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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=290",
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"results": [
{
"id": "jvasp-11374",
"created_at": "2022-09-04T14:37:07.519875Z",
"updated_at": "2022-09-04T14:37:07.519902Z",
"structure_string": "Na2 Sm2 Ti3 O10\n1.0\n3.791221 -0.000000 -0.506109\n-0.067563 3.790618 -0.506109\n0.010201 0.010384 14.529317\nNa Sm Ti O\n2 2 3 10\ndirect\n0.288169 0.288168 0.576338 Na\n0.711831 0.711831 0.423662 Na\n0.424886 0.424885 0.849772 Sm\n0.575115 0.575114 0.150228 Sm\n0.000000 0.000000 0.000000 Ti\n0.146236 0.146236 0.292473 Ti\n0.853765 0.853764 0.707527 Ti\n0.500000 0.000000 -0.000000 O\n0.869244 0.369244 0.738489 O\n0.000000 0.500000 -0.000000 O\n0.208104 0.208104 0.416208 O\n0.791896 0.791896 0.583792 O\n0.630756 0.130756 0.261511 O\n0.130756 0.630756 0.261511 O\n0.369245 0.869243 0.738489 O\n0.067490 0.067490 0.134980 O\n0.932510 0.932509 0.865020 O\n",
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"formula_full": "Na2 Sm2 Ti3 O10",
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{
"id": "jvasp-122112",
"created_at": "2022-09-04T14:38:55.382927Z",
"updated_at": "2022-09-04T14:38:55.382954Z",
"structure_string": "Na3 Sm2 Si2 Se6\n1.0\n7.103653 0.333612 1.319633\n-3.540861 6.167292 1.319633\n0.158500 0.289210 7.656190\nNa Sm Si Se\n3 2 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.658377 0.341622 -0.000000 Na\n0.341622 0.658377 -0.000000 Na\n0.836469 0.163530 0.500000 Sm\n0.163530 0.836469 0.500000 Sm\n0.565046 0.565046 0.330860 Si\n0.434954 0.434954 0.669139 Si\n0.210785 0.210785 0.239099 Se\n0.789215 0.789215 0.760901 Se\n0.592285 0.924302 0.272248 Se\n0.407714 0.075697 0.727752 Se\n0.075697 0.407714 0.727752 Se\n0.924302 0.592285 0.272248 Se\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Na-Se-Si-Sm",
"density": 4.40429442360694,
"density_atomic": 0.038327575499468754,
"volume": 339.181381305483,
"volume_molar": 15.7122924722527,
"formula_full": "Na3 Sm2 Si2 Se6",
"formula_reduced": "Na3Sm2(SiSe3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-45315",
"created_at": "2022-09-04T14:38:29.634805Z",
"updated_at": "2022-09-04T14:38:29.634825Z",
"structure_string": "Na2 Sm6 Si2 S14\n1.0\n5.065728 -8.774099 0.000000\n5.065728 8.774099 -0.000000\n0.000000 -0.000000 5.746581\nNa Sm Si S\n2 6 2 14\ndirect\n0.000000 0.000000 0.980383 Na\n0.000000 0.000000 0.480383 Na\n0.361173 0.234507 0.249622 Sm\n0.234507 0.873333 0.749622 Sm\n0.873333 0.638827 0.249622 Sm\n0.765494 0.126668 0.249622 Sm\n0.126668 0.361173 0.749622 Sm\n0.638827 0.765494 0.749622 Sm\n0.333333 0.666667 0.335357 Si\n0.666667 0.333333 0.835357 Si\n0.477656 0.889244 0.483331 S\n0.889244 0.411587 0.983331 S\n0.588413 0.477656 0.983331 S\n0.522344 0.110756 0.983331 S\n0.333333 0.666667 0.967147 S\n0.666667 0.333333 0.467148 S\n0.831347 0.091165 0.728816 S\n0.110756 0.588413 0.483331 S\n0.740182 0.831347 0.228817 S\n0.091165 0.259818 0.228817 S\n0.411587 0.522344 0.483331 S\n0.259818 0.168654 0.728816 S\n0.908836 0.740182 0.728816 S\n0.168654 0.908836 0.228817 S\n",
"nsites": 24,
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"elements": [
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"Si",
"S"
],
"chemical_system": "Na-S-Si-Sm",
"density": 4.723856530090314,
"density_atomic": 0.046981547330349024,
"volume": 510.8388583127091,
"volume_molar": 12.818097960153459,
"formula_full": "Na2 Sm6 Si2 S14",
"formula_reduced": "NaSm3SiS7",
"formula_anonymous": "ABC3D7",
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"spacegroup": 173
},
{
"id": "jvasp-24253",
"created_at": "2022-09-04T14:37:46.440187Z",
"updated_at": "2022-09-04T14:37:46.440212Z",
"structure_string": "Na4 Sm4 Se8 O28\n1.0\n0.000000 8.267683 -0.035765\n6.963584 0.000000 0.000000\n0.000000 -0.209387 -10.661289\nNa Sm Se O\n4 4 8 28\ndirect\n0.812638 0.372086 0.065793 Na\n0.687362 0.872086 0.934207 Na\n0.187362 0.627914 0.934207 Na\n0.312638 0.127914 0.065793 Na\n0.193425 0.851046 0.415914 Sm\n0.306574 0.351046 0.584086 Sm\n0.806574 0.148954 0.584087 Sm\n0.693425 0.648954 0.415914 Sm\n0.954078 0.858152 0.159264 Se\n0.545922 0.358152 0.840737 Se\n0.442141 0.829850 0.674340 Se\n0.454078 0.641847 0.159264 Se\n0.942141 0.670149 0.674340 Se\n0.557858 0.170150 0.325660 Se\n0.057859 0.329850 0.325660 Se\n0.045922 0.141848 0.840737 Se\n0.857822 0.382929 0.334379 O\n0.823723 0.028584 0.118783 O\n0.160974 0.505765 0.411239 O\n0.436108 0.658979 0.552541 O\n0.857210 0.059803 0.813034 O\n0.449825 0.814820 0.052256 O\n0.176276 0.971415 0.881217 O\n0.550174 0.185179 0.947745 O\n0.676276 0.528584 0.881218 O\n0.660973 0.994234 0.411240 O\n0.357822 0.117070 0.334379 O\n0.563892 0.341021 0.447459 O\n0.050175 0.314821 0.947744 O\n0.642789 0.559803 0.186967 O\n0.578410 0.274827 0.694157 O\n0.063892 0.158979 0.447459 O\n0.142178 0.617070 0.665622 O\n0.357210 0.440196 0.813034 O\n0.839026 0.494234 0.588761 O\n0.323723 0.471416 0.118783 O\n0.921589 0.774827 0.305844 O\n0.339026 0.005766 0.588761 O\n0.421590 0.725172 0.305843 O\n0.642178 0.882929 0.665622 O\n0.936107 0.841020 0.552541 O\n0.078410 0.225172 0.694157 O\n0.142790 0.940196 0.186967 O\n0.949825 0.685179 0.052256 O\n",
"nsites": 44,
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"elements": [
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],
"chemical_system": "Na-O-Se-Sm",
"density": 4.7963386583891605,
"density_atomic": 0.0716785859307379,
"volume": 613.8513954853495,
"volume_molar": 8.401589793943643,
"formula_full": "Na4 Sm4 Se8 O28",
"formula_reduced": "NaSmSe2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.0936571916666664,
"spacegroup": 14
},
{
"id": "jvasp-21781",
"created_at": "2022-09-04T14:38:36.337200Z",
"updated_at": "2022-09-04T14:38:36.337222Z",
"structure_string": "Na2 Sm4 Ir2 O12\n1.0\n0.000000 5.466014 -0.002690\n5.945628 0.000000 0.000000\n0.000000 -5.287833 -7.865945\nNa Sm Ir O\n2 4 2 12\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.778233 0.078657 0.253505 Sm\n0.221766 0.578658 0.246495 Sm\n0.778233 0.421343 0.753504 Sm\n0.221766 0.921343 0.746495 Sm\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.142837 0.825620 0.444194 O\n0.857162 0.325620 0.055806 O\n0.605931 0.448668 0.234580 O\n0.394068 0.948668 0.265420 O\n0.394068 0.551332 0.765419 O\n0.270333 0.213242 0.930140 O\n0.729667 0.786758 0.069859 O\n0.270333 0.286758 0.430141 O\n0.142837 0.674380 0.944194 O\n0.729667 0.713242 0.569859 O\n0.605931 0.051332 0.734580 O\n0.857162 0.174380 0.555805 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ir-Na-O-Sm",
"density": 7.947178302971763,
"density_atomic": 0.07821084215223416,
"volume": 255.71902116935183,
"volume_molar": 7.699879702456283,
"formula_full": "Na2 Sm4 Ir2 O12",
"formula_reduced": "NaSm2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.323094885,
"spacegroup": 14
},
{
"id": "jvasp-109835",
"created_at": "2022-09-04T14:38:09.183743Z",
"updated_at": "2022-09-04T14:38:09.183767Z",
"structure_string": "Na2 Sm1 Cu1 Cl6\n1.0\n6.298724 -0.000000 3.636570\n2.099575 5.938494 3.636570\n-0.000000 -0.000000 7.273140\nNa Sm Cu Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sm\n0.499999 0.500000 0.500000 Cu\n0.741279 0.258720 0.258720 Cl\n0.258720 0.258720 0.741280 Cl\n0.258719 0.741280 0.741281 Cl\n0.258719 0.741280 0.258720 Cl\n0.741279 0.258720 0.741280 Cl\n0.741279 0.741280 0.258721 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Cu-Na-Sm",
"density": 2.8846638923325263,
"density_atomic": 0.03675776966006324,
"volume": 272.0513266305395,
"volume_molar": 16.383313829138455,
"formula_full": "Na2 Sm1 Cu1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-98627",
"created_at": "2022-09-04T14:36:11.695811Z",
"updated_at": "2022-09-04T14:36:11.695823Z",
"structure_string": "Na8 Si12 H8 O32\n1.0\n6.387509 0.000000 -3.568703\n0.000000 12.762272 0.000000\n-0.049916 0.000000 9.064179\nNa Si H O\n8 12 8 32\ndirect\n0.143069 0.668779 0.495063 Na\n0.856931 0.168779 0.004937 Na\n0.856931 0.331221 0.504937 Na\n0.143068 0.831221 0.995063 Na\n0.291801 0.076436 0.963583 Na\n0.708198 0.576436 0.536417 Na\n0.708199 0.923564 0.036417 Na\n0.291801 0.423564 0.463583 Na\n0.225043 0.370086 0.066516 Si\n0.774957 0.870086 0.433485 Si\n0.774956 0.629914 0.933485 Si\n0.225043 0.129914 0.566516 Si\n0.361798 0.304830 0.814404 Si\n0.638201 0.804830 0.685596 Si\n0.253658 0.604610 0.183250 Si\n0.361798 0.195170 0.314404 Si\n0.746342 0.104610 0.316751 Si\n0.746342 0.395390 0.816751 Si\n0.253658 0.895390 0.683250 Si\n0.638202 0.695170 0.185596 Si\n0.793706 0.099749 0.672416 H\n0.206294 0.900251 0.327584 H\n0.793706 0.400251 0.172416 H\n0.206293 0.599749 0.827584 H\n0.840670 0.002599 0.793545 H\n0.840671 0.497400 0.293545 H\n0.159329 0.502599 0.706456 H\n0.159329 0.997400 0.206456 H\n0.628342 0.685254 0.000154 O\n0.628341 0.814745 0.500154 O\n0.371658 0.314745 -0.000154 O\n0.390302 0.810209 0.638329 O\n0.609697 0.310209 0.861671 O\n0.609697 0.189791 0.361671 O\n0.288667 0.318807 0.251955 O\n0.711333 0.818807 0.248045 O\n0.711333 0.681192 0.748045 O\n0.288666 0.181192 0.751955 O\n0.118123 0.578465 0.709812 O\n0.881877 0.078465 0.790189 O\n0.371658 0.185255 0.499846 O\n0.390302 0.689791 0.138329 O\n0.018412 0.658402 0.067904 O\n0.675475 0.411094 0.623021 O\n0.981588 0.341597 0.932096 O\n0.018412 0.841597 0.567904 O\n0.209295 0.385241 0.673531 O\n0.790705 0.885241 0.826469 O\n0.790705 0.614759 0.326469 O\n0.209295 0.114759 0.173531 O\n0.259131 0.495769 0.085035 O\n0.740869 0.995769 0.414965 O\n0.740869 0.504231 0.914965 O\n0.259131 0.004231 0.585035 O\n0.324524 0.588905 0.376979 O\n0.675476 0.088905 0.123021 O\n0.881877 0.421535 0.290189 O\n0.324524 0.911094 0.876979 O\n0.981588 0.158403 0.432096 O\n0.118123 0.921535 0.209812 O\n",
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"elements": [
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],
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"density_atomic": 0.08145195724071182,
"volume": 736.6305492535228,
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"formula_full": "Na8 Si12 H8 O32",
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"spacegroup": 14
},
{
"id": "jvasp-86544",
"created_at": "2022-09-04T14:36:16.443940Z",
"updated_at": "2022-09-04T14:36:16.443960Z",
"structure_string": "Na2 Si4 Cu2 O11\n1.0\n5.183654 -0.010741 -0.685371\n-1.266495 6.179721 -0.752270\n-0.024380 -0.055703 8.354892\nNa Si Cu O\n2 4 2 11\ndirect\n0.872841 0.352955 0.193250 Na\n0.127158 0.647046 0.806749 Na\n0.408477 0.654653 0.187043 Si\n0.009663 0.134143 0.679848 Si\n0.591522 0.345348 0.812957 Si\n0.299727 0.110590 0.070608 Si\n0.990335 0.865857 0.320152 Cu\n0.700272 0.889411 0.929391 Cu\n0.768562 0.269311 0.672556 O\n0.726989 0.588697 0.896945 O\n0.231437 0.730689 0.327443 O\n0.001178 0.024870 0.183786 O\n0.715511 0.674847 0.279836 O\n0.402324 0.824879 0.053044 O\n0.597674 0.175121 0.946956 O\n0.000000 0.000000 0.500000 O\n0.284487 0.325153 0.720163 O\n-0.001179 0.975130 0.816214 O\n0.273009 0.411303 0.103055 O\n",
"nsites": 19,
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"elements": [
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],
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"density": 2.867949183856907,
"density_atomic": 0.0711200141493506,
"volume": 267.15405258638424,
"volume_molar": 8.467575311998147,
"formula_full": "Na2 Si4 Cu2 O11",
"formula_reduced": "Na2Cu2Si4O11",
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},
{
"id": "jvasp-88814",
"created_at": "2022-09-04T14:35:43.716498Z",
"updated_at": "2022-09-04T14:35:43.716534Z",
"structure_string": "Na2 Si4 Cu5 O14\n1.0\n5.788945 0.004839 0.146128\n2.504915 6.516317 3.301045\n-0.004292 -0.036785 7.971395\nNa Si Cu O\n2 4 5 14\ndirect\n0.232375 0.633772 0.056823 Na\n0.767624 0.366228 0.943178 Na\n0.305187 0.284639 0.905942 Si\n0.581985 0.103345 0.318422 Si\n0.418013 0.896655 0.681579 Si\n0.180274 0.932070 0.223276 Si\n0.010184 0.736542 0.632831 Cu\n0.989814 0.263458 0.367169 Cu\n0.819725 0.067930 0.776724 Cu\n0.694812 0.715361 0.094058 Cu\n0.499999 0.500000 0.500000 Cu\n0.806596 0.897289 0.033756 O\n0.511385 0.293981 0.755254 O\n0.488614 0.706019 0.244746 O\n0.811931 0.282547 0.527772 O\n0.715443 0.853063 0.547944 O\n0.939834 0.499130 0.208276 O\n0.060165 0.500870 0.791725 O\n0.284556 0.146937 0.452056 O\n0.909074 0.139983 0.265334 O\n0.090925 0.860017 0.734666 O\n0.188067 0.717453 0.472228 O\n0.193403 0.102711 0.966244 O\n0.418448 0.306402 0.078435 O\n0.581550 0.693598 0.921565 O\n",
"nsites": 25,
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"elements": [
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"volume": 301.298626285249,
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"formula_full": "Na2 Si4 Cu5 O14",
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},
{
"id": "jvasp-96888",
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{
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"structure_string": "Na2 Si4 Cu2 O11\n1.0\n5.183364 -0.010439 -0.685863\n-1.265918 6.180063 -0.751710\n-0.025301 -0.055258 8.353931\nNa Si Cu O\n2 4 2 11\ndirect\n0.872860 0.352861 0.193295 Na\n0.127139 0.647138 0.806705 Na\n0.408590 0.654635 0.187102 Si\n0.009537 0.134169 0.679824 Si\n0.591409 0.345364 0.812898 Si\n0.299759 0.110587 0.070616 Si\n0.990462 0.865829 0.320176 Cu\n0.700240 0.889412 0.929384 Cu\n0.768318 0.269246 0.672445 O\n0.726921 0.588699 0.896817 O\n0.231681 0.730754 0.327554 O\n0.001230 0.024801 0.183758 O\n0.715700 0.674787 0.279846 O\n0.402365 0.824840 0.053049 O\n0.597634 0.175158 0.946952 O\n0.000000 0.000000 0.500000 O\n0.284299 0.325213 0.720153 O\n-0.001230 0.975197 0.816242 O\n0.273078 0.411300 0.103184 O\n",
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}