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{
"id": "mp-1197550",
"created_at": "2022-09-04T14:46:35.445072Z",
"structure_string": "Mg8 S8 O52\n1.0\n5.599603 9.326517 0.000000\n-5.599603 9.326517 0.000000\n0.000000 0.689244 10.574220\nMg S O\n8 8 52\ndirect\n0.269445 0.029483 0.049679 Mg\n0.970517 0.730555 0.450321 Mg\n0.730555 0.970517 0.950321 Mg\n0.029483 0.269445 0.549679 Mg\n0.719272 0.454621 0.888075 Mg\n0.545379 0.280728 0.611925 Mg\n0.280728 0.545379 0.111925 Mg\n0.454621 0.719272 0.388075 Mg\n0.065440 0.285210 0.856604 S\n0.714790 0.934560 0.643396 S\n0.934560 0.714790 0.143396 S\n0.285210 0.065440 0.356604 S\n0.528301 0.298730 0.929435 S\n0.701270 0.471699 0.570565 S\n0.471699 0.701270 0.070565 S\n0.298730 0.528301 0.429435 S\n0.155810 0.147536 0.921766 O\n0.852464 0.844190 0.578234 O\n0.844190 0.852464 0.078234 O\n0.147536 0.155810 0.421766 O\n0.066887 0.250698 0.721576 O\n0.749302 0.933113 0.778424 O\n0.933113 0.749302 0.278424 O\n0.250698 0.066887 0.221576 O\n0.117674 0.383483 0.869031 O\n0.616517 0.882326 0.630969 O\n0.882326 0.616517 0.130969 O\n0.383483 0.117674 0.369031 O\n0.920217 0.333171 0.909202 O\n0.666829 0.079783 0.590798 O\n0.079783 0.666829 0.090798 O\n0.333171 0.920217 0.409202 O\n0.568584 0.149456 0.962508 O\n0.850544 0.431416 0.537492 O\n0.431416 0.850544 0.037492 O\n0.149456 0.568584 0.462508 O\n0.646824 0.324410 0.956672 O\n0.675590 0.353175 0.543328 O\n0.353175 0.675590 0.043328 O\n0.324410 0.646824 0.456672 O\n0.403158 0.383417 0.007843 O\n0.616583 0.596842 0.492157 O\n0.596842 0.616583 0.992157 O\n0.383417 0.403158 0.507843 O\n0.498318 0.328975 0.793184 O\n0.671025 0.501682 0.706816 O\n0.501682 0.671025 0.206816 O\n0.328975 0.498318 0.293184 O\n0.960285 0.013218 0.956384 O\n0.986782 0.039715 0.543616 O\n0.039715 0.986782 0.043616 O\n0.013218 0.960285 0.456384 O\n0.350017 0.872399 0.776221 O\n0.127601 0.649983 0.723779 O\n0.649983 0.127601 0.223779 O\n0.872399 0.350017 0.276221 O\n0.337277 0.110646 0.638584 O\n0.889354 0.662723 0.861416 O\n0.662723 0.889354 0.361416 O\n0.110646 0.337277 0.138584 O\n0.840380 0.612792 0.790077 O\n0.387208 0.159620 0.709923 O\n0.159620 0.387208 0.209923 O\n0.612792 0.840380 0.290077 O\n0.810014 0.346788 0.184325 O\n0.653212 0.189986 0.315675 O\n0.189986 0.653212 0.815675 O\n0.346788 0.810014 0.684325 O\n",
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"spacegroup": 15
},
{
"id": "mp-1211181",
"created_at": "2022-09-04T14:39:42.314067Z",
"structure_string": "Na4 P4 O26\n1.0\n4.173362 5.706714 0.000000\n-4.173362 5.706714 0.000000\n0.000000 5.340185 11.091489\nNa P O\n4 4 26\ndirect\n0.392430 0.099214 0.763195 Na\n0.607570 0.900786 0.236805 Na\n0.900786 0.607570 0.736805 Na\n0.099214 0.392430 0.263195 Na\n0.286270 0.477854 0.866701 P\n0.713730 0.522146 0.133299 P\n0.522146 0.713730 0.633299 P\n0.477854 0.286270 0.366701 P\n0.619969 0.090345 0.346064 O\n0.380031 0.909655 0.653936 O\n0.909655 0.380031 0.153936 O\n0.090345 0.619969 0.846064 O\n0.483433 0.516567 0.750000 O\n0.516567 0.483433 0.250000 O\n0.416413 0.659950 0.538504 O\n0.583587 0.340050 0.461496 O\n0.340050 0.583587 0.961496 O\n0.659950 0.416413 0.038504 O\n0.309613 0.250421 0.914796 O\n0.690387 0.749579 0.085204 O\n0.749579 0.690387 0.585204 O\n0.250421 0.309613 0.414796 O\n0.821332 0.078190 0.883023 O\n0.178668 0.921810 0.116977 O\n0.921810 0.178668 0.616977 O\n0.078190 0.821332 0.383023 O\n0.945301 0.191264 0.850381 O\n0.054699 0.808736 0.149619 O\n0.808736 0.054699 0.649619 O\n0.191264 0.945301 0.350381 O\n0.324622 0.498202 0.585079 O\n0.675378 0.501798 0.414921 O\n0.501798 0.675378 0.914921 O\n0.498202 0.324622 0.085079 O\n",
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"formula_full": "Na4 P4 O26",
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{
"id": "mp-720334",
"created_at": "2022-09-04T14:46:32.882906Z",
"structure_string": "Na4 P4 H28 O26\n1.0\n3.508277 7.074839 0.000000\n-3.508277 7.074839 0.000000\n0.000000 6.288630 11.978518\nNa P H O\n4 4 28 26\ndirect\n0.144826 0.382208 0.230671 Na\n0.617792 0.855174 0.269329 Na\n0.855174 0.617792 0.769329 Na\n0.382208 0.144826 0.730671 Na\n0.144441 0.855786 0.139564 P\n0.144214 0.855559 0.360436 P\n0.855559 0.144214 0.860436 P\n0.855786 0.144441 0.639564 P\n0.854477 0.710350 0.068091 H\n0.289650 0.145523 0.431909 H\n0.145523 0.289650 0.931909 H\n0.710350 0.854477 0.568091 H\n0.340287 0.086426 0.101847 H\n0.913574 0.659713 0.398153 H\n0.659713 0.913574 0.898153 H\n0.086426 0.340287 0.601847 H\n0.530951 0.469626 0.113930 H\n0.530374 0.469049 0.386070 H\n0.469049 0.530374 0.886070 H\n0.469626 0.530951 0.613930 H\n0.785670 0.535857 0.124615 H\n0.464143 0.214330 0.375385 H\n0.214330 0.464143 0.875385 H\n0.535857 0.785670 0.624615 H\n0.737190 0.378102 0.018912 H\n0.621898 0.262810 0.481088 H\n0.262810 0.621898 0.981088 H\n0.378102 0.737190 0.518912 H\n0.551876 0.093709 0.058443 H\n0.906291 0.448124 0.441557 H\n0.448124 0.906291 0.941557 H\n0.093709 0.551876 0.558443 H\n0.805138 0.142961 0.152105 H\n0.857039 0.194862 0.347895 H\n0.194862 0.857039 0.847895 H\n0.142961 0.805138 0.652105 H\n0.212137 0.015394 0.054177 O\n0.984606 0.787863 0.445823 O\n0.787863 0.984606 0.945823 O\n0.015394 0.212137 0.554177 O\n0.235503 0.647099 0.108363 O\n0.352901 0.764497 0.391637 O\n0.764497 0.352901 0.891637 O\n0.647099 0.235503 0.608363 O\n0.886433 0.974506 0.182753 O\n0.025494 0.113567 0.317247 O\n0.113567 0.025494 0.817247 O\n0.974506 0.886433 0.682753 O\n0.235472 0.764528 0.250000 O\n0.764528 0.235472 0.750000 O\n0.839782 0.606426 0.138826 O\n0.393574 0.160218 0.361174 O\n0.160218 0.393574 0.861174 O\n0.606426 0.839782 0.638826 O\n0.423478 0.118645 0.122135 O\n0.881355 0.576522 0.377865 O\n0.576522 0.881355 0.877865 O\n0.118645 0.423478 0.622135 O\n0.693097 0.386345 0.098667 O\n0.613655 0.306903 0.401333 O\n0.306903 0.613655 0.901333 O\n0.386345 0.693097 0.598667 O\n",
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"formula_full": "Na4 P4 H28 O26",
"formula_reduced": "Na2P2H14O13",
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"updated_at": "2021-11-28T01:37:36.515000Z",
"spacegroup": 15
},
{
"id": "mp-1227624",
"created_at": "2022-09-04T14:40:21.903099Z",
"structure_string": "Fe4 Cu26 Ge4 S32\n1.0\n10.550175 0.000000 0.000000\n0.000000 10.550175 0.000000\n0.000000 0.000000 10.550175\nFe Cu Ge S\n4 26 4 32\ndirect\n0.249181 0.750819 0.249181 Fe\n0.750819 0.249181 0.249181 Fe\n0.249181 0.249181 0.750819 Fe\n0.750819 0.750819 0.750819 Fe\n0.500000 0.500000 0.246625 Cu\n0.500000 0.753375 0.500000 Cu\n0.246625 0.500000 0.500000 Cu\n0.500000 0.246625 0.500000 Cu\n0.753375 0.500000 0.500000 Cu\n0.500000 0.500000 0.753375 Cu\n0.000000 0.739793 0.000000 Cu\n0.000000 0.000000 0.260207 Cu\n0.739793 0.000000 0.000000 Cu\n0.000000 0.000000 0.739793 Cu\n0.260207 0.000000 0.000000 Cu\n0.000000 0.260207 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.244629 Cu\n0.000000 0.755371 0.500000 Cu\n0.244629 0.500000 0.000000 Cu\n0.000000 0.244629 0.500000 Cu\n0.755371 0.500000 0.000000 Cu\n0.500000 0.000000 0.755371 Cu\n0.000000 0.500000 0.244629 Cu\n0.500000 0.755371 0.000000 Cu\n0.244629 0.000000 0.500000 Cu\n0.500000 0.244629 0.000000 Cu\n0.755371 0.000000 0.500000 Cu\n0.000000 0.500000 0.755371 Cu\n0.746740 0.746740 0.253260 Ge\n0.253260 0.746740 0.746740 Ge\n0.746740 0.253260 0.746740 Ge\n0.253260 0.253260 0.253260 Ge\n0.372386 0.870382 0.129618 S\n0.129618 0.870382 0.372386 S\n0.129618 0.627614 0.129618 S\n0.627614 0.129618 0.129618 S\n0.870382 0.129618 0.372386 S\n0.870382 0.372386 0.129618 S\n0.372386 0.129618 0.870382 S\n0.129618 0.129618 0.627614 S\n0.129618 0.372386 0.870382 S\n0.627614 0.870382 0.870382 S\n0.870382 0.870382 0.627614 S\n0.870382 0.627614 0.870382 S\n0.876905 0.625735 0.374265 S\n0.625735 0.876905 0.374265 S\n0.625735 0.625735 0.123095 S\n0.123095 0.625735 0.625735 S\n0.374265 0.876905 0.625735 S\n0.374265 0.625735 0.876905 S\n0.876905 0.374265 0.625735 S\n0.625735 0.123095 0.625735 S\n0.625735 0.374265 0.876905 S\n0.123095 0.374265 0.374265 S\n0.374265 0.123095 0.374265 S\n0.374265 0.374265 0.123095 S\n0.371227 0.628773 0.371227 S\n0.628773 0.371227 0.371227 S\n0.371227 0.371227 0.628773 S\n0.628773 0.628773 0.628773 S\n0.872644 0.872644 0.127356 S\n0.127356 0.872644 0.872644 S\n0.872644 0.127356 0.872644 S\n0.127356 0.127356 0.127356 S\n",
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{
"id": "mp-1044174",
"created_at": "2022-09-04T14:40:28.933677Z",
"structure_string": "Si2 Sn13 Sb2 O28\n1.0\n6.844510 0.000000 0.000000\n2.339419 9.528089 0.000000\n2.243843 0.124985 11.236430\nSi Sn Sb O\n2 13 2 28\ndirect\n0.789850 0.718786 0.985039 Si\n0.210150 0.281214 0.014961 Si\n0.289403 0.366757 0.725286 Sn\n0.238041 0.665949 0.204299 Sn\n0.952748 0.649733 0.697073 Sn\n0.710597 0.633243 0.274714 Sn\n0.761959 0.334051 0.795701 Sn\n0.290601 0.088781 0.431923 Sn\n0.669175 0.337328 0.122167 Sn\n0.000000 0.000000 0.000000 Sn\n0.476898 0.980375 0.172788 Sn\n0.330825 0.662672 0.877833 Sn\n0.047252 0.350267 0.302927 Sn\n0.523102 0.019625 0.827212 Sn\n0.709399 0.911219 0.568077 Sn\n0.875470 0.992825 0.300755 Sb\n0.124530 0.007175 0.699245 Sb\n0.991008 0.572943 0.321268 O\n0.412602 0.687384 0.329235 O\n0.015917 0.750747 0.972025 O\n0.613442 0.873090 0.007526 O\n0.587398 0.312616 0.670765 O\n0.008992 0.427057 0.678732 O\n0.381685 0.937090 0.570476 O\n0.618315 0.062910 0.429524 O\n0.386558 0.126910 0.992474 O\n0.718943 0.103841 0.177418 O\n0.737422 0.611260 0.095284 O\n0.750880 0.408948 0.278876 O\n0.038772 0.126131 0.566659 O\n0.126990 0.898705 0.184265 O\n0.223195 0.349368 0.140370 O\n0.984083 0.249253 0.027975 O\n0.873010 0.101295 0.815735 O\n0.281057 0.896159 0.822582 O\n0.961228 0.873869 0.433341 O\n0.728907 0.844962 0.251337 O\n0.271093 0.155038 0.748663 O\n0.776805 0.650632 0.859630 O\n0.964359 0.864854 0.677963 O\n0.731632 0.705184 0.603608 O\n0.262578 0.388740 0.904716 O\n0.035641 0.135146 0.322037 O\n0.249120 0.591052 0.721124 O\n0.268368 0.294816 0.396392 O\n",
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{
"id": "mp-1331450",
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"structure_string": "Mn13 Si2 Sb2 O28\n1.0\n11.410067 2.793709 0.000000\n-11.410067 2.793709 0.000000\n0.000000 1.686584 8.683226\nMn Si Sb O\n13 2 2 28\ndirect\n0.357597 0.040733 0.369447 Mn\n0.202524 0.350564 0.646470 Mn\n0.959415 0.642314 0.634322 Mn\n0.642314 0.959415 0.634322 Mn\n0.793800 0.644050 0.354448 Mn\n0.285550 0.713577 0.001853 Mn\n0.644050 0.793800 0.354448 Mn\n0.998327 0.998327 0.000549 Mn\n0.427447 0.575666 0.999043 Mn\n0.350564 0.202524 0.646470 Mn\n0.040733 0.357597 0.369447 Mn\n0.575666 0.427447 0.999043 Mn\n0.713577 0.285550 0.001853 Mn\n0.765973 0.765973 0.682808 Si\n0.228398 0.228398 0.317568 Si\n0.854131 0.145975 0.000172 Sb\n0.145975 0.854131 0.000172 Sb\n0.996111 0.295947 0.593249 O\n0.381560 0.807900 0.640516 O\n0.063097 0.063097 0.651243 O\n0.681975 0.681975 0.873558 O\n0.609170 0.179040 0.360871 O\n0.008369 0.708740 0.409494 O\n0.419964 0.997183 0.901412 O\n0.572327 0.991524 0.102441 O\n0.312495 0.312495 0.127430 O\n0.721199 0.881026 0.116097 O\n0.594701 0.714261 0.614025 O\n0.708740 0.008369 0.409494 O\n0.991524 0.572327 0.102441 O\n0.117963 0.276940 0.886133 O\n0.278640 0.399552 0.384821 O\n0.930887 0.930887 0.350276 O\n0.881026 0.721199 0.116097 O\n0.276940 0.117963 0.886133 O\n0.997183 0.419964 0.901412 O\n0.596449 0.885215 0.863068 O\n0.404736 0.115501 0.137907 O\n0.714261 0.594701 0.614025 O\n0.885215 0.596449 0.863068 O\n0.807900 0.381560 0.640516 O\n0.399552 0.278640 0.384821 O\n0.115501 0.404736 0.137907 O\n0.295947 0.996111 0.593249 O\n0.179040 0.609170 0.360871 O\n",
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}