.146243 H\n0.731619 0.826135 0.111537 H\n0.899085 0.789839 0.309167 H\n0.472233 0.826381 0.272566 H\n0.338087 0.824786 0.630928 H\n0.207079 0.820851 0.431131 H\n0.676408 0.129178 0.835262 Pb\n0.195263 0.594097 0.970663 C\n0.058702 0.437691 0.056770 C\n0.948765 0.644220 0.132663 C\n0.835617 0.457688 0.217221 C\n0.699308 0.654738 0.294027 C\n0.341708 0.470711 0.539528 C\n0.440694 0.660899 0.454199 C\n0.161735 0.675908 0.610742 C\n0.043843 0.503447 0.695658 C\n0.594232 0.463905 0.378600 C\n0.152474 0.479031 0.896798 O\n0.771248 0.624870 0.739462 O\n0.212405 0.234592 0.721012 O\n0.352090 0.821539 0.972655 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.6717341305999733,
"density_atomic": 0.12241963569967555,
"volume": 253.2273505212053,
"volume_molar": 4.919260481034057,
"formula_full": "H16 Pb1 C10 O4",
"formula_reduced": "H16Pb(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.614577574838711,
"spacegroup": 1
},
{
"id": "jvasp-71956",
"created_at": "2022-09-04T14:35:59.134506Z",
"updated_at": "2022-09-04T14:35:59.134539Z",
"structure_string": "Be1 Os2 Ru1\n1.0\n-1.831041 1.831041 3.969551\n1.831041 -1.831041 3.969551\n1.831041 1.831041 -3.969551\nBe Os Ru\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.000000 Os\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Os",
"Ru"
],
"chemical_system": "Be-Os-Ru",
"density": 15.301286280668052,
"density_atomic": 0.07513849222702217,
"volume": 53.23503149244022,
"volume_molar": 8.014721325262698,
"formula_full": "Be1 Os2 Ru1",
"formula_reduced": "BeOs2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.61480665,
"spacegroup": 139
},
{
"id": "jvasp-101874",
"created_at": "2022-09-04T14:36:50.075867Z",
"updated_at": "2022-09-04T14:36:50.075875Z",
"structure_string": "Sn1 H22 C12 O4\n1.0\n4.947819 0.056721 0.421284\n1.313480 6.991830 2.621098\n-0.005695 -0.316847 9.784166\nSn H C O\n1 22 12 4\ndirect\n0.326700 0.348552 0.120622 Sn\n0.503954 0.675095 0.616944 H\n0.086718 0.045245 0.223038 H\n0.387889 0.014009 0.324896 H\n0.560583 0.657181 0.032448 H\n0.196003 0.730239 0.065187 H\n0.339465 0.494147 0.725364 H\n0.427382 0.974845 0.151689 H\n0.387083 0.346116 0.525705 H\n0.707409 0.368078 0.578244 H\n0.670723 0.678703 0.365015 H\n0.315764 0.668402 0.904430 H\n0.277642 0.896813 0.711428 H\n0.381839 0.614017 0.309632 H\n0.877658 0.923920 0.887931 H\n0.691917 0.109090 0.751773 H\n0.242778 0.114239 0.874267 H\n0.079899 0.293637 0.728055 H\n0.114929 0.795168 0.444678 H\n0.882522 0.710072 0.754126 H\n0.724036 0.884761 0.600677 H\n0.078354 0.073718 0.573871 H\n0.963767 0.600639 0.538919 H\n0.038680 0.181608 0.826469 C\n0.064194 0.958843 0.675748 C\n0.902083 0.040599 0.789460 C\n0.087569 0.697840 0.552950 C\n0.925803 0.810451 0.649183 C\n0.575148 0.559281 0.368966 C\n0.871170 0.282328 0.926543 C\n0.367124 0.580552 0.613076 C\n0.769256 0.429250 0.299077 C\n0.303453 0.057367 0.216807 C\n0.352487 0.639265 0.018653 C\n0.512411 0.449755 0.526274 C\n0.021265 0.446940 0.281926 O\n-0.023104 0.393341 0.971334 O\n0.625575 0.255143 0.957992 O\n0.680207 0.302344 0.264949 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.6960801047400422,
"density_atomic": 0.11413613252347561,
"volume": 341.6972271421449,
"volume_molar": 5.276278972183819,
"formula_full": "Sn1 H22 C12 O4",
"formula_reduced": "SnH22(C3O)4",
"formula_anonymous": "AB4C12D22",
"energy_above_hull": 4.615010915384615,
"spacegroup": 1
},
{
"id": "jvasp-37306",
"created_at": "2022-09-04T14:38:15.133646Z",
"updated_at": "2022-09-04T14:38:15.133661Z",
"structure_string": "Sm8 Re4 C8\n1.0\n5.266079 -0.000000 0.000000\n-0.000000 6.655574 0.000000\n0.000000 0.000000 10.056548\nSm Re C\n8 4 8\ndirect\n0.750000 0.526820 0.785156 Sm\n0.250000 0.973180 0.285156 Sm\n0.750000 0.026820 0.714844 Sm\n0.250000 0.473180 0.214844 Sm\n0.750000 0.186171 0.051802 Sm\n0.250000 0.813829 0.948198 Sm\n0.750000 0.686170 0.448198 Sm\n0.250000 0.313829 0.551802 Sm\n0.750000 0.725982 0.138214 Re\n0.250000 0.774017 0.638214 Re\n0.250000 0.274018 0.861786 Re\n0.750000 0.225982 0.361786 Re\n0.250000 0.039289 0.741650 C\n0.750000 0.460711 0.241650 C\n0.250000 0.539289 0.758350 C\n0.750000 0.960710 0.258350 C\n0.250000 0.683156 0.456381 C\n0.750000 0.816844 0.956381 C\n0.250000 0.183156 0.043619 C\n0.750000 0.316844 0.543619 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Re",
"C"
],
"chemical_system": "C-Re-Sm",
"density": 9.628625935074334,
"density_atomic": 0.05674246237628165,
"volume": 352.46972306862733,
"volume_molar": 10.613111429787462,
"formula_full": "Sm8 Re4 C8",
"formula_reduced": "Sm2ReC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.61509715,
"spacegroup": 62
}
]
}