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=4619",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4617",
"results": [
{
"id": "jvasp-103900",
"created_at": "2022-09-04T14:37:01.870945Z",
"updated_at": "2022-09-04T14:37:01.870981Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n5.032582 -0.030513 0.212828\n0.800615 6.453481 1.987840\n0.146263 -0.043028 9.148401\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.002348 0.682355 0.914988 Al\n0.771364 0.365385 0.380037 H\n0.486947 0.597098 0.490371 H\n0.649524 0.410852 0.644520 H\n0.226415 0.222171 0.697692 H\n0.075821 0.416045 0.544958 H\n0.731122 0.809320 0.248900 H\n0.448187 0.946493 0.310883 H\n0.440462 0.317646 0.366156 H\n0.866636 0.787577 0.490466 H\n0.810886 0.056488 0.621977 H\n0.497728 0.995354 0.580378 H\n0.361676 0.090729 0.017187 H\n0.579631 0.273539 0.908113 H\n0.612686 0.283573 0.163360 H\n0.914072 0.151747 0.117517 H\n0.013567 0.008431 0.383307 H\n0.569787 0.125321 0.996165 C\n0.699679 0.138678 0.141957 C\n0.675879 0.070418 0.527794 C\n0.819145 0.949415 0.421966 C\n0.663395 0.952086 0.280916 C\n0.502584 0.432647 0.555427 C\n0.598324 0.300635 0.448229 C\n0.135634 0.510006 0.738713 C\n0.728697 0.961171 0.940695 C\n0.230746 0.385546 0.631800 C\n0.145444 0.530825 0.139300 Cl\n0.251673 0.663395 0.752094 O\n0.980462 0.968756 0.901166 O\n0.639517 0.791201 0.940744 O\n0.929669 0.469955 0.828617 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4658350509312699,
"density_atomic": 0.10754292077039213,
"volume": 297.55561566270933,
"volume_molar": 5.599755629529051,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533833152109374,
"spacegroup": 1
},
{
"id": "jvasp-29047",
"created_at": "2022-09-04T14:37:05.424899Z",
"updated_at": "2022-09-04T14:37:05.424918Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.345399 0.000001 -0.000000\n-1.672699 2.897195 0.000045\n-0.000002 -0.000424 35.157785\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666620 0.333239 0.033607 Te\n0.666633 0.333266 0.141705 Te\n0.333297 0.666593 0.087600 Mo\n0.333333 0.666666 0.473918 W\n0.666697 0.333395 0.286402 W\n0.666669 0.333337 0.654967 W\n0.333367 0.666735 0.334077 Se\n0.666645 0.333287 0.426267 Se\n0.666685 0.333368 0.521582 Se\n0.333375 0.666752 0.238725 Se\n0.333346 0.666692 0.698325 S\n0.333342 0.666685 0.611573 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.250334501844066,
"density_atomic": 0.03521551267024519,
"volume": 340.7589181610642,
"volume_molar": 17.100818086593744,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.122187075,
"spacegroup": 156
},
{
"id": "jvasp-28395",
"created_at": "2022-09-04T14:36:53.874347Z",
"updated_at": "2022-09-04T14:36:53.874376Z",
"structure_string": "Y1 Fe2 Bi2 Se2 O4\n1.0\n3.814006 -0.000000 -0.595983\n-0.093126 3.812807 -0.595961\n0.065357 0.067038 12.920174\nY Fe Bi Se O\n1 2 2 2 4\ndirect\n0.999993 0.999983 0.999986 Y\n0.250010 0.750075 0.500020 Fe\n0.750009 0.249985 0.500017 Fe\n0.399552 0.399549 0.799100 Bi\n0.600440 0.600420 0.200879 Bi\n0.812986 0.812961 0.625972 Se\n0.187032 0.187095 0.374064 Se\n0.554844 0.054827 0.109685 O\n0.945148 0.445144 0.890294 O\n0.054844 0.554825 0.109687 O\n0.445149 0.945144 0.890297 O\n",
"nsites": 11,
"nelements": 5,
"elements": [
"Y",
"Fe",
"Bi",
"Se",
"O"
],
"chemical_system": "Bi-Fe-O-Se-Y",
"density": 7.416097255521327,
"density_atomic": 0.05845135616687391,
"volume": 188.19067206235363,
"volume_molar": 10.30282469889539,
"formula_full": "Y1 Fe2 Bi2 Se2 O4",
"formula_reduced": "YFe2Bi2(SeO2)2",
"formula_anonymous": "AB2C2D2E4",
"energy_above_hull": 2.504320525757576,
"spacegroup": 139
},
{
"id": "jvasp-8421",
"created_at": "2022-09-04T14:36:53.671400Z",
"updated_at": "2022-09-04T14:36:53.671411Z",
"structure_string": "Ba1 Y1 Cu1 Ni1 O5\n1.0\n3.870163 0.000000 0.000000\n0.000000 3.870163 0.000000\n0.000000 -0.000000 7.504831\nBa Y Cu Ni O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.968253 Ba\n0.000000 0.000000 0.463324 Y\n0.500000 0.500000 0.237700 Cu\n0.500000 0.500000 0.700494 Ni\n0.000000 0.500000 0.654007 O\n0.500000 0.000000 0.654007 O\n0.000000 0.500000 0.277394 O\n0.500000 0.000000 0.277394 O\n0.500000 0.500000 0.955343 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Ni",
"O"
],
"chemical_system": "Ba-Cu-Ni-O-Y",
"density": 6.329498869736851,
"density_atomic": 0.08006506845541381,
"volume": 112.40857184818208,
"volume_molar": 7.521558247781398,
"formula_full": "Ba1 Y1 Cu1 Ni1 O5",
"formula_reduced": "BaYCuNiO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.7742390855555554,
"spacegroup": 99
},
{
"id": "jvasp-28967",
"created_at": "2022-09-04T14:36:54.246524Z",
"updated_at": "2022-09-04T14:36:54.246544Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.311614 -0.000000 0.000000\n-1.655808 2.867962 0.000332\n0.000000 0.003544 32.512787\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333717 0.667437 0.738437 Te\n0.333873 0.667748 0.619856 Te\n0.666736 0.333473 0.274708 Mo\n0.332412 0.664825 0.078253 W\n0.333672 0.667347 0.470776 W\n0.667100 0.334201 0.679224 W\n0.333337 0.666677 0.326320 Se\n0.333442 0.666888 0.223076 Se\n0.665817 0.331633 0.031050 S\n0.667134 0.334270 0.423526 S\n0.665783 0.331568 0.125498 S\n0.666959 0.333920 0.518025 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.3930074493141795,
"density_atomic": 0.038860998034524266,
"volume": 308.7928927954746,
"volume_molar": 15.496618884182816,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.219946513888889,
"spacegroup": 156
},
{
"id": "jvasp-5212",
"created_at": "2022-09-04T14:36:44.944545Z",
"updated_at": "2022-09-04T14:36:44.944566Z",
"structure_string": "C4 S8 N4 Cl4 O8\n1.0\n5.154250 0.000000 0.000000\n0.000000 7.292745 0.000000\n0.000000 0.000000 13.630166\nC S N Cl O\n4 8 4 4 8\ndirect\n0.435248 0.424509 0.904449 C\n0.935248 0.575492 0.095551 C\n0.435248 0.575492 0.404449 C\n0.935248 0.424509 0.595552 C\n0.647684 0.338592 0.647540 S\n0.147684 0.661409 0.352461 S\n0.647684 0.661409 0.147540 S\n0.147684 0.338592 0.852461 S\n0.939834 0.984852 0.885248 S\n0.439834 0.015149 0.114752 S\n0.939834 0.015149 0.385248 S\n0.439834 0.984852 0.614752 S\n0.643585 0.134470 0.595120 N\n0.143585 0.865530 0.404881 N\n0.643585 0.865530 0.095119 N\n0.143585 0.134470 0.904881 N\n0.987762 0.646829 0.645460 Cl\n0.487762 0.353172 0.354541 Cl\n0.987762 0.353172 0.145460 Cl\n0.487762 0.646829 0.854541 Cl\n0.728829 0.029595 0.816870 O\n0.228829 0.970406 0.183130 O\n0.728829 0.970406 0.316870 O\n0.228829 0.029595 0.683130 O\n0.079659 0.353079 0.538142 O\n0.579659 0.646921 0.461859 O\n0.079659 0.646921 0.038141 O\n0.579659 0.353079 0.961859 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-N-O-S",
"density": 2.0431744286637397,
"density_atomic": 0.05465128508030753,
"volume": 512.3392791012196,
"volume_molar": 11.019211627230254,
"formula_full": "C4 S8 N4 Cl4 O8",
"formula_reduced": "CS2NClO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 3.195107759642857,
"spacegroup": 29
},
{
"id": "jvasp-58337",
"created_at": "2022-09-04T14:37:02.870642Z",
"updated_at": "2022-09-04T14:37:02.870655Z",
"structure_string": "K1 Y2 Ti2 S2 O5\n1.0\n3.715041 -0.000000 0.000000\n0.000000 3.715041 -0.000000\n-0.000000 -0.000000 14.895734\nK Y Ti S O\n1 2 2 2 5\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.739980 Y\n0.500000 0.500000 0.260020 Y\n0.000000 0.000000 0.877809 Ti\n0.000000 0.000000 0.122191 Ti\n0.000000 0.000000 0.352256 S\n0.000000 0.000000 0.647744 S\n0.500000 0.000000 0.831324 O\n0.000000 0.500000 0.831324 O\n0.000000 0.500000 0.168676 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.168676 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"K",
"Y",
"Ti",
"S",
"O"
],
"chemical_system": "K-O-S-Ti-Y",
"density": 3.6894233334878592,
"density_atomic": 0.058370325555266306,
"volume": 205.58391418663814,
"volume_molar": 10.317127243530798,
"formula_full": "K1 Y2 Ti2 S2 O5",
"formula_reduced": "KY2Ti2S2O5",
"formula_anonymous": "AB2C2D2E5",
"energy_above_hull": 2.640819422222222,
"spacegroup": 123
},
{
"id": "jvasp-103814",
"created_at": "2022-09-04T14:36:52.971144Z",
"updated_at": "2022-09-04T14:36:52.971175Z",
"structure_string": "H6 C4 S2 N2 O2\n1.0\n4.167958 0.067750 0.135451\n1.943747 6.206531 0.178332\n-0.101585 -0.242082 6.816741\nH C S N O\n6 4 2 2 2\ndirect\n0.895900 0.967169 0.157218 H\n0.895902 0.467169 0.657214 H\n0.657599 0.869176 0.332894 H\n0.657601 0.369179 0.832893 H\n0.171987 0.777864 0.537813 H\n0.171994 0.277865 0.037810 H\n0.915717 0.852149 0.276744 C\n0.915719 0.352151 0.776743 C\n0.080203 0.124435 0.699983 C\n0.080203 0.624434 0.199982 C\n0.364186 0.933689 0.817170 S\n0.364186 0.433688 0.317168 S\n0.138099 0.890562 0.427996 N\n0.138102 0.390566 0.927992 N\n0.960141 0.098782 0.523448 O\n0.960141 0.598783 0.023447 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.685031646154789,
"density_atomic": 0.0910944057089019,
"volume": 175.64196039797483,
"volume_molar": 6.610878805493437,
"formula_full": "H6 C4 S2 N2 O2",
"formula_reduced": "H3C2SNO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.25771459375,
"spacegroup": 1
},
{
"id": "jvasp-11411",
"created_at": "2022-09-04T14:37:03.906104Z",
"updated_at": "2022-09-04T14:37:03.906133Z",
"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sc-Sr",
"density": 4.767968486418981,
"density_atomic": 0.0644219863145532,
"volume": 217.3171117643316,
"volume_molar": 9.34795883286755,
"formula_full": "Sr3 Sc2 Cu2 S2 O5",
"formula_reduced": "Sr3Sc2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy_above_hull": 1.446281987857143,
"spacegroup": 139
},
{
"id": "jvasp-56688",
"created_at": "2022-09-04T14:37:02.003016Z",
"updated_at": "2022-09-04T14:37:02.003046Z",
"structure_string": "Ag6 Mo2 Cl1 O7 F3\n1.0\n3.731795 -6.463659 -0.000000\n3.731795 6.463659 0.000000\n0.000000 0.000000 5.942608\nAg Mo Cl O F\n6 2 1 7 3\ndirect\n0.821425 0.178574 0.818505 Ag\n0.495107 0.504892 0.262500 Ag\n0.009786 0.504892 0.262500 Ag\n0.357148 0.178574 0.818505 Ag\n0.821425 0.642851 0.818505 Ag\n0.495106 0.990213 0.262500 Ag\n0.333332 0.666666 0.749371 Mo\n0.000000 0.000000 0.322317 Mo\n0.666666 0.333332 0.504144 Cl\n0.078728 0.539364 0.867370 O\n0.247650 0.123824 0.189594 O\n0.460635 0.921270 0.867370 O\n0.876175 0.123824 0.189594 O\n0.876174 0.752349 0.189594 O\n0.460635 0.539363 0.867370 O\n0.333332 0.666666 0.442474 O\n0.117329 0.882670 0.569080 F\n0.117329 0.234660 0.569080 F\n0.765338 0.882669 0.569080 F\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ag",
"Mo",
"Cl",
"O",
"F"
],
"chemical_system": "Ag-Cl-F-Mo-O",
"density": 6.0443844305536825,
"density_atomic": 0.06627508707870361,
"volume": 286.6838934128739,
"volume_molar": 9.086582946090333,
"formula_full": "Ag6 Mo2 Cl1 O7 F3",
"formula_reduced": "Ag6Mo2ClO7F3",
"formula_anonymous": "AB2C3D6E7",
"energy_above_hull": 1.7126944618421054,
"spacegroup": 156
},
{
"id": "jvasp-52817",
"created_at": "2022-09-04T14:36:12.927248Z",
"updated_at": "2022-09-04T14:36:12.927271Z",
"structure_string": "Li1 Al3 Si9 N14 O2\n1.0\n5.709014 -0.000850 -0.003979\n0.016098 7.880025 0.002539\n0.026794 3.904131 6.858375\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.285365 0.333040 0.338636 Li\n0.542050 0.754798 0.166264 Al\n0.842942 0.424011 0.496611 Al\n0.340417 0.575750 0.909247 Al\n0.050688 0.250552 0.921974 Si\n0.331845 0.512185 0.570929 Si\n0.039848 0.915922 0.832491 Si\n0.342055 0.910514 0.514322 Si\n0.540092 0.093526 0.741285 Si\n0.840324 0.083186 0.428631 Si\n0.543086 0.171070 0.082174 Si\n0.851809 0.482505 0.080528 Si\n0.051051 0.832354 0.252880 Si\n0.799132 0.013356 0.676569 N\n0.291845 0.309285 0.019327 N\n0.053332 0.663227 0.954237 N\n0.073010 0.387276 0.672106 N\n0.414995 0.669299 0.653022 N\n0.297785 0.991462 0.685361 N\n0.280218 0.668711 0.320515 N\n0.795690 0.316745 0.000614 N\n0.563741 0.053185 0.342951 N\n0.540924 0.344659 0.587930 N\n0.544149 0.014452 0.987829 N\n0.918543 0.331579 0.324862 N\n0.041931 0.997289 0.003829 N\n0.065429 0.947957 0.393975 N\n0.580750 0.595211 0.059563 O\n0.805741 0.690238 0.314663 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Li-N-O-Si",
"density": 3.061523048029216,
"density_atomic": 0.09400842318179208,
"volume": 308.48299565582795,
"volume_molar": 6.405958696227119,
"formula_full": "Li1 Al3 Si9 N14 O2",
"formula_reduced": "LiAl3Si9(N7O)2",
"formula_anonymous": "AB2C3D9E14",
"energy_above_hull": 4.866287527586207,
"spacegroup": 1
},
{
"id": "jvasp-100468",
"created_at": "2022-09-04T14:36:32.676474Z",
"updated_at": "2022-09-04T14:36:32.676503Z",
"structure_string": "Rb1 Sr1 C1 O3 F1\n1.0\n5.314175 0.000000 0.000000\n-2.657088 4.602211 0.000000\n-0.000000 0.000000 4.799016\nRb Sr C O F\n1 1 1 3 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.000000 0.000000 0.500000 Sr\n0.333332 0.666667 0.500000 C\n0.474485 0.948970 0.500000 O\n0.474485 0.525514 0.500000 O\n0.051029 0.525514 0.500000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 7,
"nelements": 5,
"elements": [
"Rb",
"Sr",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Rb-Sr",
"density": 3.566637170350518,
"density_atomic": 0.05964080051589463,
"volume": 117.36931663307332,
"volume_molar": 10.09735065241967,
"formula_full": "Rb1 Sr1 C1 O3 F1",
"formula_reduced": "RbSrCO3F",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 1.526279584642857,
"spacegroup": 187
}
]
}