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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11462",
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"results": [
{
"id": "mp-759307",
"created_at": "2022-09-04T14:46:53.893788Z",
"structure_string": "Ti6 Nb12 O42\n1.0\n7.676660 0.000000 0.000000\n1.919843 10.384923 0.000000\n1.918805 4.224878 10.484313\nTi Nb O\n6 12 42\ndirect\n0.408498 0.368674 0.002288 Ti\n0.541218 0.478811 0.359511 Ti\n0.646380 0.780585 0.636779 Ti\n0.144681 0.791062 0.627383 Ti\n0.852039 0.218464 0.373092 Ti\n0.056761 0.144436 0.627178 Ti\n0.942609 0.859319 0.367101 Nb\n0.448488 0.839404 0.371097 Nb\n0.904588 0.359707 0.016037 Nb\n0.037628 0.481635 0.361062 Nb\n0.002907 0.004094 0.984071 Nb\n0.497455 0.011265 0.998894 Nb\n0.354831 0.216424 0.364817 Nb\n0.961023 0.519033 0.640172 Nb\n0.459637 0.519239 0.639520 Nb\n0.590361 0.636192 0.997727 Nb\n0.096634 0.634895 0.984657 Nb\n0.557460 0.143977 0.629612 Nb\n0.973268 0.912358 0.196326 O\n0.472966 0.908769 0.197607 O\n0.854504 0.583014 0.997339 O\n0.355849 0.581584 0.997081 O\n0.564284 0.552970 0.190419 O\n0.063749 0.555648 0.187352 O\n0.686210 0.834112 0.418831 O\n0.186578 0.834217 0.421751 O\n0.951744 0.186166 0.006579 O\n0.450250 0.192225 0.006570 O\n0.605352 0.966826 0.611172 O\n0.105018 0.969114 0.611744 O\n0.986950 0.636380 0.413858 O\n0.489033 0.631877 0.412927 O\n0.876878 0.294615 0.199675 O\n0.378034 0.296356 0.190793 O\n0.750169 0.996531 0.004046 O\n0.249462 0.997397 0.003431 O\n0.912824 0.751753 0.598586 O\n0.412611 0.750414 0.597721 O\n0.797124 0.426316 0.376523 O\n0.300940 0.427043 0.376201 O\n0.699661 0.577156 0.622452 O\n0.201383 0.574720 0.622060 O\n0.587731 0.249470 0.403709 O\n0.085656 0.250073 0.403179 O\n0.622500 0.704500 0.805476 O\n0.123137 0.705593 0.802305 O\n0.512416 0.366227 0.586605 O\n0.011235 0.366740 0.585813 O\n0.893175 0.036936 0.388453 O\n0.395600 0.028623 0.390496 O\n0.546703 0.813151 0.994872 O\n0.049868 0.809018 0.996311 O\n0.815242 0.166322 0.579917 O\n0.311287 0.165914 0.581795 O\n0.936089 0.443203 0.813502 O\n0.435561 0.443151 0.814319 O\n0.644460 0.412636 0.004062 O\n0.146458 0.414781 0.003707 O\n0.027061 0.089330 0.798894 O\n0.527783 0.089553 0.804548 O\n",
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"elements": [
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"Nb",
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],
"chemical_system": "Nb-O-Ti",
"density": 4.120533583621408,
"density_atomic": 0.07178532741930232,
"volume": 835.8253999391333,
"volume_molar": 8.38909701536126,
"formula_full": "Ti6 Nb12 O42",
"formula_reduced": "TiNb2O7",
"formula_anonymous": "AB2C7",
"energy": -566.5738006800001,
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"updated_at": "2021-11-28T01:37:46.879000Z",
"spacegroup": 1
},
{
"id": "mp-1101490",
"created_at": "2022-09-04T14:46:53.953682Z",
"structure_string": "Sb9 P12 O48\n1.0\n8.531842 0.000000 0.000000\n-0.021594 9.210139 0.000000\n-0.099654 -0.513328 13.134127\nSb P O\n9 12 48\ndirect\n0.641481 0.274104 0.117675 Sb\n0.144417 0.904724 0.524943 Sb\n0.850522 0.423313 0.817080 Sb\n0.006411 0.827241 0.842965 Sb\n0.493334 0.679895 0.166906 Sb\n0.993269 0.495648 0.487430 Sb\n0.429568 0.331403 0.835022 Sb\n0.039361 0.146762 0.174000 Sb\n0.552040 0.009963 0.490412 Sb\n0.815993 0.793890 0.616069 P\n0.295317 0.676211 0.384288 P\n0.704230 0.981621 0.255097 P\n0.176137 0.528418 0.713677 P\n0.205336 0.194815 0.404537 P\n0.816587 0.129195 0.940018 P\n0.797976 0.495419 0.272396 P\n0.289417 0.021689 0.745038 P\n0.193032 0.847004 0.062438 P\n0.291063 0.370107 0.070159 P\n0.701194 0.649607 0.951491 P\n0.711025 0.314265 0.591297 P\n0.702182 0.033631 0.369309 O\n0.708620 0.322234 0.715269 O\n0.109447 0.980959 0.764166 O\n0.109054 0.649967 0.411676 O\n0.908751 0.591511 0.223815 O\n0.288621 0.193326 0.756183 O\n0.185759 0.830009 0.939576 O\n0.166637 0.512548 0.595850 O\n0.376842 0.828010 0.087653 O\n0.913943 0.914518 0.562481 O\n0.293942 0.851504 0.407111 O\n0.615123 0.831654 0.251203 O\n0.372236 0.190736 0.444011 O\n0.166998 0.018985 0.080519 O\n0.892503 0.341115 0.566064 O\n0.690537 0.145291 0.573703 O\n0.911676 0.232142 0.871239 O\n0.344734 0.498049 0.749172 O\n0.126900 0.351763 0.117102 O\n0.865594 0.167834 0.054297 O\n0.122513 0.346656 0.409345 O\n0.648328 0.822581 0.584048 O\n0.314386 0.666525 0.265232 O\n0.373931 0.522119 0.084285 O\n0.588812 0.704329 0.877035 O\n0.713744 0.472087 0.948625 O\n0.881237 0.640899 0.584018 O\n0.869994 0.972683 0.915299 O\n0.593516 0.409361 0.547425 O\n0.887157 0.679494 0.923515 O\n0.092085 0.091519 0.463707 O\n0.674203 0.688768 0.067429 O\n0.876948 0.973750 0.221190 O\n0.414571 0.947220 0.799255 O\n0.809100 0.500332 0.394456 O\n0.084119 0.752278 0.114020 O\n0.406967 0.594790 0.445077 O\n0.395770 0.252277 0.115565 O\n0.124901 0.683650 0.749350 O\n0.612011 0.522034 0.242466 O\n0.270629 0.348336 0.951564 O\n0.607022 0.085348 0.188675 O\n0.640869 0.154199 0.938906 O\n0.836759 0.812346 0.734326 O\n0.072130 0.410793 0.762130 O\n0.805767 0.324938 0.243140 O\n0.204858 0.141171 0.290145 O\n0.301717 0.998023 0.622447 O\n",
"nsites": 69,
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"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Sb",
"density": 3.596771606576013,
"density_atomic": 0.06685576929604505,
"volume": 1032.0724856887077,
"volume_molar": 9.007660555565918,
"formula_full": "Sb9 P12 O48",
"formula_reduced": "Sb3(PO4)4",
"formula_anonymous": "A3B4C16",
"energy": -490.41894701,
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"updated_at": "2021-11-28T01:37:41.117000Z",
"spacegroup": 1
},
{
"id": "mp-686833",
"created_at": "2022-09-04T14:46:54.000006Z",
"structure_string": "Sr7 La1 Cu4 Bi8 O24\n1.0\n9.454747 0.000000 0.000000\n4.352513 9.081087 0.000000\n4.286222 3.017357 8.650180\nSr La Cu Bi O\n7 1 4 8 24\ndirect\n0.595868 0.435268 0.613124 Sr\n0.544336 0.279273 0.101972 Sr\n0.128731 0.949413 0.117996 Sr\n0.881176 0.064128 0.862686 Sr\n0.035672 0.788360 0.634264 Sr\n0.365642 0.774915 0.752327 Sr\n0.309579 0.553347 0.401210 Sr\n0.005265 0.229936 0.392681 La\n0.529561 0.975597 0.056770 Cu\n0.901854 0.314302 0.085289 Cu\n0.962018 0.513333 0.460271 Cu\n0.641346 0.163758 0.403415 Cu\n0.715239 0.655355 0.145936 Bi\n0.569984 0.052642 0.723386 Bi\n0.801023 0.555275 0.801105 Bi\n0.187098 0.231829 0.660177 Bi\n0.770624 0.854379 0.363471 Bi\n0.156257 0.590859 0.110986 Bi\n0.340499 0.941554 0.383930 Bi\n0.289461 0.301842 0.934193 Bi\n0.276852 0.214412 0.178980 O\n0.347745 0.693965 0.543154 O\n0.142465 0.009589 0.594718 O\n0.552775 0.073633 0.344593 O\n0.394121 0.304743 0.640915 O\n0.715359 0.777118 0.627723 O\n0.054562 0.691104 0.315114 O\n0.375609 0.650153 0.098581 O\n0.369717 0.032361 0.961271 O\n0.930216 0.440405 0.157090 O\n0.362454 0.501678 0.910716 O\n0.884790 0.180369 0.024095 O\n0.110272 0.825897 0.955645 O\n0.521534 0.518771 0.146545 O\n0.727109 0.889695 0.109088 O\n0.049078 0.523356 0.668441 O\n0.569299 0.211076 0.871445 O\n0.885700 0.334120 0.613723 O\n0.194505 0.361558 0.420074 O\n0.395348 0.020071 0.668881 O\n0.746880 0.631397 0.402489 O\n0.109377 0.962528 0.361272 O\n0.738638 0.215564 0.489510 O\n0.814362 0.711073 0.890749 O\n",
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"elements": [
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"La",
"Cu",
"Bi",
"O"
],
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"density": 6.8466483157384355,
"density_atomic": 0.05924337387313415,
"volume": 742.6990922938176,
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"formula_full": "Sr7 La1 Cu4 Bi8 O24",
"formula_reduced": "Sr7LaCu4(BiO3)8",
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"energy": -264.31617570000003,
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"spacegroup": 1
},
{
"id": "mp-1290895",
"created_at": "2022-09-04T14:46:54.185814Z",
"structure_string": "Li8 Co4 O12\n1.0\n4.888229 -0.061631 1.035610\n0.023333 8.270504 -1.971371\n-0.118362 -0.148452 5.158859\nLi Co O\n8 4 12\ndirect\n0.745344 0.420473 0.922224 Li\n0.245918 0.916573 0.414387 Li\n0.496996 0.166153 0.160082 Li\n0.995672 0.667325 0.673412 Li\n0.747711 0.086635 0.591824 Li\n0.247973 0.582044 0.068354 Li\n0.256467 0.249319 0.755790 Li\n0.753817 0.748728 0.248892 Li\n0.495097 0.498772 0.505859 Co\n0.506622 0.833734 0.832929 Co\n0.992411 0.995958 0.976602 Co\n0.010805 0.333205 0.344150 Co\n0.638844 0.311060 0.542032 O\n0.138188 0.816213 0.037845 O\n0.363829 0.023008 0.786317 O\n0.860382 0.517070 0.298910 O\n0.151126 0.458217 0.690637 O\n0.634113 0.945252 0.149464 O\n0.108925 0.142801 0.372576 O\n0.614720 0.637443 0.875546 O\n0.889832 0.190086 0.960939 O\n0.400088 0.704359 0.498340 O\n0.352596 0.382143 0.156267 O\n0.852519 0.873428 0.636623 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.8554738640505763,
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"formula_full": "Li8 Co4 O12",
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},
{
"id": "mp-1280477",
"created_at": "2022-09-04T14:46:54.135560Z",
"structure_string": "Na16 Fe4 O20\n1.0\n7.313874 0.028679 0.007567\n-3.650171 3.663210 -7.174828\n0.033804 7.336182 4.771280\nNa Fe O\n16 4 20\ndirect\n0.192939 0.798908 0.204535 Na\n0.949996 0.304526 0.456548 Na\n0.436806 0.299050 0.952910 Na\n0.689373 0.801680 0.696846 Na\n0.095399 0.391718 0.093283 Na\n0.849591 0.895700 0.347531 Na\n0.348787 0.894638 0.837097 Na\n0.598319 0.399691 0.599241 Na\n0.653049 0.100415 0.151082 Na\n0.405912 0.610472 0.399056 Na\n0.893475 0.599823 0.912467 Na\n0.151197 0.096390 0.656570 Na\n0.561723 0.704945 0.068347 Na\n0.302601 0.196974 0.296439 Na\n0.800837 0.191714 0.801515 Na\n0.058934 0.707603 0.541929 Na\n0.247927 0.497852 0.755575 Fe\n0.517884 0.036266 0.480825 Fe\n0.985054 0.969607 0.008772 Fe\n0.732550 0.463852 0.268004 Fe\n0.897358 0.788577 0.107939 O\n0.626753 0.250375 0.375315 O\n0.143829 0.300239 0.836561 O\n0.331434 0.680685 0.644042 O\n0.255553 0.035786 0.043261 O\n0.007222 0.530638 0.304008 O\n0.509057 0.547109 0.819296 O\n0.758937 0.037368 0.551435 O\n0.256617 0.624037 0.940069 O\n0.993006 0.121111 0.169975 O\n0.492214 0.124063 0.679365 O\n0.737285 0.616271 0.434346 O\n0.514253 0.883137 0.316435 O\n0.270289 0.381786 0.572083 O\n0.756737 0.374546 0.069788 O\n0.010002 0.876618 0.816282 O\n0.488169 0.458752 0.200110 O\n0.242871 0.969522 0.444598 O\n0.744087 0.963687 0.942850 O\n0.991974 0.473865 0.703667 O\n",
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"volume": 513.0942368984539,
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"formula_full": "Na16 Fe4 O20",
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"energy": -212.80958051,
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"spacegroup": 1
},
{
"id": "mp-1233945",
"created_at": "2022-09-04T14:46:54.276459Z",
"structure_string": "Ca1 V4 Ge4 O16\n1.0\n4.930382 0.282911 -0.301736\n0.303801 5.456928 -0.121260\n0.848328 -0.244123 11.357335\nCa V Ge O\n1 4 4 16\ndirect\n0.470135 0.528783 0.384286 Ca\n0.859394 0.646167 0.595357 V\n0.529744 0.753383 0.049275 V\n0.501070 0.238762 0.927754 V\n0.036830 0.154409 0.439057 V\n0.053971 0.806139 0.832034 Ge\n0.378230 0.258145 0.677108 Ge\n0.618587 0.976146 0.280356 Ge\n0.959948 0.200850 0.128481 Ge\n0.320950 0.173166 0.322644 O\n0.077420 0.500572 0.479932 O\n0.287027 0.129481 0.060865 O\n0.257305 0.048491 0.572377 O\n0.437053 0.729074 0.218314 O\n0.246089 0.067415 0.815119 O\n0.125943 0.530316 0.716394 O\n0.270540 0.616696 0.942789 O\n0.742592 0.394908 0.036131 O\n0.821687 0.281247 0.277553 O\n0.840138 0.905391 0.148120 O\n0.620052 0.328023 0.793332 O\n0.779488 0.897022 0.417917 O\n0.750648 0.913099 0.930059 O\n0.606135 0.412695 0.572837 O\n0.799650 0.884621 0.704131 O\n",
"nsites": 25,
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"elements": [
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],
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"density": 4.291479057092786,
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"formula_full": "Ca1 V4 Ge4 O16",
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},
{
"id": "mp-1222149",
"created_at": "2022-09-04T14:46:54.277009Z",
"structure_string": "Na3 H5 Se4 O16\n1.0\n5.987352 0.000000 0.000000\n-2.002630 7.141199 0.000000\n-0.415316 -2.549418 8.689121\nNa H Se O\n3 5 4 16\ndirect\n0.806808 0.632922 0.087386 Na\n0.196850 0.372204 0.924447 Na\n0.982759 0.991807 0.494274 Na\n0.413147 0.118722 0.146293 H\n0.585290 0.882391 0.856648 H\n0.852470 0.619820 0.618995 H\n0.156716 0.390390 0.382035 H\n0.488244 0.028946 0.513642 H\n0.670541 0.336626 0.679287 Se\n0.336283 0.678770 0.329207 Se\n0.797584 0.143808 0.157139 Se\n0.201064 0.855050 0.841276 Se\n0.881464 0.324516 0.078379 O\n0.113236 0.672252 0.917096 O\n0.981074 0.170553 0.309454 O\n0.018450 0.828965 0.687822 O\n0.537377 0.156101 0.236701 O\n0.463063 0.845497 0.764395 O\n0.431443 0.152696 0.572783 O\n0.557464 0.863252 0.438743 O\n0.738860 0.924192 0.032060 O\n0.257518 0.074122 0.966468 O\n0.579715 0.448978 0.834642 O\n0.424674 0.564470 0.172212 O\n0.736215 0.485578 0.558589 O\n0.267112 0.521617 0.445629 O\n0.884087 0.241040 0.698637 O\n0.107491 0.756715 0.302760 O\n",
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}