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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3831",
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"results": [
{
"id": "jvasp-42495",
"created_at": "2022-09-04T14:36:56.464199Z",
"updated_at": "2022-09-04T14:36:56.464216Z",
"structure_string": "Na4 Fe2 O4\n1.0\n2.818015 -0.000000 -0.000000\n-1.409007 5.135225 0.000000\n0.000000 -0.000000 8.478069\nNa Fe O\n4 2 4\ndirect\n0.147733 0.295467 0.670787 Na\n0.393611 0.787226 0.844463 Na\n0.852264 0.704534 0.170787 Na\n0.606386 0.212775 0.344463 Na\n0.121591 0.243183 0.003992 Fe\n0.878407 0.756818 0.503992 Fe\n0.279807 0.559618 0.408417 O\n0.482311 0.964625 0.587231 O\n0.720190 0.440383 0.908417 O\n0.517686 0.035376 0.087231 O\n",
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{
"id": "jvasp-29312",
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"updated_at": "2022-09-04T14:36:59.001301Z",
"structure_string": "Pb6 Se2 O10\n1.0\n5.819208 0.000000 0.000000\n0.000000 7.593062 -0.088566\n0.000000 0.049356 7.593417\nPb Se O\n6 2 10\ndirect\n0.187437 0.882313 0.117686 Pb\n0.687437 0.117687 0.882314 Pb\n0.188634 0.360280 0.132358 Pb\n0.688634 0.639720 0.867642 Pb\n0.188634 0.867642 0.639719 Pb\n0.688634 0.132358 0.360281 Pb\n0.137726 0.373968 0.626033 Se\n0.637727 0.626033 0.373967 Se\n0.787447 0.440091 0.303387 O\n0.287447 0.559909 0.696613 O\n0.722271 0.779165 0.220835 O\n0.222271 0.220836 0.779165 O\n0.951702 0.131056 0.136327 O\n0.951702 0.863673 0.868944 O\n0.451702 0.868944 0.863673 O\n0.287447 0.303387 0.440091 O\n0.451702 0.136327 0.131056 O\n0.787447 0.696613 0.559908 O\n",
"nsites": 18,
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],
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"volume": 335.54517766494655,
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"formula_full": "Pb6 Se2 O10",
"formula_reduced": "Pb3SeO5",
"formula_anonymous": "AB3C5",
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},
{
"id": "jvasp-9738",
"created_at": "2022-09-04T14:37:06.802378Z",
"updated_at": "2022-09-04T14:37:06.802398Z",
"structure_string": "Na4 Ge2 O6\n1.0\n4.942640 -0.000000 -0.000000\n0.000000 5.435168 -3.119270\n0.000000 0.004096 6.302024\nNa Ge O\n4 2 6\ndirect\n0.499542 0.506023 0.335112 Na\n0.499542 0.170910 0.664888 Na\n-0.000458 0.493978 0.664888 Na\n-0.000458 0.829091 0.335112 Na\n0.534640 0.834542 0.000000 Ge\n0.034640 0.165458 0.000000 Ge\n0.402512 0.107616 0.000000 O\n0.902512 0.892385 0.000000 O\n0.474183 0.564646 0.724383 O\n0.974183 0.435355 0.275617 O\n0.474183 0.840263 0.275617 O\n0.974183 0.159738 0.724383 O\n",
"nsites": 12,
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"elements": [
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"density": 3.2672800287474377,
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"volume": 169.36121889343715,
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"formula_anonymous": "AB2C3",
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"spacegroup": 36
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{
"id": "jvasp-19102",
"created_at": "2022-09-04T14:37:00.391929Z",
"updated_at": "2022-09-04T14:37:00.391944Z",
"structure_string": "Ca6 Ti4 O14\n1.0\n5.235673 -0.000000 -1.453238\n0.000000 5.493820 0.000000\n-0.015037 0.000000 10.103895\nCa Ti O\n6 4 14\ndirect\n0.445470 0.041165 0.375446 Ca\n0.554529 0.541165 0.624553 Ca\n0.070023 0.041165 0.624553 Ca\n0.929976 0.541165 0.375446 Ca\n0.745351 0.459186 -0.000000 Ca\n0.254648 0.959186 -0.000000 Ca\n0.150624 0.506388 0.800564 Ti\n0.649938 0.006388 0.800564 Ti\n0.350060 0.506388 0.199435 Ti\n0.849375 0.006388 0.199435 Ti\n0.119002 0.476918 0.604165 O\n0.880997 0.976918 0.395834 O\n0.928335 0.787278 0.774211 O\n0.514836 0.476918 0.395834 O\n0.485162 0.976918 0.604165 O\n0.623836 0.705411 0.167156 O\n0.376162 0.205411 0.832843 O\n0.543319 0.205411 0.167156 O\n0.456680 0.705411 0.832843 O\n0.154125 0.787278 0.225788 O\n0.845874 0.287278 0.774211 O\n0.071663 0.287278 0.225788 O\n0.824778 0.014892 -0.000000 O\n0.175221 0.514892 -0.000000 O\n",
"nsites": 24,
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],
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"volume": 290.5068172676472,
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"formula_full": "Ca6 Ti4 O14",
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},
{
"id": "jvasp-22532",
"created_at": "2022-09-04T14:37:00.896421Z",
"updated_at": "2022-09-04T14:37:00.896447Z",
"structure_string": "Br2 F10\n1.0\n4.874894 -0.020302 -0.000000\n-0.605147 4.837231 -0.000000\n-0.000000 0.000000 7.610269\nBr F\n2 10\ndirect\n0.829949 0.170051 0.254737 Br\n0.170049 0.829950 0.754737 Br\n0.098023 0.467556 0.244631 F\n0.901975 0.532444 0.744631 F\n0.338668 0.661332 0.590925 F\n0.661331 0.338669 0.090925 F\n0.355562 0.644437 0.910840 F\n0.644436 0.355563 0.410840 F\n0.006377 0.993623 0.564238 F\n0.993622 0.006378 0.064238 F\n0.467556 0.098024 0.744631 F\n0.532443 0.901976 0.244631 F\n",
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"elements": [
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"density_atomic": 0.06690299502664183,
"volume": 179.36416740717524,
"volume_molar": 9.001302195218447,
"formula_full": "Br2 F10",
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"spacegroup": 36
},
{
"id": "jvasp-52306",
"created_at": "2022-09-04T14:37:01.558589Z",
"updated_at": "2022-09-04T14:37:01.558604Z",
"structure_string": "Sc4 Ti2 O10\n1.0\n3.864336 0.000000 0.000000\n-1.932168 5.100483 0.000000\n0.000000 0.000000 10.297879\nSc Ti O\n4 2 10\ndirect\n0.362821 0.725640 0.436507 Sc\n0.305433 0.610867 0.749582 Sc\n0.694567 0.389132 0.249582 Sc\n0.637180 0.274359 0.936507 Sc\n0.366896 0.733793 0.059493 Ti\n0.633104 0.266206 0.559493 Ti\n0.446278 0.892554 0.891064 O\n0.184983 0.369964 0.569835 O\n0.270913 0.541825 0.241850 O\n0.198840 0.397679 0.932348 O\n0.462465 0.924930 0.619322 O\n0.729087 0.458174 0.741850 O\n0.815017 0.630036 0.069835 O\n0.553723 0.107445 0.391064 O\n0.537535 0.075069 0.119322 O\n0.801160 0.602321 0.432348 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.5633197009656676,
"density_atomic": 0.07882899919877999,
"volume": 202.97098989742884,
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"formula_full": "Sc4 Ti2 O10",
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"spacegroup": 36
},
{
"id": "jvasp-19088",
"created_at": "2022-09-04T14:37:02.909296Z",
"updated_at": "2022-09-04T14:37:02.909312Z",
"structure_string": "Ag10 Sb2 S8\n1.0\n7.321709 0.018803 0.000000\n-3.157197 6.606049 -0.000000\n-0.000000 -0.000000 8.785371\nAg Sb S\n10 2 8\ndirect\n0.559448 0.804966 0.488909 Ag\n0.868574 0.744810 0.669288 Ag\n0.440552 0.195034 0.988909 Ag\n0.857615 0.142385 0.831818 Ag\n0.142385 0.857615 0.331818 Ag\n0.255190 0.131426 0.669288 Ag\n0.744809 0.868574 0.169288 Ag\n0.195034 0.440552 0.488909 Ag\n0.131426 0.255190 0.169288 Ag\n0.804966 0.559448 0.988909 Ag\n0.325841 0.674159 0.898569 Sb\n0.674159 0.325841 0.398569 Sb\n0.499628 0.967407 0.725684 S\n0.500372 0.032593 0.225684 S\n0.028814 0.971186 0.978606 S\n0.971185 0.028814 0.478606 S\n0.516052 0.483948 0.797747 S\n0.483948 0.516052 0.297747 S\n0.032593 0.500372 0.725684 S\n0.967407 0.499628 0.225684 S\n",
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],
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"volume": 425.44857449212213,
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"formula_full": "Ag10 Sb2 S8",
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"spacegroup": 36
},
{
"id": "jvasp-50389",
"created_at": "2022-09-04T14:37:03.309864Z",
"updated_at": "2022-09-04T14:37:03.309884Z",
"structure_string": "Rb4 Zr2 O6\n1.0\n5.387121 3.700209 0.000000\n-5.387121 3.700209 0.000000\n0.000000 0.000000 5.918273\nRb Zr O\n4 2 6\ndirect\n0.480735 0.806630 0.249265 Rb\n0.193370 0.519265 0.749264 Rb\n0.519265 0.193370 0.749264 Rb\n0.806630 0.480735 0.249265 Rb\n0.911823 0.911823 0.738252 Zr\n0.088177 0.088177 0.238253 Zr\n0.131442 0.880676 0.492339 O\n0.119324 0.868559 0.992339 O\n0.652397 0.652397 0.718539 O\n0.347603 0.347603 0.218539 O\n0.868559 0.119324 0.992339 O\n0.880676 0.131442 0.492339 O\n",
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"elements": [
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],
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"volume": 235.9434773042987,
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"formula_full": "Rb4 Zr2 O6",
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},
{
"id": "jvasp-10871",
"created_at": "2022-09-04T14:37:03.339221Z",
"updated_at": "2022-09-04T14:37:03.339242Z",
"structure_string": "Na6 P2 S6 O2\n1.0\n5.907320 0.000000 0.000000\n0.000000 7.344971 -1.442535\n0.000000 -0.008726 7.485281\nNa P S O\n6 2 6 2\ndirect\n0.252970 0.085909 0.318160 Na\n0.705065 0.369456 0.630544 Na\n0.205065 0.630544 0.369456 Na\n0.252970 0.681839 0.914090 Na\n0.752970 0.914090 0.681839 Na\n0.752970 0.318160 0.085909 Na\n0.145784 0.205302 0.794697 P\n0.645784 0.794697 0.205302 P\n0.273379 0.951544 0.687123 S\n0.229346 0.381075 0.618925 S\n0.729346 0.618925 0.381075 S\n0.773379 0.048455 0.312876 S\n0.273379 0.312877 0.048455 S\n0.773379 0.687123 0.951544 S\n0.885207 0.195514 0.804486 O\n0.385206 0.804486 0.195514 O\n",
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"spacegroup": 36
},
{
"id": "jvasp-19076",
"created_at": "2022-09-04T14:37:03.701621Z",
"updated_at": "2022-09-04T14:37:03.701639Z",
"structure_string": "Sr4 Nb4 O14\n1.0\n3.969284 0.000000 -0.586399\n0.000000 5.785362 0.000000\n-0.013801 -0.000000 13.633656\nSr Nb O\n4 4 14\ndirect\n0.551441 0.970194 0.102882 Sr\n0.448559 0.470194 0.897118 Sr\n0.706390 0.540301 0.412781 Sr\n0.293609 0.040301 0.587219 Sr\n0.941499 0.970450 0.883001 Nb\n0.162321 0.002578 0.324642 Nb\n0.837679 0.502577 0.675358 Nb\n0.058500 0.470451 0.117000 Nb\n0.650945 0.965216 0.301891 O\n0.349055 0.465216 0.698110 O\n0.113225 0.667159 0.226451 O\n0.451519 0.943617 0.903038 O\n0.990888 0.227102 0.981778 O\n0.783529 0.292411 0.567059 O\n0.216470 0.792410 0.432942 O\n0.199691 0.270754 0.399382 O\n0.800308 0.770754 0.600619 O\n0.091758 0.160336 0.183515 O\n0.908242 0.660336 0.816485 O\n0.548481 0.443617 0.096962 O\n0.009111 0.727102 0.018222 O\n0.886774 0.167159 0.773549 O\n",
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],
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},
{
"id": "jvasp-10499",
"created_at": "2022-09-04T14:37:03.873891Z",
"updated_at": "2022-09-04T14:37:03.873916Z",
"structure_string": "Si2 Cu4 S6\n1.0\n6.104357 0.000000 -0.000000\n-0.000000 5.542871 -3.132445\n0.000000 -0.007340 6.366755\nSi Cu S\n2 4 6\ndirect\n0.989615 0.331007 0.331007 Si\n0.489615 0.668993 0.668993 Si\n0.019877 0.675759 0.998519 Cu\n0.519878 0.324241 0.001481 Cu\n0.519878 0.001482 0.324241 Cu\n0.019877 0.998518 0.675759 Cu\n0.394403 0.660996 0.984099 S\n0.894403 0.339003 0.015901 S\n0.860826 0.654507 0.654507 S\n0.360826 0.345493 0.345493 S\n0.394403 0.984098 0.660996 S\n0.894403 0.015901 0.339004 S\n",
"nsites": 12,
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],
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"density_atomic": 0.055740576388622606,
"volume": 215.28302679068383,
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"formula_full": "Si2 Cu4 S6",
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"spacegroup": 36
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{
"id": "jvasp-8579",
"created_at": "2022-09-04T14:37:03.919153Z",
"updated_at": "2022-09-04T14:37:03.919179Z",
"structure_string": "Hg2 I4\n1.0\n4.443486 -0.090272 0.000000\n-1.984697 3.976644 0.000000\n-0.000000 -0.000000 13.735335\nHg I\n2 4\ndirect\n0.650149 0.349851 0.501258 Hg\n0.349851 0.650148 0.001258 Hg\n0.602462 0.397539 0.137792 I\n0.397539 0.602461 0.637792 I\n0.097454 0.902544 0.864250 I\n0.902546 0.097455 0.364250 I\n",
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}
]
}