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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11527",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11525",
"results": [
{
"id": "mp-1075644",
"created_at": "2022-09-04T14:46:17.514750Z",
"structure_string": "Mg10 Si18\n1.0\n5.571715 0.000000 0.000000\n2.078308 7.181007 0.000000\n2.264769 0.452402 12.494522\nMg Si\n10 18\ndirect\n0.492076 0.014956 0.284237 Mg\n0.753680 0.915838 0.552980 Mg\n0.007014 0.499483 0.459968 Mg\n0.657553 0.604519 0.697904 Mg\n0.566335 0.314195 0.458872 Mg\n0.203514 0.050930 0.509647 Mg\n0.001861 0.904481 0.748182 Mg\n0.534074 0.734504 0.105729 Mg\n0.081779 0.170812 0.907802 Mg\n0.126945 0.490278 0.051893 Mg\n0.313971 0.734916 0.908227 Si\n0.648522 0.301737 0.106560 Si\n0.206785 0.297352 0.659783 Si\n0.029063 0.745254 0.241958 Si\n0.137234 0.526811 0.820257 Si\n0.974938 0.286927 0.232263 Si\n0.790514 0.243098 0.647331 Si\n0.681319 0.588957 0.294889 Si\n0.568158 0.306237 0.834628 Si\n0.957881 0.017515 0.347481 Si\n0.026765 0.896646 0.063965 Si\n0.656954 0.006786 0.925771 Si\n0.462453 0.954104 0.774401 Si\n0.339639 0.445122 0.261290 Si\n0.346800 0.112925 0.083076 Si\n0.716442 0.499812 0.939975 Si\n0.516308 0.706315 0.472338 Si\n0.201072 0.629635 0.608832 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4865583152685904,
"density_atomic": 0.05600981543340616,
"volume": 499.91237755980615,
"volume_molar": 10.751938233326493,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -108.14461382,
"energy_per_atom": -3.8623076364285716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.42261382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.681000Z",
"spacegroup": 1
},
{
"id": "mp-772498",
"created_at": "2022-09-04T14:46:17.541613Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.792165 0.000000 0.000000\n0.035216 8.759144 0.000000\n0.005585 0.297216 10.255728\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.744141 0.915795 0.124226 Na\n0.002382 0.748451 0.373058 Na\n0.998949 0.746258 0.873647 Na\n0.500732 0.747222 0.872911 Na\n0.499215 0.249919 0.126219 Na\n0.499386 0.252779 0.626225 Na\n0.759981 0.910514 0.624184 Li\n0.542636 0.716172 0.394163 Li\n0.038669 0.278601 0.109762 Li\n0.024208 0.272535 0.615927 Li\n0.240819 0.094747 0.373604 Li\n0.230373 0.098691 0.872456 Li\n0.254196 0.638603 0.115645 Mn\n0.252333 0.642914 0.609178 Mn\n0.758112 0.348140 0.388106 Mn\n0.755325 0.357145 0.890015 Mn\n0.753536 0.582659 0.148105 P\n0.755774 0.590630 0.641435 P\n0.253182 0.404715 0.357852 P\n0.247560 0.406690 0.857201 P\n0.237392 0.957283 0.134934 C\n0.236506 0.957761 0.635128 C\n0.735323 0.038148 0.373920 C\n0.753183 0.061231 0.851625 C\n0.714718 0.894313 0.351614 O\n0.749442 0.917908 0.822676 O\n0.244461 0.928624 0.011087 O\n0.236220 0.927208 0.512538 O\n0.252330 0.846161 0.221776 O\n0.254448 0.846662 0.722967 O\n0.935321 0.682159 0.110557 O\n0.569750 0.668541 0.093480 O\n0.934153 0.693378 0.601914 O\n0.570391 0.681286 0.592427 O\n0.737295 0.569165 0.300345 O\n0.269778 0.569621 0.410377 O\n0.748170 0.572563 0.793200 O\n0.249941 0.567958 0.916005 O\n0.771934 0.417851 0.095161 O\n0.228137 0.419755 0.206310 O\n0.767186 0.428842 0.583967 O\n0.222761 0.426571 0.705948 O\n0.437371 0.304946 0.390383 O\n0.076492 0.313425 0.417108 O\n0.436873 0.312692 0.888342 O\n0.076327 0.307191 0.914264 O\n0.750750 0.136072 0.275388 O\n0.768398 0.164826 0.758328 O\n0.744037 0.087041 0.492145 O\n0.742357 0.104515 0.971382 O\n0.216960 0.096185 0.175273 O\n0.220091 0.096938 0.675512 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7739381400489855,
"density_atomic": 0.08522498938905448,
"volume": 610.149679956175,
"volume_molar": 7.06616780262507,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -377.31558938,
"energy_per_atom": -7.256069026538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.40758938,
"band_gap": 2.1898,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0038326,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.442000Z",
"spacegroup": 1
},
{
"id": "mp-1290754",
"created_at": "2022-09-04T14:46:17.610771Z",
"structure_string": "Li4 Ti2 Fe6 O16\n1.0\n0.083685 -3.493245 4.936040\n5.986677 -0.051301 0.065538\n-0.005792 6.849899 4.839485\nLi Ti Fe O\n4 2 6 16\ndirect\n0.997209 0.242206 0.131935 Li\n0.499862 0.744694 0.631321 Li\n0.000752 0.754270 0.869066 Li\n0.501402 0.256237 0.368522 Li\n0.009667 0.999466 0.500917 Ti\n0.509084 0.504637 0.998625 Ti\n0.495847 0.002000 0.000394 Fe\n0.748628 0.246974 0.748032 Fe\n0.749138 0.752175 0.252653 Fe\n0.995183 0.497237 0.499626 Fe\n0.248863 0.746811 0.247893 Fe\n0.248962 0.252567 0.752807 Fe\n0.002116 0.519701 0.271462 O\n0.501667 0.021283 0.771741 O\n0.994118 0.479334 0.727944 O\n0.494286 0.980593 0.228047 O\n0.230360 0.761605 0.491230 O\n0.728783 0.263032 0.991137 O\n0.783673 0.744460 0.495886 O\n0.283012 0.247143 0.995899 O\n0.992791 0.973728 0.266128 O\n0.492575 0.475664 0.765251 O\n0.007329 0.024108 0.734993 O\n0.507409 0.525317 0.233954 O\n0.216554 0.254045 0.504596 O\n0.717042 0.756452 0.004509 O\n0.771820 0.236063 0.507954 O\n0.271870 0.738197 0.007476 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 3.9086979865708322,
"density_atomic": 0.09223660728144732,
"volume": 303.5671066538891,
"volume_molar": 6.5290137370559025,
"formula_full": "Li4 Ti2 Fe6 O16",
"formula_reduced": "Li2TiFe3O8",
"formula_anonymous": "AB2C3D8",
"energy": -213.54008112,
"energy_per_atom": -7.626431468571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.01208112,
"band_gap": 0.3517999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.549000Z",
"spacegroup": 1
},
{
"id": "mp-1235325",
"created_at": "2022-09-04T14:46:17.621170Z",
"structure_string": "Li1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.850579 -0.012416 0.021095\n-0.015426 5.979762 0.109105\n0.033489 0.154058 8.148702\nLi La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.966165 0.738858 0.590502 Li\n0.492697 0.459875 0.758701 La\n0.995997 0.037948 0.245841 La\n0.037170 0.395815 0.463315 Co\n0.505446 0.990452 0.002764 Co\n0.987052 0.521506 0.000242 Sb\n0.507270 0.992653 0.503901 Sb\n0.498767 0.549150 0.263229 Pb\n0.023685 0.056613 0.798658 Pb\n0.586553 0.976740 0.253857 O\n0.076049 0.517249 0.758304 O\n0.452142 0.037642 0.750180 O\n0.912297 0.477433 0.240110 O\n0.214831 0.834171 0.451692 O\n0.713819 0.712531 0.951883 O\n0.819723 0.129674 0.520466 O\n0.232634 0.277906 0.025942 O\n0.362002 0.296154 0.486361 O\n0.763280 0.256045 0.961704 O\n0.652914 0.690927 0.540538 O\n0.187602 0.790242 0.040142 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Li",
"La",
"Co",
"Sb",
"Pb",
"O"
],
"chemical_system": "Co-La-Li-O-Pb-Sb",
"density": 7.298359312080788,
"density_atomic": 0.07368972053425271,
"volume": 284.9786896700023,
"volume_molar": 8.172294203776723,
"formula_full": "Li1 La2 Co2 Sb2 Pb2 O12",
"formula_reduced": "LiLa2Co2Sb2(PbO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -144.23369914,
"energy_per_atom": -6.868271387619048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.71369914,
"band_gap": 0.0195999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0023067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.471000Z",
"spacegroup": 1
},
{
"id": "mp-1245179",
"created_at": "2022-09-04T14:46:17.935463Z",
"structure_string": "Cr16 Fe16 O48\n1.0\n9.953445 -0.192197 0.196482\n-0.191132 9.963868 0.070819\n0.164483 0.058708 10.002221\nCr Fe O\n16 16 48\ndirect\n0.648274 0.256048 0.733806 Cr\n0.545265 0.121742 0.953456 Cr\n0.715938 0.149554 0.429742 Cr\n0.239688 0.173555 0.125042 Cr\n0.889034 0.376346 0.463920 Cr\n0.372343 0.697145 0.423485 Cr\n0.203307 0.962813 0.807131 Cr\n0.358537 0.246469 0.668997 Cr\n0.217797 0.011372 0.398763 Cr\n0.527131 0.370662 0.387381 Cr\n0.489459 0.812073 0.835306 Cr\n0.043456 0.670800 0.689944 Cr\n0.839439 0.460882 0.748587 Cr\n0.928369 0.169838 0.929050 Cr\n0.914258 0.978246 0.376859 Cr\n0.727817 0.759640 0.603925 Cr\n0.440561 0.419232 0.984091 Fe\n0.510786 0.676495 0.125732 Fe\n0.931515 0.095059 0.614651 Fe\n0.710839 0.826968 0.246823 Fe\n0.301178 0.478112 0.220536 Fe\n0.747159 0.909855 0.933236 Fe\n0.873786 0.629198 0.023176 Fe\n0.222233 0.673281 0.995831 Fe\n0.991134 0.663111 0.408554 Fe\n0.697769 0.345249 0.146031 Fe\n0.043906 0.394634 0.143382 Fe\n0.518111 0.042205 0.248910 Fe\n0.175164 0.460810 0.487506 Fe\n0.048176 0.901122 0.093709 Fe\n0.521346 0.523996 0.690820 Fe\n0.165064 0.410082 0.821020 Fe\n0.304302 0.879170 0.436845 O\n0.279055 0.134767 0.489755 O\n0.371729 0.398590 0.797569 O\n0.778885 0.988119 0.541971 O\n0.724991 0.342817 0.359136 O\n0.643855 0.402893 0.840768 O\n0.737240 0.014460 0.288273 O\n0.033190 0.710854 0.091258 O\n0.975018 0.351947 0.849771 O\n0.528319 0.176077 0.401594 O\n0.859398 0.456854 0.102598 O\n0.718035 0.733774 0.076884 O\n0.364328 0.488154 0.407165 O\n0.452462 0.653457 0.926360 O\n0.662577 0.831148 0.770469 O\n0.031157 0.466160 0.345973 O\n0.710320 0.567307 0.641417 O\n0.361069 0.891327 0.751230 O\n0.079563 0.208512 0.050989 O\n0.178079 0.651653 0.509744 O\n0.101237 0.846244 0.738891 O\n0.505984 0.144856 0.752598 O\n0.535355 0.783308 0.310913 O\n0.973841 0.493136 0.599439 O\n0.734075 0.144904 0.865422 O\n0.995559 0.072715 0.781295 O\n0.802242 0.275659 0.626216 O\n0.210278 0.910821 0.981948 O\n0.316180 0.044714 0.236832 O\n0.615035 0.167987 0.119936 O\n0.517640 0.452260 0.176486 O\n0.170125 0.596718 0.814578 O\n0.193686 0.343403 0.630631 O\n0.523136 0.354744 0.588620 O\n0.920437 0.183733 0.427341 O\n0.078529 0.991268 0.259667 O\n0.381492 0.210776 0.015038 O\n0.913292 0.752383 0.577393 O\n0.483661 0.681345 0.592180 O\n0.870351 0.789277 0.327034 O\n0.901339 0.986695 0.023546 O\n0.061656 0.984993 0.501414 O\n0.240105 0.299937 0.254828 O\n0.896107 0.627440 0.833032 O\n0.225533 0.464775 0.044521 O\n0.247087 0.128818 0.785116 O\n0.536688 0.928044 0.980046 O\n0.316423 0.665683 0.213434 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-O",
"density": 4.177055683186698,
"density_atomic": 0.0807075535349595,
"volume": 991.2331187854305,
"volume_molar": 7.461681709124578,
"formula_full": "Cr16 Fe16 O48",
"formula_reduced": "CrFeO3",
"formula_anonymous": "ABC3",
"energy": -658.49708674,
"energy_per_atom": -8.23121358425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -557.44108674,
"band_gap": 0.4255,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 111.9999424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.417000Z",
"spacegroup": 1
},
{
"id": "mp-779457",
"created_at": "2022-09-04T14:46:17.921655Z",
"structure_string": "Ge8 N8 O4\n1.0\n5.468760 0.000000 0.000000\n-2.591140 -4.986111 0.000000\n-2.693224 1.342713 -10.034540\nGe N O\n8 8 4\ndirect\n0.539942 0.991911 0.934184 Ge\n0.753256 0.900400 0.688445 Ge\n0.373228 0.740664 0.181182 Ge\n0.862286 0.641192 0.932934 Ge\n0.539850 0.486245 0.431621 Ge\n0.719860 0.393638 0.186183 Ge\n0.353574 0.257625 0.684994 Ge\n0.860621 0.135167 0.433340 Ge\n0.648810 0.832922 0.505309 N\n0.249956 0.742372 0.997508 N\n0.688767 0.576760 0.752846 N\n0.480430 0.484970 0.247249 N\n0.663427 0.337993 0.006298 N\n0.095235 0.171579 0.773283 N\n0.251047 0.238297 0.499065 N\n0.687929 0.078065 0.252756 N\n0.495779 0.992923 0.751130 O\n0.079489 0.669634 0.248667 O\n0.833792 0.417124 0.494569 O\n0.823122 0.911316 0.998438 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O",
"density": 4.595099381684066,
"density_atomic": 0.07309399853627126,
"volume": 273.6202752689121,
"volume_molar": 8.23889906229668,
"formula_full": "Ge8 N8 O4",
"formula_reduced": "Ge2N2O",
"formula_anonymous": "AB2C2",
"energy": -137.73099439,
"energy_per_atom": -6.8865497195000005,
"energy_above_hull": null,
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"energy_uncorrected": -132.09499439,
"band_gap": 1.7353,
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"total_magnetization": 1.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.864000Z",
"spacegroup": 1
},
{
"id": "mp-1177078",
"created_at": "2022-09-04T14:46:17.979142Z",
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{
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{
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"id": "mp-759820",
"created_at": "2022-09-04T14:46:18.227573Z",
"structure_string": "Li3 V3 Fe3 P12 O42\n1.0\n7.161169 0.000000 0.000000\n0.008859 8.090558 0.000000\n1.727398 0.041164 13.595960\nLi V Fe P O\n3 3 3 12 42\ndirect\n0.160310 0.864041 0.166346 Li\n0.825895 0.864142 0.500411 Li\n0.839587 0.361236 0.832205 Li\n0.117729 0.494363 0.162777 V\n0.782309 0.495210 0.494867 V\n0.443221 0.507032 0.829167 V\n0.561393 0.010016 0.170599 Fe\n0.230782 0.008381 0.505904 Fe\n0.886043 0.994040 0.837989 Fe\n0.869466 0.779311 0.043754 P\n0.478481 0.677673 0.041431 P\n0.795866 0.284303 0.288795 P\n0.183743 0.179204 0.294033 P\n0.536313 0.780535 0.375610 P\n0.145788 0.679040 0.374868 P\n0.849380 0.181066 0.626672 P\n0.461817 0.285658 0.624107 P\n0.816010 0.681657 0.706522 P\n0.205328 0.781780 0.709873 P\n0.520348 0.177638 0.959099 P\n0.132268 0.284083 0.955882 P\n0.696439 0.647789 0.052987 O\n0.813660 0.932021 0.106475 O\n0.538474 0.179395 0.068019 O\n0.420330 0.846910 0.084150 O\n0.371130 0.536932 0.098273 O\n0.868101 0.436396 0.227609 O\n0.083619 0.332061 0.064938 O\n0.962641 0.148795 0.283214 O\n0.028391 0.685400 0.086561 O\n0.633288 0.192512 0.254541 O\n0.588176 0.823577 0.267857 O\n0.281672 0.040446 0.231359 O\n0.232144 0.350844 0.247955 O\n0.131032 0.674868 0.262925 O\n0.749015 0.334668 0.397734 O\n0.696019 0.686546 0.418113 O\n0.363571 0.648638 0.386377 O\n0.480995 0.931935 0.439947 O\n0.208345 0.177201 0.401700 O\n0.948344 0.040575 0.566706 O\n0.898814 0.351745 0.580151 O\n0.087521 0.847878 0.418909 O\n0.037829 0.537588 0.430193 O\n0.796461 0.673307 0.595353 O\n0.534566 0.436309 0.561422 O\n0.629126 0.149781 0.617463 O\n0.299477 0.193391 0.589674 O\n0.256329 0.825363 0.601825 O\n0.874957 0.184616 0.735259 O\n0.761607 0.851195 0.746941 O\n0.712778 0.539457 0.765931 O\n0.417871 0.339146 0.732491 O\n0.363009 0.680985 0.747805 O\n0.966361 0.200091 0.917401 O\n0.032779 0.646233 0.718333 O\n0.924449 0.818604 0.935700 O\n0.140532 0.930425 0.773352 O\n0.624659 0.040206 0.900557 O\n0.571682 0.348092 0.910080 O\n0.462633 0.665272 0.930356 O\n0.194635 0.438127 0.893425 O\n0.297837 0.150229 0.948366 O\n",
"nsites": 63,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P-V",
"density": 2.91928964244648,
"density_atomic": 0.0799775825315609,
"volume": 787.7207338086123,
"volume_molar": 7.529785934231674,
"formula_full": "Li3 V3 Fe3 P12 O42",
"formula_reduced": "LiVFe(P2O7)2",
"formula_anonymous": "ABCD4E14",
"energy": -492.82164376,
"energy_per_atom": -7.822565773968254,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -452.09964376,
"band_gap": 1.3514,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0009749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.452000Z",
"spacegroup": 1
}
]
}