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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=715",
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"results": [
{
"id": "jvasp-111516",
"created_at": "2022-09-04T14:38:41.592279Z",
"updated_at": "2022-09-04T14:38:41.592303Z",
"structure_string": "H8 C4 Br4 Cl4\n1.0\n5.892180 0.075061 2.151171\n4.231771 4.100675 2.151171\n0.348319 0.143668 14.450777\nH C Br Cl\n8 4 4 4\ndirect\n0.209371 0.452654 0.528757 H\n0.547346 0.790630 0.971243 H\n0.790628 0.547347 0.471243 H\n0.452653 0.209372 0.028757 H\n0.021423 0.511007 0.659625 H\n0.488993 0.978578 0.840375 H\n0.978576 0.488994 0.340375 H\n0.511006 0.021424 0.159625 H\n0.340642 0.238196 0.107499 C\n0.761804 0.659359 0.392501 C\n0.659357 0.761805 0.892501 C\n0.238196 0.340643 0.607499 C\n0.606247 0.223904 0.632495 Br\n0.776096 0.393754 0.867505 Br\n0.393752 0.776097 0.367505 Br\n0.223903 0.606248 0.132495 Br\n0.316341 -0.009362 0.628712 Cl\n0.009361 0.683660 0.871288 Cl\n0.683659 0.009362 0.371288 Cl\n-0.009362 0.316342 0.128712 Cl\n",
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"spacegroup": 15
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{
"id": "jvasp-111853",
"created_at": "2022-09-04T14:38:41.652173Z",
"updated_at": "2022-09-04T14:38:41.652195Z",
"structure_string": "Sr6 Sc4 N8\n1.0\n7.285911 0.183323 -0.272547\n-6.010927 6.992506 -0.000001\n0.017314 0.014884 6.103301\nSr Sc N\n6 4 8\ndirect\n0.227906 0.973865 0.059777 Sr\n0.772093 0.745959 0.440222 Sr\n0.772093 0.026135 0.940222 Sr\n0.227905 0.254040 0.559777 Sr\n-0.000001 0.608473 0.750000 Sr\n-0.000000 0.391527 0.250000 Sr\n0.589257 0.410920 0.092581 Sc\n0.410742 0.821662 0.407419 Sc\n0.589256 0.178338 0.592581 Sc\n0.410742 0.589080 0.907418 Sc\n0.327761 0.739479 0.074460 N\n0.236744 0.934551 0.514107 N\n0.763254 0.697806 0.985892 N\n0.763255 0.065449 0.485892 N\n0.236744 0.302194 0.014107 N\n0.672238 0.260521 0.925540 N\n0.327760 0.588282 0.574460 N\n0.672238 0.411718 0.425540 N\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.05665252136049855,
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"volume_molar": 10.629960706742681,
"formula_full": "Sr6 Sc4 N8",
"formula_reduced": "Sr3Sc2N4",
"formula_anonymous": "A2B3C4",
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"spacegroup": 15
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{
"id": "jvasp-112514",
"created_at": "2022-09-04T14:38:41.689722Z",
"updated_at": "2022-09-04T14:38:41.689758Z",
"structure_string": "Li4 Ce2 O6\n1.0\n5.603880 -0.265636 0.858997\n-3.228167 4.588352 0.858997\n-0.249476 -0.453932 5.586877\nLi Ce O\n4 2 6\ndirect\n0.786928 0.213071 0.750001 Li\n0.422783 0.577216 0.750001 Li\n0.213070 0.786928 0.250001 Li\n0.577215 0.422783 0.250001 Li\n0.101435 0.898564 0.750001 Ce\n0.898563 0.101436 0.250001 Ce\n0.842125 0.695552 0.469032 O\n0.695551 0.842126 -0.030969 O\n-0.000000 0.500000 0.000000 O\n0.304447 0.157873 0.030970 O\n0.500000 -0.000000 0.500001 O\n0.157873 0.304448 0.530970 O\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.08371341756934293,
"volume": 143.3461964452706,
"volume_molar": 7.193758103366927,
"formula_full": "Li4 Ce2 O6",
"formula_reduced": "Li2CeO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-112601",
"created_at": "2022-09-04T14:38:41.692268Z",
"updated_at": "2022-09-04T14:38:41.692288Z",
"structure_string": "Ca2 Al2 Si2 O10\n1.0\n5.252067 -0.002593 1.227906\n-1.901257 4.895860 1.227906\n0.020643 0.030146 6.975509\nCa Al Si O\n2 2 2 10\ndirect\n0.673158 0.326843 0.750001 Ca\n0.326842 0.673158 0.250001 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.316054 0.683947 0.750001 Si\n0.683946 0.316055 0.250001 Si\n0.938195 0.061807 0.750000 O\n0.061805 0.938195 0.250001 O\n0.307131 0.884321 0.893776 O\n0.692869 0.115681 0.106225 O\n0.115680 0.692869 0.606225 O\n0.884320 0.307132 0.393776 O\n0.632136 0.757262 0.600988 O\n0.367864 0.242740 0.399013 O\n0.242739 0.367865 0.899013 O\n0.757261 0.632137 0.100988 O\n",
"nsites": 16,
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"elements": [
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"volume": 178.9406026870711,
"volume_molar": 6.7350343566298525,
"formula_full": "Ca2 Al2 Si2 O10",
"formula_reduced": "CaAlSiO5",
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{
"id": "jvasp-111861",
"created_at": "2022-09-04T14:38:41.819405Z",
"updated_at": "2022-09-04T14:38:41.819440Z",
"structure_string": "Mg2 Si4 Sn2 O12\n1.0\n7.023279 0.039976 1.793536\n0.282321 7.017716 1.793536\n-0.020151 -0.019467 5.494416\nMg Si Sn O\n2 4 2 12\ndirect\n0.703561 0.296440 0.250001 Mg\n0.296440 0.703561 0.750001 Mg\n0.826696 0.635822 0.782182 Si\n0.364179 0.173304 0.717821 Si\n0.635821 0.826697 0.282181 Si\n0.173304 0.364179 0.217820 Si\n0.851112 0.148888 0.750001 Sn\n0.148888 0.851113 0.250001 Sn\n0.947787 0.330438 0.327387 O\n0.669563 0.052213 0.172614 O\n0.411993 0.772639 0.380332 O\n0.227362 0.588007 0.119670 O\n0.588007 0.227362 0.619670 O\n0.259793 0.282784 0.951594 O\n0.740208 0.717217 0.048408 O\n0.282784 0.259793 0.451594 O\n0.052213 0.669563 0.672615 O\n0.717216 0.740208 0.548408 O\n0.772638 0.411993 0.880332 O\n0.330437 0.947787 0.827388 O\n",
"nsites": 20,
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"density_atomic": 0.07373791385581553,
"volume": 271.23088997482733,
"volume_molar": 8.166952989442414,
"formula_full": "Mg2 Si4 Sn2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 15
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{
"id": "jvasp-111960",
"created_at": "2022-09-04T14:38:41.973861Z",
"updated_at": "2022-09-04T14:38:41.973886Z",
"structure_string": "V4 Fe2 O12\n1.0\n6.474195 -0.068498 -1.752636\n-0.225593 6.470851 1.751486\n-0.007588 0.008305 5.770446\nV Fe O\n4 2 12\ndirect\n0.203261 0.609396 0.760721 V\n0.390606 0.796742 0.260727 V\n0.609395 0.203261 0.739273 V\n0.796735 0.390601 0.239279 V\n0.084251 0.084249 0.750008 Fe\n0.915747 0.915751 0.249993 Fe\n0.807117 0.032062 0.859140 O\n0.622809 0.344090 0.436219 O\n0.628036 0.914627 0.270456 O\n0.655906 0.377188 0.936221 O\n0.344097 0.622806 0.063783 O\n0.192878 0.967940 0.140858 O\n0.377195 0.655906 0.563785 O\n0.914626 0.628030 0.229556 O\n0.085372 0.371963 0.770445 O\n0.032063 0.807125 0.640862 O\n0.371969 0.085374 0.729545 O\n0.967932 0.192878 0.359137 O\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.07454055993723868,
"volume": 241.47927001293735,
"volume_molar": 8.079011970221977,
"formula_full": "V4 Fe2 O12",
"formula_reduced": "V2FeO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
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{
"id": "jvasp-112770",
"created_at": "2022-09-04T14:38:42.274749Z",
"updated_at": "2022-09-04T14:38:42.274783Z",
"structure_string": "V4 Zn4 O14\n1.0\n5.415817 -0.107889 1.388965\n-0.957174 5.331653 1.388965\n-0.028389 -0.033260 10.194715\nV Zn O\n4 4 14\ndirect\n0.498010 0.001816 0.705103 V\n-0.001816 0.501990 0.794896 V\n0.501990 -0.001817 0.294897 V\n0.001817 0.498010 0.205104 V\n0.612948 0.756856 0.018699 Zn\n0.243143 0.387053 0.481302 Zn\n0.387053 0.243143 0.981302 Zn\n0.756858 0.612947 0.518698 Zn\n0.437551 0.980653 0.138773 O\n0.019347 0.562449 0.361228 O\n0.198370 0.801630 0.750000 O\n0.801631 0.198370 0.250000 O\n0.296627 0.482662 0.106862 O\n0.517338 0.703373 0.393139 O\n0.283570 0.118713 0.390796 O\n0.482663 0.296626 0.606861 O\n0.881288 0.716429 0.109205 O\n0.980654 0.437550 0.638773 O\n0.118713 0.283570 0.890796 O\n0.716431 0.881286 0.609204 O\n0.703374 0.517337 0.893139 O\n0.562450 0.019347 0.861227 O\n",
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"volume": 293.8311230944315,
"volume_molar": 8.04314719519797,
"formula_full": "V4 Zn4 O14",
"formula_reduced": "V2Zn2O7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 15
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{
"id": "jvasp-112535",
"created_at": "2022-09-04T14:38:42.106061Z",
"updated_at": "2022-09-04T14:38:42.106073Z",
"structure_string": "Rb4 S4 N2 O12\n1.0\n7.311946 0.099435 0.483811\n3.464633 6.439780 0.483811\n0.027724 0.016823 7.599310\nRb S N O\n4 4 2 12\ndirect\n0.294663 -0.009084 0.150538 Rb\n0.009084 0.705337 0.349462 Rb\n0.705337 0.009085 0.849462 Rb\n-0.009085 0.294663 0.650538 Rb\n0.778331 0.425681 0.142676 S\n0.574320 0.221669 0.357324 S\n0.221669 0.574319 0.857324 S\n0.425680 0.778331 0.642676 S\n0.562128 0.437872 0.250000 N\n0.437871 0.562128 0.750000 N\n0.631981 0.066610 0.222103 O\n0.933391 0.368020 0.277897 O\n0.637303 0.704783 0.567640 O\n0.295217 0.362696 0.932360 O\n0.362696 0.295218 0.432360 O\n0.848307 0.265770 0.010228 O\n0.265769 0.848307 0.510228 O\n0.151693 0.734230 -0.010228 O\n0.734230 0.151693 0.489772 O\n0.066609 0.631980 0.722103 O\n0.704782 0.637304 0.067640 O\n0.368019 0.933391 0.777897 O\n",
"nsites": 22,
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"elements": [
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"formula_full": "Rb4 S4 N2 O12",
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"spacegroup": 15
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{
"id": "jvasp-112559",
"created_at": "2022-09-04T14:38:42.182878Z",
"updated_at": "2022-09-04T14:38:42.182906Z",
"structure_string": "Th2 B8 O16\n1.0\n7.645317 -0.005614 3.378387\n6.482821 4.052645 3.378387\n-0.016916 -0.004846 7.326590\nTh B O\n2 8 16\ndirect\n0.192642 0.807357 0.750001 Th\n0.807357 0.192644 0.250000 Th\n0.452724 0.829556 0.008693 B\n0.547275 0.170445 0.991307 B\n0.829554 0.452726 0.508693 B\n0.170445 0.547276 0.491307 B\n0.000437 0.607650 0.203539 B\n0.607649 0.000437 0.703539 B\n0.999562 0.392351 0.796462 B\n0.392349 0.999564 0.296462 B\n0.935447 0.329215 0.703782 O\n0.708725 0.187468 0.986911 O\n0.812532 0.291275 0.513090 O\n0.329213 0.935448 0.203782 O\n0.064552 0.670786 0.296219 O\n0.670785 0.064553 0.796219 O\n0.506509 0.808332 0.491053 O\n0.070589 0.361724 0.332804 O\n0.493490 0.191669 0.508948 O\n0.808330 0.506510 0.991053 O\n0.638275 0.929412 0.167197 O\n0.187467 0.708726 0.486911 O\n0.361724 0.070589 0.832804 O\n0.929410 0.638277 0.667197 O\n0.191668 0.493491 0.008948 O\n0.291274 0.812533 0.013090 O\n",
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"spacegroup": 15
},
{
"id": "jvasp-112759",
"created_at": "2022-09-04T14:38:42.205494Z",
"updated_at": "2022-09-04T14:38:42.205522Z",
"structure_string": "V6 O12\n1.0\n5.562400 -0.002880 -0.073041\n0.075505 6.051406 -0.720990\n-0.001767 0.047765 6.094463\nV O\n6 12\ndirect\n-0.000001 0.006555 0.006553 V\n0.774050 0.066931 0.565993 V\n0.225946 0.565997 0.066929 V\n0.500000 0.487035 0.487036 V\n0.725929 0.426726 0.927578 V\n0.274073 0.927576 0.426730 V\n0.059847 0.962580 0.672388 O\n0.601722 0.469697 0.200964 O\n0.398285 0.200960 0.469700 O\n0.940149 0.672392 0.962577 O\n0.440140 0.531064 0.821203 O\n0.197729 0.604946 0.374562 O\n0.697752 0.119100 0.888629 O\n0.559860 0.821200 0.531066 O\n0.802272 0.374563 0.604947 O\n0.302243 0.888633 0.119103 O\n0.898197 0.023936 0.292609 O\n0.101795 0.292613 0.023932 O\n",
"nsites": 18,
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"elements": [
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"volume": 205.3335367515594,
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"formula_full": "V6 O12",
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"spacegroup": 15
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{
"id": "jvasp-112584",
"created_at": "2022-09-04T14:38:42.214852Z",
"updated_at": "2022-09-04T14:38:42.214868Z",
"structure_string": "K2 Tm2 Mo4 O16\n1.0\n6.455589 -0.012250 3.492655\n-1.558011 6.264773 3.492655\n-0.022736 -0.029026 7.663853\nK Tm Mo O\n2 2 4 16\ndirect\n0.196194 0.803805 0.750000 K\n0.803806 0.196194 0.250000 K\n0.770053 0.229946 0.750000 Tm\n0.229947 0.770053 0.250000 Tm\n0.694651 0.700515 0.758042 Mo\n0.305348 0.299483 0.241958 Mo\n0.299483 0.305348 0.741958 Mo\n0.700516 0.694651 0.258042 Mo\n0.200565 0.044828 0.309146 O\n0.799434 0.955171 0.690854 O\n0.365179 0.583991 0.469872 O\n0.634820 0.416008 0.530127 O\n0.416008 0.634820 0.030127 O\n0.583991 0.365179 0.969872 O\n0.069474 0.387101 0.378534 O\n0.776098 0.608418 0.059813 O\n0.612899 0.930525 0.121465 O\n0.387100 0.069474 0.878534 O\n0.044828 0.200565 0.809146 O\n0.223902 0.391580 0.940186 O\n0.391581 0.223902 0.440186 O\n0.608418 0.776097 0.559814 O\n0.930525 0.612898 0.621465 O\n0.955171 0.799434 0.190853 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.635338119224389,
"density_atomic": 0.07714257341509356,
"volume": 311.11225536720565,
"volume_molar": 7.806507474926574,
"formula_full": "K2 Tm2 Mo4 O16",
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{
"id": "jvasp-116594",
"created_at": "2022-09-04T14:38:42.438881Z",
"updated_at": "2022-09-04T14:38:42.438919Z",
"structure_string": "Rb2 Tb2 W4 O16\n1.0\n6.644856 -0.057339 3.518036\n-1.641615 6.439138 3.518036\n-0.045114 -0.057544 7.573738\nTb Rb W O\n2 2 4 16\ndirect\n0.772171 0.227831 0.750000 Tb\n0.227830 0.772170 0.250000 Tb\n0.199575 0.800426 0.750000 Rb\n0.800426 0.199574 0.250000 Rb\n0.698238 0.693106 0.769799 W\n0.301763 0.306895 0.230201 W\n0.306895 0.301763 0.730201 W\n0.693105 0.698238 0.269799 W\n0.207048 0.046440 0.308810 O\n0.792952 0.953561 0.691190 O\n0.368308 0.585259 0.471060 O\n0.631693 0.414742 0.528941 O\n0.414741 0.631693 0.028941 O\n0.585259 0.368308 0.971060 O\n0.065837 0.384695 0.371347 O\n0.759726 0.618770 0.058791 O\n0.615305 0.934164 0.128654 O\n0.384695 0.065837 0.871347 O\n0.046440 0.207049 0.808810 O\n0.240275 0.381231 0.941210 O\n0.381230 0.240275 0.441210 O\n0.618770 0.759726 0.558791 O\n0.934164 0.615306 0.628654 O\n0.953561 0.792952 0.191191 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "O-Rb-Tb-W",
"density": 7.538083856635761,
"density_atomic": 0.07360736676989128,
"volume": 326.05432109842945,
"volume_molar": 8.181437571087416,
"formula_full": "Rb2 Tb2 W4 O16",
"formula_reduced": "RbTb(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.3916872,
"spacegroup": 15
}
]
}