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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=691",
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"results": [
{
"id": "jvasp-57370",
"created_at": "2022-09-04T14:37:44.730102Z",
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"structure_string": "Rb2 Nd2 W4 O16\n1.0\n6.775176 -0.009727 3.527452\n-1.726197 6.551592 3.527452\n-0.004287 -0.005555 7.690270\nRb Nd W O\n2 2 4 16\ndirect\n0.800809 0.199191 0.750000 Rb\n0.199190 0.800809 0.250000 Rb\n0.227593 0.772407 0.750000 Nd\n0.772407 0.227593 0.250000 Nd\n0.691341 0.694999 0.768093 W\n0.694999 0.691341 0.268094 W\n0.308658 0.305001 0.231906 W\n0.305000 0.308659 0.731906 W\n0.618787 0.756942 0.060400 O\n0.243057 0.381213 0.439600 O\n0.926116 0.609578 0.136601 O\n0.369223 0.581233 0.976204 O\n0.795087 0.946035 0.189930 O\n0.053964 0.204913 0.310070 O\n0.418767 0.630776 0.523795 O\n0.390421 0.073884 0.363399 O\n0.381213 0.243057 0.939600 O\n0.756943 0.618787 0.560400 O\n0.946036 0.795087 0.689930 O\n0.073884 0.390421 0.863399 O\n0.204912 0.053965 0.810070 O\n0.581233 0.369224 0.476204 O\n0.609579 0.926116 0.636601 O\n0.630776 0.418767 0.023795 O\n",
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{
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"structure_string": "Pr6 Si4 S16 I2\n1.0\n7.874525 0.000000 0.000000\n-3.937263 7.928485 -1.129090\n0.000000 -0.021111 10.921361\nPr Si S I\n6 4 16 2\ndirect\n0.319248 0.395748 0.180949 Pr\n0.599588 0.000000 0.250000 Pr\n0.680752 0.604253 0.819051 Pr\n0.923500 0.604253 0.319051 Pr\n0.076500 0.395748 0.680949 Pr\n0.400412 0.000000 0.750000 Pr\n0.303060 0.680717 0.971708 Si\n0.622343 0.319283 0.528291 Si\n0.377658 0.680717 0.471708 Si\n0.696940 0.319283 0.028292 Si\n0.549141 0.298519 0.337526 S\n0.851215 0.564366 0.585216 S\n0.722494 0.135380 0.541030 S\n0.891063 0.290033 0.146301 S\n0.749378 0.298520 0.837526 S\n0.277506 0.864621 0.458970 S\n0.601030 0.709967 0.353699 S\n0.450859 0.701481 0.662474 S\n0.250623 0.701481 0.162474 S\n0.412885 0.135379 0.041030 S\n0.108937 0.709967 0.853699 S\n0.398970 0.290034 0.646301 S\n0.148786 0.435635 0.414784 S\n0.587115 0.864621 0.958970 S\n0.713151 0.564366 0.085216 S\n0.286849 0.435635 0.914784 S\n0.983728 0.000000 0.750000 I\n0.016272 0.000000 0.250000 I\n",
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{
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"updated_at": "2022-09-04T14:37:45.274014Z",
"structure_string": "Ti4 P4 N12\n1.0\n-2.662768 4.153779 -0.732406\n0.004911 -0.004341 -6.401242\n-4.852982 -4.144623 0.496599\nTi P N\n4 4 12\ndirect\n0.250000 0.717809 0.717809 Ti\n0.750001 0.896924 0.896924 Ti\n0.750000 0.282191 0.282191 Ti\n0.250000 0.103076 0.103076 Ti\n0.205263 0.613124 0.213556 P\n0.705263 0.786444 0.386876 P\n0.794738 0.386876 0.786443 P\n0.294738 0.213556 0.613123 P\n0.368720 0.385857 0.145981 N\n0.361824 0.026218 0.784912 N\n0.093250 0.420092 0.710157 N\n0.631281 0.614143 0.854019 N\n0.131281 0.145981 0.385856 N\n0.138176 0.784912 0.026219 N\n0.406751 0.710157 0.420092 N\n0.861825 0.215088 0.973781 N\n0.638177 0.973782 0.215087 N\n0.906751 0.579908 0.289843 N\n0.868720 0.854019 0.614143 N\n0.593250 0.289843 0.579908 N\n",
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{
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"updated_at": "2022-09-04T14:37:47.093950Z",
"structure_string": "Ti2 Mn4 P24\n1.0\n5.831570 0.000000 -0.000000\n-2.915784 7.315936 -3.450994\n-0.000000 -0.004028 10.716430\nTi Mn P\n2 4 24\ndirect\n0.302693 -0.000000 0.750000 Ti\n0.697307 -0.000000 0.250000 Ti\n0.372017 0.364653 0.546475 Mn\n0.992637 0.364654 0.046475 Mn\n0.627984 0.635347 0.453525 Mn\n0.007364 0.635347 0.953525 Mn\n0.416007 0.124884 0.167336 P\n0.291124 0.875116 0.332664 P\n0.647385 0.642979 0.663675 P\n0.004405 0.357021 0.836326 P\n0.352616 0.357021 0.336326 P\n0.995596 0.642979 0.163675 P\n0.431906 0.764977 0.992903 P\n0.666929 0.235023 0.507098 P\n0.568095 0.235023 0.007098 P\n0.594998 0.547315 0.925033 P\n0.983174 0.065431 0.927657 P\n0.082258 0.065431 0.427657 P\n0.016826 0.934569 0.072344 P\n0.331097 0.312122 0.743070 P\n0.018975 0.687878 0.756930 P\n0.668904 0.687879 0.256931 P\n0.981026 0.312122 0.243070 P\n0.708877 0.124884 0.667336 P\n0.583994 0.875116 0.832664 P\n0.952318 0.547316 0.425033 P\n0.405003 0.452685 0.074968 P\n0.047683 0.452685 0.574967 P\n0.917743 0.934569 0.572344 P\n0.333072 0.764977 0.492903 P\n",
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{
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"created_at": "2022-09-04T14:37:47.614390Z",
"updated_at": "2022-09-04T14:37:47.614409Z",
"structure_string": "H4 N4 O4\n1.0\n5.616989 0.000000 -2.659009\n-0.367209 3.002546 3.618493\n-0.367209 -3.002546 3.618493\nH N O\n4 4 4\ndirect\n-0.038892 0.273398 0.144279 H\n0.461108 0.144279 0.273397 H\n0.038891 0.726601 0.855719 H\n0.538891 0.855719 0.726601 H\n0.250000 0.605390 0.394609 N\n0.750000 0.394609 0.605389 N\n0.250000 0.805291 0.194708 N\n0.750000 0.194708 0.805291 N\n0.091133 0.301606 0.372395 O\n0.591133 0.372395 0.301606 O\n0.908867 0.698393 0.627603 O\n0.408867 0.627604 0.698393 O\n",
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},
{
"id": "jvasp-21473",
"created_at": "2022-09-04T14:37:47.690608Z",
"updated_at": "2022-09-04T14:37:47.690641Z",
"structure_string": "Cr2 P8\n1.0\n4.709690 -0.010942 2.272294\n1.835994 5.400386 0.885816\n0.009140 -0.005471 5.997993\nCr P\n2 8\ndirect\n0.061118 0.250000 0.877764 Cr\n0.938880 0.750001 0.122236 Cr\n0.492707 0.309404 0.561225 P\n0.946067 0.190598 0.561225 P\n0.183841 0.323914 0.176117 P\n0.640042 0.176087 0.176117 P\n0.816157 0.676087 0.823882 P\n0.359956 0.823915 0.823883 P\n0.053932 0.809404 0.438775 P\n0.507292 0.690598 0.438774 P\n",
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{
"id": "jvasp-36691",
"created_at": "2022-09-04T14:37:47.905466Z",
"updated_at": "2022-09-04T14:37:47.905491Z",
"structure_string": "Sr4 Tc4 N12\n1.0\n-3.158071 5.084770 -1.184450\n0.043059 -0.023306 -7.522094\n-5.544509 -5.074311 0.306730\nSr Tc N\n4 4 12\ndirect\n0.750000 0.328360 0.328360 Sr\n0.250000 0.092045 0.092045 Sr\n0.250000 0.671640 0.671640 Sr\n0.750000 0.907954 0.907955 Sr\n0.741982 0.799622 0.376518 Tc\n0.758018 0.376518 0.799623 Tc\n0.241982 0.623481 0.200377 Tc\n0.258018 0.200377 0.623482 Tc\n0.835664 0.869528 0.593103 N\n0.490829 0.679799 0.371998 N\n-0.009171 0.628002 0.320200 N\n0.166539 0.766038 0.012357 N\n0.509170 0.320200 0.628002 N\n0.666539 0.987642 0.233961 N\n0.664335 0.593103 0.869529 N\n0.333461 0.012357 0.766039 N\n0.335664 0.406897 0.130472 N\n0.009171 0.371998 0.679800 N\n0.833461 0.233961 0.987643 N\n0.164336 0.130471 0.406897 N\n",
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{
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"created_at": "2022-09-04T14:37:48.792303Z",
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"structure_string": "Ti2 I8\n1.0\n6.899111 -0.002497 0.062706\n0.036325 6.944320 3.543999\n-0.004844 -0.016402 7.796443\nTi I\n2 8\ndirect\n0.750000 0.338583 0.661417 Ti\n0.250000 0.661417 0.338583 Ti\n0.925097 0.496445 0.270733 I\n0.574902 0.729267 0.503555 I\n0.074902 0.503555 0.729267 I\n0.425098 0.270733 0.496446 I\n0.599702 0.258247 0.994569 I\n0.900299 0.005431 0.741754 I\n0.400298 0.741753 0.005432 I\n0.099701 0.994569 0.258247 I\n",
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{
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"created_at": "2022-09-04T14:37:49.432428Z",
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"structure_string": "Sr4 Re4 N12\n1.0\n-3.178809 5.156836 -1.300981\n0.061982 -0.044241 -7.570037\n-5.543808 -5.137937 0.423155\nSr Re N\n4 4 12\ndirect\n0.750000 0.319524 0.319525 Sr\n0.750000 0.909080 0.909081 Sr\n0.250000 0.090919 0.090919 Sr\n0.250000 0.680475 0.680476 Sr\n0.755571 0.377073 0.797322 Re\n0.744430 0.797322 0.377074 Re\n0.255570 0.202678 0.622927 Re\n0.244430 0.622927 0.202678 Re\n0.164733 0.767080 0.013450 N\n0.502459 0.323014 0.629134 N\n0.497542 0.676986 0.370867 N\n0.835267 0.232920 0.986551 N\n0.664734 0.986550 0.232921 N\n0.337222 0.402554 0.127533 N\n0.837223 0.872466 0.597446 N\n-0.002459 0.629134 0.323014 N\n0.162778 0.127533 0.402554 N\n0.335267 0.013449 0.767080 N\n0.662778 0.597446 0.872467 N\n0.002459 0.370866 0.676986 N\n",
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{
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"created_at": "2022-09-04T14:37:50.330133Z",
"updated_at": "2022-09-04T14:37:50.330157Z",
"structure_string": "K6 Sm2 As4 S16\n1.0\n8.563874 -0.028495 -1.909946\n-4.935904 8.382286 -3.109388\n0.024184 -0.059988 10.690142\nK Sm As S\n6 2 4 16\ndirect\n0.254219 0.004219 0.008435 K\n0.486312 0.736311 0.472620 K\n0.500000 0.500000 -0.000000 K\n0.513688 0.263689 0.527379 K\n0.745781 0.995781 0.991564 K\n0.000000 0.500000 0.000000 K\n0.993154 0.243154 0.486308 Sm\n0.006846 0.756846 0.513691 Sm\n0.006210 0.901464 0.241903 As\n0.264305 0.659562 0.758095 As\n0.735695 0.340437 0.241904 As\n0.993790 0.098535 0.758096 As\n0.120100 0.247846 0.986194 S\n0.633906 0.261652 0.013806 S\n0.789354 0.142627 0.648958 S\n0.191697 0.127183 0.655805 S\n0.035894 0.471377 0.344196 S\n0.640395 0.493667 0.351047 S\n0.808303 0.872817 0.344194 S\n0.138475 0.155456 0.284269 S\n0.210645 0.857373 0.351041 S\n0.354206 0.871191 0.715731 S\n0.879899 0.752154 0.013805 S\n0.359604 0.506333 0.648953 S\n0.645794 0.128809 0.284268 S\n0.366094 0.738348 0.986193 S\n0.964106 0.528622 0.655803 S\n0.861525 0.844544 0.715730 S\n",
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{
"id": "jvasp-12792",
"created_at": "2022-09-04T14:37:50.327131Z",
"updated_at": "2022-09-04T14:37:50.327152Z",
"structure_string": "Rb4 B4 Se14\n1.0\n6.894025 0.000000 2.359365\n3.098620 7.807598 2.197680\n-0.046525 0.034349 11.387742\nRb B Se\n4 4 14\ndirect\n0.662982 0.191674 0.020034 Rb\n0.337018 0.808327 0.979965 Rb\n0.125309 0.691674 0.520034 Rb\n0.874691 0.308327 0.479965 Rb\n0.613166 0.883734 0.348608 B\n0.845506 0.616267 0.151391 B\n0.386834 0.116267 0.651391 B\n0.154493 0.383734 0.848608 B\n0.421658 0.263391 0.479206 Se\n0.545914 0.750000 0.250000 Se\n0.454086 0.250000 0.750000 Se\n0.903682 0.898008 0.267532 Se\n0.069222 0.601993 0.232467 Se\n0.096318 0.101993 0.732467 Se\n0.930778 0.398008 0.767532 Se\n0.386644 0.123074 0.332937 Se\n0.613356 0.876926 0.667063 Se\n0.157346 0.623074 0.832936 Se\n0.578342 0.736610 0.520793 Se\n0.835745 0.763391 0.979206 Se\n0.164254 0.236610 0.020793 Se\n0.842654 0.376926 0.167063 Se\n",
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"density": 4.034159046900981,
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},
{
"id": "jvasp-30290",
"created_at": "2022-09-04T14:37:50.389321Z",
"updated_at": "2022-09-04T14:37:50.389347Z",
"structure_string": "Mn4 F14\n1.0\n5.264387 0.712750 -0.213672\n2.304048 4.786769 0.213672\n-1.154262 1.588495 9.479190\nMn F\n4 14\ndirect\n0.231742 0.326110 0.419470 Mn\n0.326110 0.231741 0.080530 Mn\n0.673891 0.768258 0.919470 Mn\n0.768260 0.673889 0.580530 Mn\n0.940841 0.329932 0.973568 F\n0.535083 0.804817 0.092416 F\n0.645373 0.209487 0.171220 F\n0.790514 0.354627 0.671220 F\n0.670068 0.059160 0.473568 F\n0.329934 0.940839 0.526432 F\n0.354629 0.790512 0.828780 F\n0.797905 0.797903 0.750000 F\n0.464919 0.195182 0.907584 F\n0.059161 0.670067 0.026432 F\n0.202096 0.202096 0.250000 F\n0.195184 0.464917 0.592416 F\n0.209488 0.645372 0.328780 F\n0.804818 0.535082 0.407584 F\n",
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"density": 3.6766390277297347,
"density_atomic": 0.08205019730431258,
"volume": 219.3779002534332,
"volume_molar": 7.339581083107858,
"formula_full": "Mn4 F14",
"formula_reduced": "Mn2F7",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.7491162733620689,
"spacegroup": 15
}
]
}