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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=136",
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"results": [
{
"id": "jvasp-54838",
"created_at": "2022-09-04T14:37:43.846302Z",
"updated_at": "2022-09-04T14:37:43.846321Z",
"structure_string": "Sr6 Ga6 N10\n1.0\n5.992450 0.017825 -0.006112\n-0.667785 7.193823 0.006614\n-2.083257 -2.952078 7.952091\nSr Ga N\n6 6 10\ndirect\n0.668093 0.862946 0.873061 Sr\n0.331907 0.137054 0.126938 Sr\n0.183157 0.591191 0.392169 Sr\n0.655501 0.653893 0.201394 Sr\n0.344499 0.346107 0.798605 Sr\n0.816844 0.408809 0.607831 Sr\n0.124726 0.876828 0.716951 Ga\n0.875275 0.123172 0.283049 Ga\n0.908041 0.315486 0.972715 Ga\n0.289840 0.046712 0.432874 Ga\n0.710160 0.953288 0.567125 Ga\n0.091959 0.684514 0.027285 Ga\n0.234994 0.472106 0.095515 N\n0.611487 0.052113 0.380019 N\n0.739102 0.225063 0.107859 N\n0.042834 0.891003 0.223241 N\n0.159173 0.289943 0.474832 N\n0.957167 0.108997 0.776758 N\n0.260899 0.774937 0.892141 N\n0.388514 0.947886 0.619981 N\n0.765006 0.527894 0.904485 N\n0.840828 0.710057 0.525168 N\n",
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"elements": [
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"volume": 342.9114722031209,
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"formula_full": "Sr6 Ga6 N10",
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"formula_anonymous": "A3B3C5",
"energy_above_hull": 2.436551105,
"spacegroup": 2
},
{
"id": "jvasp-32143",
"created_at": "2022-09-04T14:37:44.249295Z",
"updated_at": "2022-09-04T14:37:44.249328Z",
"structure_string": "P4 S14\n1.0\n6.056772 0.004695 -0.065431\n0.544201 6.464094 -0.020974\n0.035501 1.386072 10.967730\nP S\n4 14\ndirect\n0.055123 0.172747 0.065473 P\n0.630717 0.798968 0.495050 P\n0.369283 0.201031 0.504951 P\n0.944876 0.827252 0.934528 P\n0.149000 0.769472 0.783905 S\n0.374390 0.990684 0.788761 S\n0.241462 0.253658 0.678602 S\n0.726249 0.563637 0.613729 S\n0.717487 0.099694 0.530679 S\n0.282512 0.900306 0.469321 S\n0.758537 0.746341 0.321398 S\n0.841950 0.153882 0.911202 S\n0.625609 0.009315 0.211240 S\n0.850999 0.230527 0.216095 S\n0.158050 0.846118 0.088799 S\n0.284841 0.364535 0.049412 S\n0.273750 0.436363 0.386271 S\n0.715159 0.635465 0.950589 S\n",
"nsites": 18,
"nelements": 2,
"elements": [
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"chemical_system": "P-S",
"density": 2.214498045551574,
"density_atomic": 0.04190751144671687,
"volume": 429.51727216935853,
"volume_molar": 14.370074843639488,
"formula_full": "P4 S14",
"formula_reduced": "P2S7",
"formula_anonymous": "A2B7",
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"spacegroup": 2
},
{
"id": "jvasp-57362",
"created_at": "2022-09-04T14:37:44.293704Z",
"updated_at": "2022-09-04T14:37:44.293728Z",
"structure_string": "Li2 Ga2 Mo4 O16\n1.0\n6.765386 -0.037497 0.035397\n-1.851125 6.912893 0.005432\n-2.572342 -0.813642 6.763288\nLi Ga Mo O\n2 2 4 16\ndirect\n0.227977 0.552478 0.748058 Li\n0.772025 0.447522 0.251943 Li\n0.401528 0.099438 0.318931 Ga\n0.598474 0.900561 0.681069 Ga\n0.822239 0.963956 0.220413 Mo\n0.177763 0.036043 0.779587 Mo\n0.668798 0.425140 0.711419 Mo\n0.331204 0.574859 0.288581 Mo\n0.314645 0.869079 0.728730 O\n0.908946 0.519146 0.667928 O\n0.091055 0.480854 0.332072 O\n0.885956 0.950489 0.645900 O\n0.519155 0.617204 0.651401 O\n0.114047 0.049511 0.354101 O\n0.480847 0.382796 0.348599 O\n0.685356 0.130921 0.271270 O\n0.284380 0.276083 0.738946 O\n0.582579 0.159164 0.613919 O\n0.417423 0.840836 0.386081 O\n0.251849 0.572150 0.036915 O\n0.765448 0.957231 0.963152 O\n0.234553 0.042769 0.036848 O\n0.715621 0.723915 0.261055 O\n0.748153 0.427850 0.963085 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ga",
"Mo",
"O"
],
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"density": 4.160259394127857,
"density_atomic": 0.07581697147179887,
"volume": 316.55181596019196,
"volume_molar": 7.94299830644121,
"formula_full": "Li2 Ga2 Mo4 O16",
"formula_reduced": "LiGa(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0241101770833336,
"spacegroup": 2
},
{
"id": "jvasp-40367",
"created_at": "2022-09-04T14:37:44.955610Z",
"updated_at": "2022-09-04T14:37:44.955639Z",
"structure_string": "K4 P2 Pd1 S8\n1.0\n6.338644 0.003006 -0.000162\n0.645506 6.834620 -0.048477\n1.199241 0.185735 8.897435\nK P Pd S\n4 2 1 8\ndirect\n0.294953 0.336582 0.141494 K\n0.751726 0.213116 0.469489 K\n0.248274 0.786885 0.530512 K\n0.705046 0.663419 0.858506 K\n0.825699 0.727062 0.263269 P\n0.174300 0.272940 0.736732 P\n0.000000 0.000000 0.000000 Pd\n0.669367 0.957845 0.149607 S\n0.780004 0.466315 0.178688 S\n0.137310 0.806694 0.193226 S\n0.754802 0.736854 0.490739 S\n0.245197 0.263147 0.509262 S\n0.862689 0.193307 0.806774 S\n0.219996 0.533686 0.821312 S\n0.330632 0.042157 0.850394 S\n",
"nsites": 15,
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"elements": [
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"S"
],
"chemical_system": "K-P-Pd-S",
"density": 2.503878981069988,
"density_atomic": 0.038910747559606995,
"volume": 385.4976051802049,
"volume_molar": 15.476805606920664,
"formula_full": "K4 P2 Pd1 S8",
"formula_reduced": "K4P2PdS8",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 1.5172105800000002,
"spacegroup": 2
},
{
"id": "jvasp-20813",
"created_at": "2022-09-04T14:37:45.019762Z",
"updated_at": "2022-09-04T14:37:45.019770Z",
"structure_string": "Mn4 Al11\n1.0\n5.048968 -0.000142 -0.001957\n-0.916518 4.972802 -0.000774\n-0.015946 -2.362397 8.449165\nMn Al\n4 11\ndirect\n0.283804 0.150971 0.599901 Mn\n0.716195 0.849028 0.400100 Mn\n0.665919 0.611925 0.866929 Mn\n0.334080 0.388075 0.133072 Mn\n0.000000 0.000000 0.000000 Al\n0.949759 0.815834 0.673165 Al\n0.050240 0.184166 0.326836 Al\n0.797194 0.264822 0.632980 Al\n0.844110 0.531747 0.127193 Al\n0.155889 0.468253 0.872807 Al\n0.494881 0.890082 0.124243 Al\n0.505118 0.109918 0.875758 Al\n0.565249 0.327054 0.373530 Al\n0.434750 0.672946 0.626470 Al\n0.202805 0.735178 0.367021 Al\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Mn",
"Al"
],
"chemical_system": "Al-Mn",
"density": 4.043647394807736,
"density_atomic": 0.07071374314726131,
"volume": 212.12283966869796,
"volume_molar": 8.51622399263874,
"formula_full": "Mn4 Al11",
"formula_reduced": "Mn4Al11",
"formula_anonymous": "A4B11",
"energy_above_hull": 2.923601317701149,
"spacegroup": 2
},
{
"id": "jvasp-57368",
"created_at": "2022-09-04T14:37:44.668906Z",
"updated_at": "2022-09-04T14:37:44.668922Z",
"structure_string": "Rb2 V2 I4 O16\n1.0\n5.280945 -0.019132 0.017521\n-0.213204 7.983138 0.148368\n-0.158454 -3.077539 9.135620\nRb V I O\n2 2 4 16\ndirect\n0.265599 0.807130 0.081041 Rb\n0.734403 0.192870 0.918959 Rb\n0.764538 0.637302 0.302252 V\n0.235465 0.362698 0.697749 V\n0.682620 0.145820 0.438784 I\n0.742899 0.630691 0.767929 I\n0.257103 0.369310 0.232071 I\n0.317382 0.854180 0.561216 I\n0.921956 0.652501 0.456770 O\n0.996125 0.502824 0.830006 O\n0.485795 0.522888 0.845168 O\n0.803879 0.827634 0.267399 O\n0.570132 0.329877 0.599124 O\n0.781539 0.827342 0.919059 O\n0.630873 0.963561 0.614165 O\n0.218463 0.172658 0.080942 O\n0.429870 0.670123 0.400876 O\n0.514207 0.477113 0.154832 O\n0.680879 0.263293 0.300949 O\n0.078046 0.347499 0.543230 O\n0.369129 0.036440 0.385835 O\n0.319123 0.736708 0.699052 O\n0.003877 0.497176 0.169994 O\n0.196123 0.172367 0.732601 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"V",
"I",
"O"
],
"chemical_system": "I-O-Rb-V",
"density": 4.440761244091991,
"density_atomic": 0.06192712246764528,
"volume": 387.5523202703169,
"volume_molar": 9.724560935551875,
"formula_full": "Rb2 V2 I4 O16",
"formula_reduced": "RbV(IO4)2",
"formula_anonymous": "ABC2D8",
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"spacegroup": 2
},
{
"id": "jvasp-57369",
"created_at": "2022-09-04T14:37:44.688597Z",
"updated_at": "2022-09-04T14:37:44.688623Z",
"structure_string": "Sr1 Fe2 P4 O14\n1.0\n4.828613 0.035114 -0.018940\n-2.143114 -6.863304 -0.012825\n-0.327079 0.031678 -7.866658\nSr Fe P O\n1 2 4 14\ndirect\n0.500000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.116399 0.229210 0.702165 P\n0.456966 0.378506 0.245126 P\n0.883601 0.770789 0.297835 P\n0.543034 0.621494 0.754875 P\n0.317066 0.446309 0.651996 O\n0.595302 0.808467 0.653511 O\n0.682933 0.553691 0.348005 O\n0.313007 0.096359 0.709798 O\n0.605064 0.353451 0.079302 O\n0.879827 0.183360 0.564135 O\n0.177300 0.429741 0.209751 O\n0.997297 0.762237 0.116763 O\n0.120173 0.816639 0.435866 O\n0.404698 0.191532 0.346490 O\n0.686993 0.903641 0.290202 O\n0.002703 0.237762 0.883238 O\n0.394936 0.646549 0.920699 O\n0.822700 0.570259 0.790250 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Sr",
"density": 3.4926676962403813,
"density_atomic": 0.08072053587225125,
"volume": 260.1568457527922,
"volume_molar": 7.460481641909157,
"formula_full": "Sr1 Fe2 P4 O14",
"formula_reduced": "SrFe2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy_above_hull": 3.030216586190476,
"spacegroup": 2
},
{
"id": "jvasp-25665",
"created_at": "2022-09-04T14:37:45.132958Z",
"updated_at": "2022-09-04T14:37:45.132978Z",
"structure_string": "Sm12 Si8 S34\n1.0\n8.907733 -0.004853 -0.043531\n0.169107 9.796088 0.012166\n0.586434 1.952516 13.968434\nSm Si S\n12 8 34\ndirect\n0.911237 0.920481 0.834978 Sm\n0.663262 0.589420 0.658484 Sm\n0.088762 0.079520 0.165022 Sm\n0.008271 0.763203 0.468647 Sm\n0.360759 0.058774 0.678140 Sm\n0.450068 0.738333 0.002098 Sm\n0.103978 0.385843 0.813011 Sm\n0.639240 0.941227 0.321860 Sm\n0.991729 0.236798 0.531353 Sm\n0.549932 0.261667 0.997902 Sm\n0.896021 0.614158 0.186989 Sm\n0.336737 0.410581 0.341516 Sm\n0.281699 0.053112 0.391431 Si\n0.752469 0.940611 0.078725 Si\n0.747804 0.495076 0.416876 Si\n0.252196 0.504925 0.583124 Si\n0.232241 0.440130 0.098653 Si\n0.247530 0.059390 0.921275 Si\n0.767758 0.559871 0.901347 Si\n0.718300 0.946889 0.608569 Si\n0.304247 0.307170 0.541878 S\n0.941872 0.857214 0.282302 S\n0.035903 0.151583 0.950776 S\n0.621694 0.784204 0.164269 S\n0.964096 0.848417 0.049224 S\n0.251381 0.618381 0.170017 S\n0.014163 0.495174 0.620595 S\n0.253630 0.878364 0.850164 S\n0.378305 0.215797 0.835731 S\n0.320839 0.912981 0.292904 S\n0.889479 0.797950 0.659198 S\n0.354115 0.539748 0.709583 S\n0.182954 0.976315 0.530050 S\n0.678142 0.515925 0.045608 S\n0.628314 0.720999 0.833359 S\n0.511116 0.846633 0.599768 S\n0.008171 0.374226 0.114531 S\n0.371686 0.279002 0.166641 S\n0.488883 0.153368 0.400232 S\n0.695753 0.692830 0.458122 S\n0.696762 0.361029 0.543832 S\n0.657627 -0.000225 0.942790 S\n0.991829 0.625775 0.885469 S\n0.110521 0.202051 0.340802 S\n0.746370 0.121637 0.149836 S\n0.058127 0.142787 0.717698 S\n0.645884 0.460253 0.290417 S\n0.342372 0.000226 0.057210 S\n0.321858 0.484076 0.954392 S\n0.817045 0.023685 0.469950 S\n0.679160 0.087020 0.707096 S\n0.748619 0.381620 0.829983 S\n0.985836 0.504827 0.379405 S\n0.303237 0.638972 0.456168 S\n",
"nsites": 54,
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"elements": [
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],
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"density": 4.24926698867102,
"density_atomic": 0.04430099803469203,
"volume": 1218.9341639146076,
"volume_molar": 13.593690948642,
"formula_full": "Sm12 Si8 S34",
"formula_reduced": "Sm6Si4S17",
"formula_anonymous": "A4B6C17",
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"spacegroup": 2
},
{
"id": "jvasp-54474",
"created_at": "2022-09-04T14:37:46.157111Z",
"updated_at": "2022-09-04T14:37:46.157122Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053386 0.011524 0.005820\n-2.375638 5.625630 -0.022274\n-0.185695 -2.294140 5.734487\nCu Bi W O\n1 1 2 8\ndirect\n0.861250 0.901091 0.788304 Cu\n0.361617 0.901345 0.288719 Bi\n0.116876 0.422746 0.620739 W\n0.606262 0.379907 0.956672 W\n0.329941 0.211284 0.626137 O\n0.823776 0.198553 0.810930 O\n0.361689 0.648599 0.512166 O\n0.857401 0.628456 0.217826 O\n0.865908 0.174283 0.359497 O\n0.393119 0.591327 0.951339 O\n0.899271 0.604044 0.766357 O\n0.361684 0.154164 0.065420 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Bi",
"W",
"O"
],
"chemical_system": "Bi-Cu-O-W",
"density": 7.827895006419124,
"density_atomic": 0.07363799127642726,
"volume": 162.9593609493446,
"volume_molar": 8.178035081638338,
"formula_full": "Cu1 Bi1 W2 O8",
"formula_reduced": "CuBi(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.456130229166667,
"spacegroup": 2
},
{
"id": "jvasp-25015",
"created_at": "2022-09-04T14:37:46.713828Z",
"updated_at": "2022-09-04T14:37:46.713846Z",
"structure_string": "K4 Sn1 Sb2 F14\n1.0\n6.714871 -0.004058 -0.019419\n-3.202407 6.730780 -0.022452\n-0.210850 -0.473142 7.588216\nK Sn Sb F\n4 1 2 14\ndirect\n0.282538 0.553201 0.145083 K\n0.851913 0.730206 0.413268 K\n0.717461 0.446799 0.854918 K\n0.148087 0.269794 0.586733 K\n0.000000 0.000000 0.000000 Sn\n0.402764 0.817168 0.688530 Sb\n0.597235 0.182832 0.311470 Sb\n0.594710 0.426306 0.181543 F\n0.405290 0.573695 0.818457 F\n0.154751 0.142404 0.229612 F\n0.080186 0.626961 0.672128 F\n0.845248 0.857596 0.770389 F\n0.052630 0.764432 0.063378 F\n0.714551 0.886792 0.122511 F\n0.947370 0.235568 0.936623 F\n0.721362 0.057083 0.509819 F\n0.429082 0.657517 0.480987 F\n0.285449 0.113208 0.877490 F\n0.919813 0.373039 0.327873 F\n0.278638 0.942917 0.490182 F\n0.570918 0.342483 0.519014 F\n",
"nsites": 21,
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],
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"density": 3.801391456598713,
"density_atomic": 0.061272277043514456,
"volume": 342.73248870914625,
"volume_molar": 9.828491857293283,
"formula_full": "K4 Sn1 Sb2 F14",
"formula_reduced": "K4SnSb2F14",
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"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-40542",
"created_at": "2022-09-04T14:37:47.390705Z",
"updated_at": "2022-09-04T14:37:47.390727Z",
"structure_string": "Rb2 Ta2 Ge2 S10\n1.0\n7.034489 0.024766 -0.045809\n1.795286 6.777878 -0.109876\n1.810642 2.664292 8.394517\nRb Ta Ge S\n2 2 2 10\ndirect\n0.582628 0.374073 0.314598 Rb\n0.417372 0.625928 0.685402 Rb\n0.239589 0.031811 0.005318 Ta\n0.760411 0.968190 0.994682 Ta\n0.979119 0.709439 0.378544 Ge\n0.020882 0.290562 0.621456 Ge\n0.070215 0.748192 -0.000127 S\n0.435681 0.238593 0.029582 S\n0.690335 0.882276 0.293755 S\n0.226976 0.873938 0.298841 S\n0.066183 0.384423 0.351098 S\n0.933817 0.615577 0.648902 S\n0.773024 0.126063 0.701159 S\n0.309665 0.117725 0.706245 S\n0.564319 0.761408 0.970418 S\n0.929786 0.251809 0.000127 S\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.122853797544845,
"density_atomic": 0.03977471601071274,
"volume": 402.2655999779014,
"volume_molar": 15.140625412329845,
"formula_full": "Rb2 Ta2 Ge2 S10",
"formula_reduced": "RbTaGeS5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-25574",
"created_at": "2022-09-04T14:37:47.137572Z",
"updated_at": "2022-09-04T14:37:47.137601Z",
"structure_string": "Rb4 Cu1 Si2 O7\n1.0\n7.097849 0.388463 -0.345999\n-2.225713 5.875415 -0.281997\n-1.793943 -3.455769 6.444650\nRb Cu Si O\n4 1 2 7\ndirect\n0.638617 0.404170 0.724611 Rb\n0.361383 0.595828 0.275388 Rb\n0.767351 0.288187 0.224250 Rb\n0.232649 0.711811 0.775749 Rb\n0.000000 -0.000000 0.500000 Cu\n0.146505 0.005566 0.224050 Si\n-0.146504 -0.005566 0.775950 Si\n0.383091 0.030927 0.237324 O\n0.168065 0.250887 0.436520 O\n0.831936 0.749111 0.563479 O\n0.008916 0.247761 0.771892 O\n-0.008916 0.752238 0.228107 O\n0.616909 -0.030928 0.762676 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-O-Rb-Si",
"density": 3.6450284036381286,
"density_atomic": 0.05357754710711897,
"volume": 261.303489165143,
"volume_molar": 11.240045663083043,
"formula_full": "Rb4 Cu1 Si2 O7",
"formula_reduced": "Rb4CuSi2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 1.5183408678571428,
"spacegroup": 2
}
]
}