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{
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"results": [
{
"id": "mp-1181217",
"created_at": "2022-09-04T14:41:07.640152Z",
"structure_string": "Hg2 I6 N2 O2\n1.0\n5.877621 4.826838 0.021170\n-5.877621 4.826838 -0.021170\n0.056877 0.000000 8.410244\nHg I N O\n2 6 2 2\ndirect\n0.346735 0.517807 0.624350 Hg\n0.482193 0.653265 0.124350 Hg\n0.571488 0.424872 0.876235 I\n0.575128 0.428512 0.376235 I\n0.022574 0.264721 0.628065 I\n0.735279 0.977426 0.128065 I\n0.354366 0.892542 0.644023 I\n0.107458 0.645634 0.144023 I\n0.005400 0.898070 0.657444 N\n0.101930 0.994600 0.157444 N\n0.184209 0.079298 0.059464 O\n0.920702 0.815791 0.559464 O\n",
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"spacegroup": 9
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{
"id": "mp-1025575",
"created_at": "2022-09-04T14:45:25.382998Z",
"structure_string": "Mo1 W2 Se6\n1.0\n1.661340 -2.877526 0.000000\n1.661340 2.877526 0.000000\n0.000000 0.000000 30.740799\nMo W Se\n1 2 6\ndirect\n0.666667 0.333333 0.000000 Mo\n0.333333 0.666667 0.768661 W\n0.333333 0.666667 0.231339 W\n0.333333 0.666667 0.054529 Se\n0.666667 0.333333 0.713871 Se\n0.666667 0.333333 0.176542 Se\n0.666667 0.333333 0.823458 Se\n0.666667 0.333333 0.286129 Se\n0.333333 0.666667 0.945471 Se\n",
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},
{
"id": "mp-1217671",
"created_at": "2022-09-04T14:41:27.651551Z",
"structure_string": "Tb6 Ga19 Pt3\n1.0\n4.241541 0.000000 0.000000\n-2.120771 -6.162551 5.086908\n2.120771 -6.131939 -15.227510\nTb Ga Pt\n6 19 3\ndirect\n0.250588 0.749355 0.248180 Tb\n0.751233 0.251501 0.749036 Tb\n0.407962 0.229131 0.413206 Tb\n0.912839 0.735195 0.909517 Tb\n0.086477 0.263228 0.090273 Tb\n0.589999 0.769525 0.589526 Tb\n0.173877 0.803435 0.455681 Ga\n0.682173 0.316912 0.952566 Ga\n0.315772 0.672077 0.040533 Ga\n0.823809 0.195091 0.547473 Ga\n0.456123 0.097024 0.184778 Ga\n0.956957 0.589886 0.675972 Ga\n0.042884 0.412664 0.326895 Ga\n0.548230 0.914557 0.818098 Ga\n0.724760 0.555217 0.105697 Ga\n0.230452 0.064607 0.603703 Ga\n0.767250 0.933543 0.399044 Ga\n0.271673 0.432804 0.889457 Ga\n0.604678 0.441153 0.231797 Ga\n0.107407 0.943819 0.729005 Ga\n0.891873 0.058170 0.274424 Ga\n0.397833 0.565445 0.769778 Ga\n0.507972 0.008471 0.992527 Ga\n0.998691 0.498561 0.501180 Ga\n0.889436 0.887675 0.108803 Ga\n0.390903 0.392453 0.610648 Pt\n0.608637 0.607195 0.389922 Pt\n0.109512 0.111306 0.892282 Pt\n",
"nsites": 28,
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"elements": [
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"volume": 530.3322418226941,
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"formula_full": "Tb6 Ga19 Pt3",
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"formula_anonymous": "A3B6C19",
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"spacegroup": 8
},
{
"id": "mp-554187",
"created_at": "2022-09-04T14:40:54.202281Z",
"structure_string": "Sn2 H42 C14 S8 N2 O12 F4\n1.0\n7.823239 0.000000 0.000000\n-3.315463 9.705434 0.000000\n-3.054547 -2.838198 13.344106\nSn H C S N O F\n2 42 14 8 2 12 4\ndirect\n0.623123 0.253909 0.783198 Sn\n0.376877 0.746091 0.216802 Sn\n0.761357 0.648236 0.010125 H\n0.836105 0.375894 0.506957 H\n0.257074 0.228317 0.726891 H\n0.355113 0.250955 0.622404 H\n0.558000 0.453594 0.115644 H\n0.238643 0.351764 0.989875 H\n0.836803 0.810817 0.966707 H\n0.993054 0.554006 0.371744 H\n0.708868 0.353901 0.147986 H\n0.282613 0.978704 0.215668 H\n0.163197 0.189183 0.033293 H\n0.998668 0.397068 0.814707 H\n0.328967 0.876106 0.571334 H\n0.742926 0.771683 0.273109 H\n0.516056 0.696742 0.826959 H\n0.522555 0.026934 0.214563 H\n0.939918 0.648222 0.471591 H\n0.881239 0.081645 0.451280 H\n0.442000 0.546406 0.884356 H\n0.118761 0.918355 0.548720 H\n0.291132 0.646099 0.852014 H\n0.644887 0.749045 0.377596 H\n0.681980 0.977928 0.488417 H\n0.339135 0.935902 0.101490 H\n0.483944 0.303258 0.173041 H\n0.001332 0.602932 0.185293 H\n0.717387 0.021296 0.784332 H\n0.150810 0.183188 0.903054 H\n0.597185 0.600212 0.281779 H\n0.006946 0.445994 0.628256 H\n0.926155 0.450040 0.921016 H\n0.318020 0.022072 0.511583 H\n0.660865 0.064098 0.898510 H\n0.878548 0.519000 0.810681 H\n0.060082 0.351778 0.528409 H\n0.849190 0.816812 0.096946 H\n0.477445 0.973066 0.785437 H\n0.163895 0.624106 0.493043 H\n0.402815 0.399788 0.718221 H\n0.073845 0.549960 0.078984 H\n0.121452 0.481000 0.189319 H\n0.671033 0.123894 0.428666 H\n0.378758 0.286944 0.702843 C\n0.435956 0.650570 0.877772 C\n0.760541 0.083031 0.478827 C\n0.110763 0.573926 0.161032 C\n0.229286 0.241610 0.979653 C\n0.889237 0.426074 0.838968 C\n0.618306 0.053643 0.816936 C\n0.621242 0.713056 0.297157 C\n0.770714 0.758390 0.020347 C\n0.051761 0.639495 0.438406 C\n0.564044 0.349430 0.122228 C\n0.948239 0.360505 0.561594 C\n0.239459 0.916969 0.521173 C\n0.381694 0.946357 0.183064 C\n0.462001 0.236588 0.000349 S\n0.537999 0.763412 0.999651 S\n0.320004 0.288436 0.363027 S\n0.972256 0.182759 0.221960 S\n0.679996 0.711564 0.636973 S\n0.849777 0.197923 0.599998 S\n0.027744 0.817241 0.778040 S\n0.150223 0.802077 0.400002 S\n0.805130 0.761866 0.750766 N\n0.194870 0.238134 0.249234 N\n0.328155 0.796170 0.372044 O\n0.100459 0.846018 0.885207 O\n0.241964 0.211563 0.432610 O\n0.899541 0.153982 0.114793 O\n0.511929 0.315040 0.363599 O\n0.671845 0.203830 0.627956 O\n0.488071 0.684960 0.636401 O\n0.891966 0.254133 0.284323 O\n0.447299 0.673435 0.068799 O\n0.108034 0.745867 0.715677 O\n0.758036 0.788437 0.567390 O\n0.552701 0.326565 0.931201 O\n0.687038 0.555832 0.605128 F\n0.918197 0.024862 0.248428 F\n0.081803 0.975138 0.751572 F\n0.312962 0.444168 0.394872 F\n",
"nsites": 84,
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"elements": [
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"C",
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"N",
"O",
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],
"chemical_system": "C-F-H-N-O-S-Sn",
"density": 1.6396145498416457,
"density_atomic": 0.08290643564750629,
"volume": 1013.1903433545646,
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"formula_full": "Sn2 H42 C14 S8 N2 O12 F4",
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"updated_at": "2021-11-28T01:34:58.855000Z",
"spacegroup": 2
},
{
"id": "mp-1205337",
"created_at": "2022-09-04T14:40:55.020914Z",
"structure_string": "Ca6 Al4 P8\n1.0\n4.929044 6.326573 0.000000\n-4.929044 6.326573 0.000000\n0.000000 0.057511 6.474736\nCa Al P\n6 4 8\ndirect\n0.750692 0.008302 0.970054 Ca\n0.991698 0.249308 0.529946 Ca\n0.249308 0.991698 0.029946 Ca\n0.008302 0.750692 0.470054 Ca\n0.598957 0.401043 0.250000 Ca\n0.401043 0.598957 0.750000 Ca\n0.579532 0.827745 0.412055 Al\n0.172255 0.420468 0.087945 Al\n0.420468 0.172255 0.587945 Al\n0.827745 0.579532 0.912055 Al\n0.715554 0.058639 0.476706 P\n0.941361 0.284446 0.023294 P\n0.284446 0.941361 0.523294 P\n0.058639 0.715554 0.976706 P\n0.569228 0.742234 0.063241 P\n0.257766 0.430772 0.436759 P\n0.430772 0.257766 0.936759 P\n0.742234 0.569228 0.563241 P\n",
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"formula_full": "Ca6 Al4 P8",
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{
"id": "mp-1239087",
"created_at": "2022-09-04T14:41:29.870200Z",
"structure_string": "Tb4 Si4 Rh4\n1.0\n4.034097 0.000000 0.000000\n0.000000 5.337442 0.000000\n0.000000 0.000000 10.282979\nTb Si Rh\n4 4 4\ndirect\n0.250000 0.752145 0.462309 Tb\n0.250000 0.252145 0.037691 Tb\n0.750000 0.247855 0.537691 Tb\n0.750000 0.747855 0.962309 Tb\n0.250000 0.996929 0.744558 Si\n0.250000 0.496929 0.755442 Si\n0.750000 0.003071 0.255442 Si\n0.750000 0.503071 0.244558 Si\n0.250000 0.262523 0.323043 Rh\n0.250000 0.762523 0.176957 Rh\n0.750000 0.737477 0.676957 Rh\n0.750000 0.237477 0.823043 Rh\n",
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{
"id": "mp-9867",
"created_at": "2022-09-04T14:45:07.215150Z",
"structure_string": "Ba8 Si12 Ag4\n1.0\n0.000000 7.510792 9.975634\n4.331655 0.000000 9.975634\n4.331655 7.510792 0.000000\nBa Si Ag\n8 12 4\ndirect\n0.125588 0.125588 0.374412 Ba\n0.875588 0.875588 0.124412 Ba\n0.124412 0.124412 0.875588 Ba\n0.374412 0.374412 0.125588 Ba\n0.624203 0.624203 0.375797 Ba\n0.375797 0.375797 0.624203 Ba\n0.625797 0.625797 0.874203 Ba\n0.874203 0.874203 0.625797 Ba\n0.337732 0.656338 0.821611 Si\n0.184318 0.821611 0.656338 Si\n0.821611 0.184318 0.337732 Si\n0.656338 0.337732 0.184318 Si\n0.912268 0.593662 0.428389 Si\n0.065682 0.428389 0.593662 Si\n0.428389 0.065682 0.912268 Si\n0.909622 0.590378 0.909622 Si\n0.659622 0.340378 0.659622 Si\n0.340378 0.659622 0.340378 Si\n0.590378 0.909622 0.590378 Si\n0.593662 0.912268 0.065682 Si\n0.083033 0.416967 0.083033 Ag\n0.166967 0.833033 0.166967 Ag\n0.416967 0.083033 0.416967 Ag\n0.833033 0.166967 0.833033 Ag\n",
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{
"id": "mp-703528",
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"structure_string": "Rb4 P4 H8 O16\n1.0\n6.274707 0.000000 0.000000\n0.000000 7.667967 0.000000\n0.000000 3.061926 9.185295\nRb P H O\n4 4 8 16\ndirect\n0.757176 0.736893 0.781064 Rb\n0.257176 0.263107 0.718936 Rb\n0.242824 0.263107 0.218936 Rb\n0.742824 0.736893 0.281064 Rb\n0.245771 0.758211 0.019414 P\n0.745770 0.241789 0.480586 P\n0.754229 0.241789 0.980586 P\n0.254229 0.758211 0.519414 P\n0.263627 0.635806 0.836746 H\n0.763627 0.364194 0.663254 H\n0.736373 0.364194 0.163254 H\n0.236373 0.635806 0.336746 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.240621 0.598639 0.947377 O\n0.740621 0.401361 0.552623 O\n0.759379 0.401361 0.052623 O\n0.259379 0.598639 0.447377 O\n0.190557 0.668289 0.178677 O\n0.690557 0.331711 0.321323 O\n0.809443 0.331711 0.821323 O\n0.309443 0.668289 0.678677 O\n0.077877 0.903444 0.936521 O\n0.577877 0.096556 0.563479 O\n0.922123 0.096556 0.063479 O\n0.422123 0.903444 0.436521 O\n0.473093 0.845257 0.994604 O\n0.973093 0.154743 0.505396 O\n0.526907 0.154743 0.005396 O\n0.026907 0.845257 0.494604 O\n",
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{
"id": "mp-863723",
"created_at": "2022-09-04T14:46:03.696386Z",
"structure_string": "Ho4 Mg2 Ge4\n1.0\n7.262642 0.000000 0.000000\n0.000000 7.262642 0.000000\n0.000000 0.000000 4.256961\nHo Mg Ge\n4 2 4\ndirect\n0.677286 0.177286 0.500000 Ho\n0.322714 0.822714 0.500000 Ho\n0.177286 0.322714 0.500000 Ho\n0.822714 0.677286 0.500000 Ho\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.875908 0.375908 0.000000 Ge\n0.124092 0.624092 0.000000 Ge\n0.375908 0.124092 0.000000 Ge\n0.624092 0.875908 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:43:21.986493Z",
"structure_string": "Ta4 Mo2 O16\n1.0\n3.055792 9.984902 0.000000\n-3.055792 9.984902 0.000000\n0.000000 0.072416 5.146277\nTa Mo O\n4 2 16\ndirect\n0.685895 0.049117 0.248678 Ta\n0.950883 0.314105 0.251322 Ta\n0.314105 0.950883 0.751322 Ta\n0.049117 0.685895 0.748678 Ta\n0.339760 0.660240 0.250000 Mo\n0.660240 0.339760 0.750000 Mo\n0.783386 0.101512 0.919550 O\n0.898488 0.216614 0.580450 O\n0.216614 0.898488 0.080450 O\n0.101512 0.783386 0.419550 O\n0.564172 0.331330 0.431059 O\n0.668670 0.435828 0.068941 O\n0.435828 0.668670 0.568941 O\n0.331330 0.564172 0.931059 O\n0.760030 0.916026 0.576901 O\n0.083974 0.239970 0.923099 O\n0.203900 0.423960 0.646155 O\n0.576040 0.796100 0.853845 O\n0.796100 0.576040 0.353845 O\n0.423960 0.203900 0.146155 O\n0.916026 0.760030 0.076901 O\n0.239970 0.083974 0.423099 O\n",
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"elements": [
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],
"chemical_system": "Mo-O-Ta",
"density": 6.195276045444117,
"density_atomic": 0.07005383745197614,
"volume": 314.04418087847955,
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"formula_full": "Ta4 Mo2 O16",
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{
"id": "mp-1185948",
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"structure_string": "Mg2 Pt4\n1.0\n2.459462 -4.259914 0.000000\n2.459462 4.259914 0.000000\n0.000000 0.000000 4.537281\nMg Pt\n2 4\ndirect\n0.333333 0.666667 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.500000 Pt\n0.000000 0.333398 0.000000 Pt\n0.333398 0.000000 0.000000 Pt\n0.666602 0.666602 0.000000 Pt\n",
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"elements": [
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"density": 14.47800482613616,
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"volume": 95.07506273356854,
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"updated_at": "2021-11-28T01:35:21.145000Z",
"spacegroup": 189
},
{
"id": "mp-1228545",
"created_at": "2022-09-04T14:41:50.572542Z",
"structure_string": "Ba2 Sr2 Y2 Cu6 O13\n1.0\n0.000000 3.912139 11.767659\n3.821921 0.000000 11.767659\n3.821921 3.912139 0.000000\nBa Sr Y Cu O\n2 2 2 6 13\ndirect\n0.398012 0.914309 0.601988 Ba\n0.914309 0.398012 0.085691 Ba\n0.103726 0.591273 0.896274 Sr\n0.591273 0.103726 0.408727 Sr\n0.749049 0.248417 0.250951 Y\n0.248417 0.749049 0.751583 Y\n0.320759 0.817965 0.182035 Cu\n0.817965 0.320759 0.679241 Cu\n0.175394 0.678480 0.321520 Cu\n0.678480 0.175394 0.824606 Cu\n0.007558 0.497230 0.502770 Cu\n0.497230 0.007558 0.992442 Cu\n0.447508 0.902285 0.097715 O\n0.902285 0.447508 0.552492 O\n0.050810 0.607851 0.392149 O\n0.607851 0.050810 0.949190 O\n0.061163 0.061163 0.938837 O\n0.559044 0.559044 0.440956 O\n0.059075 0.059075 0.440925 O\n0.559075 0.559075 0.940925 O\n0.937088 0.937088 0.062912 O\n0.433339 0.433339 0.566661 O\n0.937028 0.937028 0.562972 O\n0.437028 0.437028 0.062972 O\n0.256533 0.256533 0.743467 O\n",
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],
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"volume": 351.89739639372345,
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"formula_full": "Ba2 Sr2 Y2 Cu6 O13",
"formula_reduced": "Ba2Sr2Y2Cu6O13",
"formula_anonymous": "A2B2C2D6E13",
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]
}