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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=60",
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"results": [
{
"id": "mp-695699",
"created_at": "2022-09-04T14:39:32.907737Z",
"structure_string": "Te4 As2 S8 N8 Cl6 F12\n1.0\n10.188150 0.000000 0.000000\n-0.268551 10.615532 0.000000\n-4.485913 -3.480627 9.043600\nTe As S N Cl F\n4 2 8 8 6 12\ndirect\n0.985340 0.275801 0.736596 Te\n0.426990 0.677290 0.151315 Te\n0.556568 0.310067 0.848910 Te\n0.012839 0.723590 0.256632 Te\n0.767615 0.673984 0.755528 As\n0.241163 0.291595 0.249519 As\n0.965286 0.685480 0.456671 S\n0.723654 0.221533 0.427630 S\n0.479727 0.799810 0.009564 S\n0.772458 0.129950 0.974240 S\n0.234062 0.882670 0.041761 S\n0.519698 0.195870 0.005275 S\n0.268595 0.757046 0.562899 S\n0.019464 0.333042 0.541533 S\n0.854498 0.280628 0.408089 N\n0.653397 0.111824 0.027924 N\n0.772462 0.223051 0.587951 N\n0.740844 0.229827 0.888543 N\n0.249365 0.771971 0.112065 N\n0.226042 0.762273 0.406566 N\n0.354250 0.893530 0.986593 N\n0.133349 0.718684 0.587790 N\n0.954574 0.961944 0.319392 Cl\n0.667184 0.586825 0.122841 Cl\n0.586457 0.841137 0.392457 Cl\n0.407421 0.139366 0.614737 Cl\n0.291701 0.405081 0.863021 Cl\n0.037341 0.054205 0.705835 Cl\n0.925181 0.737371 0.755482 F\n0.702171 0.569160 0.571843 F\n0.832099 0.778623 0.940008 F\n0.772626 0.534308 0.806156 F\n0.614906 0.749119 0.710081 F\n0.423703 0.284302 0.270178 F\n0.251430 0.443331 0.214255 F\n0.168451 0.198587 0.055448 F\n0.310678 0.386371 0.441285 F\n0.237680 0.137592 0.281317 F\n0.059291 0.294540 0.228403 F\n0.984840 0.523423 0.158766 F\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Te",
"As",
"S",
"N",
"Cl",
"F"
],
"chemical_system": "As-Cl-F-N-S-Te",
"density": 2.4948524751710535,
"density_atomic": 0.04089606777499833,
"volume": 978.0891458824768,
"volume_molar": 14.725476280831126,
"formula_full": "Te4 As2 S8 N8 Cl6 F12",
"formula_reduced": "Te2AsS4N4(ClF2)3",
"formula_anonymous": "AB2C3D4E4F6",
"energy": -190.61574713,
"energy_per_atom": -4.76539367825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -181.38774713,
"band_gap": 0.7736999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.323000Z",
"spacegroup": 1
},
{
"id": "mp-1224824",
"created_at": "2022-09-04T14:39:33.242123Z",
"structure_string": "Mn20 Cu4 Te48 O120\n1.0\n8.941920 -0.083347 -0.000012\n-0.083353 8.943765 13.070142\n0.166657 -17.882760 13.066898\nMn Cu Te O\n20 4 48 120\ndirect\n0.249780 0.749474 0.749705 Mn\n0.250182 0.416093 0.083077 Mn\n0.250039 0.082826 0.416381 Mn\n0.749895 0.916557 0.583276 Mn\n0.750009 0.582137 0.916116 Mn\n0.750070 0.249850 0.249928 Mn\n0.750084 0.583578 0.416791 Mn\n0.750014 0.251104 0.750557 Mn\n0.749965 0.916820 0.083428 Mn\n0.249896 0.417281 0.583629 Mn\n0.249976 0.083825 0.917036 Mn\n0.250071 0.750558 0.250262 Mn\n0.750028 0.083326 0.166678 Mn\n0.750071 0.750030 0.500014 Mn\n0.750056 0.749690 0.999888 Mn\n0.750036 0.416694 0.333284 Mn\n0.749947 0.083622 0.666844 Mn\n0.249983 0.583308 0.166413 Mn\n0.250141 0.250019 0.500215 Mn\n0.249712 0.916608 0.833416 Mn\n0.249660 0.249851 0.000091 Cu\n0.250087 0.916674 0.333374 Cu\n0.250488 0.583468 0.666579 Cu\n0.749984 0.416673 0.833305 Cu\n0.570676 0.423300 0.695174 Te\n0.566200 0.089052 0.027563 Te\n0.566247 0.755713 0.360920 Te\n0.432222 0.590570 0.527634 Te\n0.430968 0.257206 0.861364 Te\n0.432228 0.923953 0.194247 Te\n0.067836 0.733734 0.384567 Te\n0.068959 0.400961 0.717698 Te\n0.067788 0.066994 0.051189 Te\n0.933815 0.566413 0.550280 Te\n0.929307 0.234698 0.883782 Te\n0.933684 0.899743 0.216907 Te\n0.536531 0.764497 0.850326 Te\n0.535300 0.432157 0.183956 Te\n0.535387 0.099009 0.517510 Te\n0.462145 0.931080 0.684267 Te\n0.462319 0.597751 0.017289 Te\n0.462161 0.264639 0.350782 Te\n0.037853 0.055920 0.559572 Te\n0.037605 0.722442 0.892780 Te\n0.037883 0.389272 0.225944 Te\n0.964713 0.889593 0.726920 Te\n0.963461 0.555292 0.059571 Te\n0.964653 0.222758 0.393479 Te\n0.436127 0.244695 0.640441 Te\n0.435917 0.910477 0.972897 Te\n0.435813 0.577359 0.306272 Te\n0.562490 0.077387 0.807512 Te\n0.563049 0.743698 0.140641 Te\n0.563324 0.410536 0.474075 Te\n0.936841 0.935595 0.948905 Te\n0.936819 0.602304 0.282240 Te\n0.937457 0.269130 0.615709 Te\n0.063845 0.102161 0.782886 Te\n0.064068 0.767416 0.116004 Te\n0.064255 0.434297 0.449420 Te\n0.465879 0.900172 0.483257 Te\n0.467099 0.564150 0.817344 Te\n0.465939 0.233424 0.149984 Te\n0.535816 0.731789 0.649824 Te\n0.533996 0.397992 0.983538 Te\n0.535505 0.065190 0.316514 Te\n0.965945 0.610750 0.770848 Te\n0.964217 0.277018 0.104514 Te\n0.964525 0.943813 0.437964 Te\n0.034074 0.777736 0.605645 Te\n0.032929 0.444519 0.936957 Te\n0.034079 0.111018 0.272304 Te\n0.117505 0.483391 0.654852 O\n0.114396 0.150537 0.988905 O\n0.114716 0.817229 0.322273 O\n0.895302 0.646020 0.486098 O\n0.883914 0.317043 0.821180 O\n0.895136 0.979301 0.152692 O\n0.604735 0.696629 0.435398 O\n0.615953 0.367297 0.770962 O\n0.604715 0.030006 0.102027 O\n0.385651 0.535375 0.604102 O\n0.382575 0.200869 0.937277 O\n0.385253 0.868779 0.270714 O\n0.670788 0.955994 0.676433 O\n0.671133 0.622193 0.009631 O\n0.670921 0.289276 0.343053 O\n0.328663 0.788594 0.843452 O\n0.327473 0.456166 0.177139 O\n0.327669 0.123007 0.510422 O\n0.172514 0.888259 0.745228 O\n0.171350 0.554096 0.077880 O\n0.172349 0.221481 0.411834 O\n0.829113 0.053809 0.578610 O\n0.828827 0.720238 0.911640 O\n0.829216 0.387116 0.245103 O\n0.897053 0.188428 0.679724 O\n0.896740 0.854750 0.012852 O\n0.896818 0.521507 0.346231 O\n0.101455 0.021494 0.846545 O\n0.102259 0.686953 0.179640 O\n0.102258 0.353682 0.512977 O\n0.397657 0.968484 0.898041 O\n0.397973 0.635290 0.231364 O\n0.398685 0.302630 0.565416 O\n0.602819 0.135829 0.732369 O\n0.603179 0.802118 0.065463 O\n0.603188 0.468866 0.398862 O\n0.327720 0.702097 0.658542 O\n0.325757 0.368892 0.992878 O\n0.327371 0.035469 0.325094 O\n0.673909 0.877080 0.490943 O\n0.674608 0.535802 0.825908 O\n0.673975 0.210411 0.157572 O\n0.826063 0.780210 0.587768 O\n0.825408 0.446508 0.915199 O\n0.826026 0.113642 0.254396 O\n0.174187 0.613502 0.748291 O\n0.172274 0.278782 0.081850 O\n0.172670 0.945303 0.415285 O\n0.380502 0.371261 0.678841 O\n0.376635 0.038020 0.009946 O\n0.376530 0.704875 0.343230 O\n0.621561 0.538698 0.511009 O\n0.620054 0.204896 0.844742 O\n0.621575 0.872161 0.177696 O\n0.878528 0.694303 0.355495 O\n0.879919 0.361263 0.688357 O\n0.878424 0.027656 0.022184 O\n0.123483 0.525950 0.522143 O\n0.119488 0.195610 0.854527 O\n0.123322 0.859235 0.188770 O\n0.520133 0.990501 0.558427 O\n0.524549 0.655359 0.891224 O\n0.520240 0.323640 0.224970 O\n0.473947 0.821428 0.724343 O\n0.473190 0.488897 0.058001 O\n0.473806 0.155265 0.390895 O\n0.026671 0.740300 0.806634 O\n0.026220 0.406308 0.139508 O\n0.026173 0.072799 0.473226 O\n0.979775 0.907956 0.640905 O\n0.975437 0.573406 0.973186 O\n0.979824 0.241171 0.307460 O\n0.627065 0.294106 0.659330 O\n0.626207 0.960712 0.990396 O\n0.626189 0.627504 0.323832 O\n0.372162 0.126700 0.826689 O\n0.373597 0.793955 0.160009 O\n0.373614 0.460545 0.493344 O\n0.126418 0.978056 0.975941 O\n0.126440 0.644654 0.309196 O\n0.127786 0.311119 0.642247 O\n0.872915 0.143808 0.809590 O\n0.873748 0.807446 0.143628 O\n0.873865 0.474274 0.477107 O\n0.486643 0.673098 0.776762 O\n0.481519 0.342368 0.109575 O\n0.481527 0.009114 0.442900 O\n0.516973 0.840561 0.609660 O\n0.515385 0.506974 0.943378 O\n0.516708 0.173960 0.276266 O\n0.983123 0.926281 0.523889 O\n0.984508 0.593553 0.856896 O\n0.983269 0.259837 0.190456 O\n0.018524 0.760342 0.691763 O\n0.013292 0.426743 0.023133 O\n0.018555 0.093486 0.358405 O\n0.552916 0.684267 0.565690 O\n0.546284 0.348713 0.901288 O\n0.552765 0.017657 0.232423 O\n0.455813 0.514655 0.735287 O\n0.454617 0.181738 0.068272 O\n0.454619 0.848421 0.401636 O\n0.045419 0.651593 0.598521 O\n0.044123 0.318636 0.931335 O\n0.045268 0.984916 0.265083 O\n0.947252 0.815732 0.434276 O\n0.953614 0.484626 0.765443 O\n0.947200 0.149065 0.100995 O\n0.054300 0.851544 0.898672 O\n0.054014 0.518007 0.231904 O\n0.054155 0.184577 0.565251 O\n0.947284 0.017862 0.732947 O\n0.947942 0.683670 0.065448 O\n0.947486 0.350864 0.399150 O\n0.552757 0.149920 0.600952 O\n0.552055 0.815162 0.933952 O\n0.552567 0.482468 0.267461 O\n0.445881 0.981769 0.768005 O\n0.445689 0.648765 0.101334 O\n0.445925 0.315341 0.434746 O\n",
"nsites": 192,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-Mn-O-Te",
"density": 4.978145457486741,
"density_atomic": 0.061249054480148786,
"volume": 3134.7422687517314,
"volume_molar": 9.832218327471185,
"formula_full": "Mn20 Cu4 Te48 O120",
"formula_reduced": "Mn5Cu(Te2O5)6",
"formula_anonymous": "AB5C12D30",
"energy": -1254.87751416,
"energy_per_atom": -6.535820386249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1139.07751416,
"band_gap": 0.3717999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 96.0000367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.790000Z",
"spacegroup": 1
},
{
"id": "mp-1074276",
"created_at": "2022-09-04T14:39:33.255411Z",
"structure_string": "Mg8 Si6\n1.0\n5.858768 0.000000 0.000000\n-1.797210 7.037506 0.000000\n-1.317178 -3.354963 6.569608\nMg Si\n8 6\ndirect\n0.184727 0.453384 0.321650 Mg\n0.904641 0.981433 0.162929 Mg\n0.352937 0.234990 0.656649 Mg\n0.067153 0.528887 0.928438 Mg\n0.630333 0.529654 0.146113 Mg\n0.149281 0.805461 0.684487 Mg\n0.695460 0.941992 0.546036 Mg\n0.449118 0.087061 0.200947 Mg\n0.506412 0.688872 0.832232 Si\n0.898323 0.314153 0.517238 Si\n0.696135 0.150393 0.928866 Si\n0.179791 0.821950 0.330533 Si\n0.655540 0.539864 0.547471 Si\n0.130051 0.171847 0.946252 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2250252940707282,
"density_atomic": 0.05168487856036131,
"volume": 270.8722626415731,
"volume_molar": 11.651649240051734,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -44.83143575,
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"energy_uncorrected": -45.25743575,
"band_gap": 0.0,
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"total_magnetization": 0.0011476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.150000Z",
"spacegroup": 1
},
{
"id": "mp-764009",
"created_at": "2022-09-04T14:39:33.204728Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.728833 0.000000 0.000000\n0.350057 5.581345 0.000000\n0.392165 0.696411 7.687371\nMn O F\n6 7 5\ndirect\n0.466927 0.483596 0.992838 Mn\n0.507495 0.826366 0.670159 Mn\n0.538800 0.180201 0.330443 Mn\n0.987080 0.348833 0.672790 Mn\n0.983870 0.652119 0.332953 Mn\n0.014940 0.010294 0.999303 Mn\n0.818820 0.376200 0.448651 O\n0.696976 0.204342 0.093754 O\n0.684328 0.535557 0.774512 O\n0.696649 0.870448 0.437432 O\n0.310659 0.459173 0.230671 O\n0.300876 0.793387 0.896682 O\n0.191275 0.292586 0.890022 O\n0.803267 0.038597 0.759911 F\n0.803085 0.712755 0.089085 F\n0.304980 0.134163 0.566110 F\n0.203438 0.633164 0.570979 F\n0.186533 0.948218 0.243704 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.391795386945808,
"density_atomic": 0.08871597269486835,
"volume": 202.89469250266345,
"volume_molar": 6.788113320599756,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -139.18696738,
"energy_per_atom": -7.732609298888889,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -122.05996738000002,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 23.0021658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.513000Z",
"spacegroup": 1
},
{
"id": "mp-1234260",
"created_at": "2022-09-04T14:39:33.344922Z",
"structure_string": "Mg1 Mn3 V1 Cr2 P6 O24\n1.0\n8.606677 -0.145588 -0.180417\n4.398698 -7.585270 -0.004530\n4.463541 -2.506291 -7.156266\nMg Mn V Cr P O\n1 3 1 2 6 24\ndirect\n0.254734 0.628456 0.244791 Mg\n0.045705 0.652017 0.655571 Mn\n0.458994 0.860065 0.838925 Mn\n0.936621 0.351164 0.351732 Mn\n0.566333 0.137165 0.151206 V\n0.996238 0.007032 0.992676 Cr\n0.504591 0.495537 0.504670 Cr\n0.254952 0.239981 0.549025 P\n0.249577 0.954516 0.248884 P\n0.239861 0.540386 0.960099 P\n0.724650 0.448883 0.069188 P\n0.756099 0.060347 0.747571 P\n0.777344 0.741503 0.426077 P\n0.063545 0.104853 0.322229 O\n0.051148 0.495737 0.096330 O\n0.081284 0.321450 0.495049 O\n0.211723 0.102653 0.756309 O\n0.440956 0.142305 0.411042 O\n0.298462 0.407989 0.529848 O\n0.212857 0.925486 0.106666 O\n0.289433 0.744956 0.392340 O\n0.525592 0.592244 0.055008 O\n0.295002 0.555643 0.754348 O\n0.767014 0.245910 0.078386 O\n0.569422 0.029061 0.818305 O\n0.431677 0.996362 0.174925 O\n0.199229 0.735784 0.970242 O\n0.702110 0.425683 0.267686 O\n0.402491 0.392793 0.034580 O\n0.727848 0.262747 0.590527 O\n0.778950 0.086653 0.900333 O\n0.732689 0.591381 0.419082 O\n0.619185 0.796517 0.597612 O\n0.787709 0.901967 0.230002 O\n0.980498 0.675346 0.427683 O\n0.888731 0.510505 0.902208 O\n0.942365 0.910354 0.678844 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Mn",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Mg-Mn-O-P-V",
"density": 3.3105590417165884,
"density_atomic": 0.08071686999888757,
"volume": 458.39240298230015,
"volume_molar": 7.46082047047042,
"formula_full": "Mg1 Mn3 V1 Cr2 P6 O24",
"formula_reduced": "MgMn3VCr2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -302.60612912,
"energy_per_atom": -8.17854403027027,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -275.41612912,
"band_gap": 0.5122,
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"is_magnetic": true,
"total_magnetization": 22.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.237000Z",
"spacegroup": 1
},
{
"id": "mp-1294540",
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"id": "mp-1217481",
"created_at": "2022-09-04T14:39:33.478712Z",
"structure_string": "Tl8 P8 N8 O18\n1.0\n9.390790 0.000000 0.000000\n4.115852 9.050541 0.000000\n1.424319 1.524358 10.360829\nTl P N O\n8 8 8 18\ndirect\n0.554253 0.123978 0.568792 Tl\n0.423188 0.867612 0.434450 Tl\n0.497459 0.002598 0.000167 Tl\n0.070106 0.341646 0.879283 Tl\n0.931018 0.659700 0.117101 Tl\n0.399151 0.372499 0.097015 Tl\n0.597554 0.634526 0.915096 Tl\n0.655989 0.472674 0.516679 Tl\n0.753415 0.027752 0.232523 P\n0.245641 0.973600 0.764685 P\n0.793727 0.329252 0.195888 P\n0.211373 0.669499 0.803718 P\n0.144770 0.158164 0.239966 P\n0.858249 0.841049 0.756656 P\n0.894902 0.142420 0.713639 P\n0.105637 0.855380 0.286394 P\n0.754774 0.190857 0.169058 N\n0.246005 0.810288 0.831009 N\n0.961847 0.268563 0.258662 N\n0.042259 0.728834 0.740742 N\n0.159553 0.991968 0.221349 N\n0.839567 0.006907 0.778619 N\n0.914787 0.922840 0.304470 N\n0.085180 0.073010 0.690193 N\n0.249888 0.055808 0.871363 O\n0.748183 0.947896 0.124576 O\n0.817269 0.200559 0.584414 O\n0.177329 0.804153 0.416721 O\n0.852786 0.259210 0.801770 O\n0.150303 0.739572 0.197274 O\n0.214245 0.219348 0.114222 O\n0.789914 0.774534 0.880113 O\n0.807843 0.422448 0.065185 O\n0.190791 0.578822 0.934091 O\n0.230226 0.136126 0.359242 O\n0.775431 0.864394 0.635602 O\n0.612942 0.059602 0.329936 O\n0.387759 0.941452 0.668161 O\n0.483244 0.206866 0.934001 O\n0.515718 0.797341 0.068669 O\n0.661547 0.409703 0.289610 O\n0.346637 0.589869 0.713418 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Tl",
"P",
"N",
"O"
],
"chemical_system": "N-O-P-Tl",
"density": 4.3049159511270165,
"density_atomic": 0.04769557792696608,
"volume": 880.5847800882622,
"volume_molar": 12.626203563821809,
"formula_full": "Tl8 P8 N8 O18",
"formula_reduced": "Tl4P4N4O9",
"formula_anonymous": "A4B4C4D9",
"energy": -269.8041889,
"energy_per_atom": -6.423909259523809,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.5501889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0055833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.630000Z",
"spacegroup": 1
}
]
}