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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10137",
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"results": [
{
"id": "mp-1218208",
"created_at": "2022-09-04T14:40:03.586230Z",
"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.650880 0.000000 0.000000\n0.000000 5.640667 0.000000\n0.000000 5.601343 7.948101\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.226310 0.245069 0.250969 Sr\n0.773690 0.245069 0.750969 Sr\n0.282352 0.760009 0.750471 La\n0.717648 0.760009 0.250471 La\n0.752773 0.500093 0.000650 Mg\n0.247227 0.500093 0.500650 Mg\n0.751157 0.999202 0.500428 Ru\n0.248843 0.999202 0.000428 Ru\n0.961853 0.766589 0.457646 O\n0.038147 0.766589 0.957646 O\n0.526616 0.226072 0.538128 O\n0.473384 0.226072 0.038128 O\n0.028849 0.166319 0.542035 O\n0.971151 0.166319 0.042035 O\n0.484182 0.817591 0.459868 O\n0.515818 0.817591 0.959868 O\n0.760334 0.327624 0.256780 O\n0.239666 0.327624 0.756780 O\n0.732589 0.691432 0.743026 O\n0.267411 0.691432 0.243026 O\n",
"nsites": 20,
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"elements": [
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"La",
"Mg",
"Ru",
"O"
],
"chemical_system": "La-Mg-O-Ru-Sr",
"density": 5.871474740549627,
"density_atomic": 0.07894417160940105,
"volume": 253.3435919621241,
"volume_molar": 7.62835385719958,
"formula_full": "Sr2 La2 Mg2 Ru2 O12",
"formula_reduced": "SrLaMgRuO6",
"formula_anonymous": "ABCDE6",
"energy": -150.58160803,
"energy_per_atom": -7.529080401500001,
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"band_gap": 0.3373999999999997,
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"is_magnetic": true,
"total_magnetization": 5.9999171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.011000Z",
"spacegroup": 7
},
{
"id": "mp-1049203",
"created_at": "2022-09-04T14:40:05.034106Z",
"structure_string": "La2 Mg2 Cr2 Bi2 O12\n1.0\n5.760341 0.000000 0.000000\n0.000000 5.558809 0.000000\n0.000000 5.424050 8.121621\nLa Mg Cr Bi O\n2 2 2 2 12\ndirect\n0.306288 0.765093 0.247615 La\n0.693712 0.765093 0.747615 La\n0.799718 0.230264 0.250642 Mg\n0.200282 0.230264 0.750642 Mg\n0.244200 0.000776 0.499549 Cr\n0.755800 0.000776 0.999549 Cr\n0.245257 0.500076 0.998123 Bi\n0.754743 0.500076 0.498123 Bi\n0.833636 0.344781 0.765720 O\n0.031297 0.112263 0.073843 O\n0.055683 0.786755 0.430643 O\n0.583186 0.227363 0.073790 O\n0.554315 0.916518 0.429830 O\n0.296228 0.616110 0.730245 O\n0.166364 0.344781 0.265720 O\n0.968703 0.112263 0.573843 O\n0.944317 0.786755 0.930643 O\n0.416814 0.227363 0.573790 O\n0.445685 0.916518 0.929830 O\n0.703772 0.616110 0.230245 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-La-Mg-O",
"density": 6.642979198506607,
"density_atomic": 0.07690548779555108,
"volume": 260.05946484818975,
"volume_molar": 7.830573516430352,
"formula_full": "La2 Mg2 Cr2 Bi2 O12",
"formula_reduced": "LaMgCrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -149.44274217999998,
"energy_per_atom": -7.472137108999999,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -137.20074218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.707000Z",
"spacegroup": 7
},
{
"id": "mp-1221190",
"created_at": "2022-09-04T14:40:05.868759Z",
"structure_string": "Na4 U4 V4 O28\n1.0\n-7.055183 0.000000 3.099222\n0.000000 -8.590215 0.000000\n7.022517 0.000000 7.531574\nNa U V O\n4 4 4 28\ndirect\n0.989277 0.010515 0.490333 Na\n0.489277 0.489485 0.990333 Na\n0.317605 0.991700 0.845112 Na\n0.817605 0.508300 0.345112 Na\n0.688253 0.519965 0.678714 U\n0.809473 0.020002 0.819311 U\n0.309473 0.479998 0.319311 U\n0.188253 0.980035 0.178714 U\n0.470851 0.851627 0.560839 V\n0.030871 0.343971 0.935571 V\n0.530871 0.156029 0.435571 V\n0.970851 0.648373 0.060839 V\n0.270187 0.706462 0.892336 O\n0.257007 0.147747 0.638884 O\n0.757007 0.352253 0.138884 O\n0.770187 0.793538 0.392336 O\n0.668618 0.791383 0.709730 O\n0.832744 0.290182 0.783648 O\n0.332744 0.209818 0.283648 O\n0.168618 0.708617 0.209730 O\n0.526470 0.501721 0.773563 O\n0.988229 0.001237 0.735738 O\n0.488229 0.498763 0.235738 O\n0.026470 0.998279 0.273563 O\n0.282785 0.872537 0.606600 O\n0.222768 0.338154 0.899393 O\n0.722768 0.161846 0.399393 O\n0.782785 0.627463 0.106600 O\n0.463300 0.655626 0.493921 O\n0.018192 0.150468 0.006345 O\n0.518192 0.349532 0.506345 O\n0.963300 0.844374 0.993921 O\n0.432023 0.941509 0.385908 O\n0.080140 0.439637 0.109744 O\n0.580140 0.060363 0.609744 O\n0.932023 0.558491 0.885908 O\n0.847575 0.543469 0.581256 O\n0.630632 0.037624 0.898053 O\n0.130632 0.462376 0.398053 O\n0.347575 0.956531 0.081256 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Na",
"U",
"V",
"O"
],
"chemical_system": "Na-O-U-V",
"density": 4.3766152170801895,
"density_atomic": 0.062168230162679285,
"volume": 643.4154534451059,
"volume_molar": 9.686846069514136,
"formula_full": "Na4 U4 V4 O28",
"formula_reduced": "NaUVO7",
"formula_anonymous": "ABCD7",
"energy": -322.94454121,
"energy_per_atom": -8.07361353025,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -296.90854121,
"band_gap": 0.3384999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9671985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.411000Z",
"spacegroup": 7
},
{
"id": "mp-1223683",
"created_at": "2022-09-04T14:40:06.389155Z",
"structure_string": "K2 In2 As6 H14 O26\n1.0\n4.907188 0.000000 -0.393401\n0.000000 8.842782 0.000000\n0.019830 0.000000 14.308133\nK In As H O\n2 2 6 14 26\ndirect\n0.150651 0.005884 0.510528 K\n0.650651 0.994116 0.010528 K\n0.249600 0.228979 0.753440 In\n0.749600 0.771021 0.253440 In\n0.699560 0.346070 0.597968 As\n0.296323 0.642456 0.403739 As\n0.796323 0.357544 0.903739 As\n0.199560 0.653930 0.097968 As\n0.748290 0.957629 0.747293 As\n0.248290 0.042371 0.247293 As\n0.393097 0.338384 0.471660 H\n0.604084 0.676269 0.529174 H\n0.104084 0.323731 0.029174 H\n0.893097 0.661616 0.971660 H\n0.474950 0.770463 0.804833 H\n0.514452 0.231878 0.192452 H\n0.014452 0.768122 0.692452 H\n0.974950 0.229537 0.304833 H\n0.348133 0.586648 0.711068 H\n0.646759 0.415658 0.289111 H\n0.146759 0.584342 0.789111 H\n0.848133 0.413352 0.211068 H\n0.974960 0.498202 0.509462 H\n0.474960 0.501798 0.009462 H\n0.821191 0.518089 0.557222 O\n0.184702 0.475209 0.446455 O\n0.684702 0.524791 0.946455 O\n0.321191 0.481911 0.057222 O\n0.488010 0.053134 0.687725 O\n0.503277 0.949062 0.309790 O\n0.003277 0.050938 0.809790 O\n0.988010 0.946866 0.187725 O\n0.485418 0.399736 0.680603 O\n0.516557 0.598793 0.320134 O\n0.016557 0.401207 0.820134 O\n0.985418 0.600264 0.180603 O\n0.624129 0.839464 0.833386 O\n0.374820 0.159940 0.160914 O\n0.874820 0.840060 0.660914 O\n0.124129 0.160536 0.333386 O\n0.962865 0.226384 0.627872 O\n0.038038 0.768411 0.374711 O\n0.538038 0.231589 0.874711 O\n0.462865 0.773616 0.127872 O\n0.524055 0.257876 0.501105 O\n0.466642 0.745531 0.497550 O\n0.966642 0.254469 0.997550 O\n0.024055 0.742124 0.001105 O\n0.245037 0.655994 0.749905 O\n0.745037 0.344006 0.249905 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"K",
"In",
"As",
"H",
"O"
],
"chemical_system": "As-H-In-K-O",
"density": 3.1755169352632393,
"density_atomic": 0.08052248518097889,
"volume": 620.944570794383,
"volume_molar": 7.478831218963119,
"formula_full": "K2 In2 As6 H14 O26",
"formula_reduced": "KInAs3H7O13",
"formula_anonymous": "ABC3D7E13",
"energy": -292.45458428,
"energy_per_atom": -5.8490916856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -274.59258428,
"band_gap": 3.1941,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.411000Z",
"spacegroup": 7
},
{
"id": "mp-759508",
"created_at": "2022-09-04T14:40:06.826359Z",
"structure_string": "Li8 Mn8 O8 F16\n1.0\n8.953436 0.000000 0.000000\n0.000000 5.242718 0.000000\n0.000000 2.404904 10.163915\nLi Mn O F\n8 8 8 16\ndirect\n0.414614 0.252127 0.941469 Li\n0.585386 0.752127 0.941469 Li\n0.589854 0.144057 0.576113 Li\n0.410146 0.644057 0.576113 Li\n0.089452 0.326720 0.456647 Li\n0.910548 0.826720 0.456647 Li\n0.905326 0.260071 0.032171 Li\n0.094674 0.760071 0.032171 Li\n0.906903 0.066812 0.745278 Mn\n0.241749 0.068638 0.745284 Mn\n0.093097 0.566812 0.745278 Mn\n0.758251 0.568638 0.745284 Mn\n0.802880 0.444602 0.256214 Mn\n0.410039 0.450532 0.257428 Mn\n0.197120 0.944602 0.256214 Mn\n0.589961 0.950532 0.257428 Mn\n0.228249 0.334607 0.843117 O\n0.915035 0.352312 0.839989 O\n0.771751 0.834607 0.843117 O\n0.084965 0.852312 0.839989 O\n0.761587 0.291583 0.653409 O\n0.081769 0.275188 0.650046 O\n0.238413 0.791583 0.653409 O\n0.918231 0.775188 0.650046 O\n0.595649 0.433255 0.866031 F\n0.404351 0.933255 0.866031 F\n0.392169 0.261967 0.625035 F\n0.607831 0.761967 0.625035 F\n0.923971 0.183539 0.391847 F\n0.588029 0.238907 0.375870 F\n0.246332 0.216897 0.364743 F\n0.076029 0.683539 0.391847 F\n0.411971 0.738907 0.375870 F\n0.753668 0.716897 0.364743 F\n0.047594 0.035042 0.109914 F\n0.407147 0.170514 0.136837 F\n0.729777 0.192629 0.132558 F\n0.952406 0.535042 0.109914 F\n0.592853 0.670514 0.136837 F\n0.270223 0.692629 0.132558 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.2264320098861274,
"density_atomic": 0.08384028292523978,
"volume": 477.0976266345371,
"volume_molar": 7.182872659637769,
"formula_full": "Li8 Mn8 O8 F16",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy": -263.58348527,
"energy_per_atom": -6.589587131749999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.796000Z",
"spacegroup": 7
},
{
"id": "mp-757793",
"created_at": "2022-09-04T14:40:07.192030Z",
"structure_string": "Li4 Nb2 P4 O16\n1.0\n4.848173 0.000000 0.000000\n0.000000 6.041064 0.000000\n0.000000 0.023495 10.395994\nLi Nb P O\n4 2 4 16\ndirect\n0.743339 0.545653 0.501962 Li\n0.256661 0.545653 0.001962 Li\n0.279922 0.757427 0.715436 Li\n0.720078 0.757427 0.215436 Li\n0.775148 0.240261 0.779579 Nb\n0.224852 0.240261 0.279579 Nb\n0.335852 0.254732 0.599650 P\n0.664148 0.254732 0.099650 P\n0.806709 0.738459 0.905330 P\n0.193291 0.738459 0.405330 P\n0.459032 0.058996 0.679632 O\n0.540968 0.058996 0.179632 O\n0.571065 0.245526 0.957054 O\n0.428935 0.245526 0.457054 O\n0.018297 0.268776 0.609183 O\n0.981703 0.268776 0.109183 O\n0.492063 0.453972 0.663390 O\n0.507937 0.453972 0.163390 O\n0.951188 0.528126 0.834402 O\n0.048812 0.528126 0.334402 O\n0.496656 0.724836 0.892184 O\n0.503344 0.724836 0.392184 O\n0.073579 0.742047 0.539560 O\n0.926421 0.742047 0.039560 O\n0.925638 0.941189 0.822637 O\n0.074362 0.941189 0.322637 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Nb",
"P",
"O"
],
"chemical_system": "Li-Nb-O-P",
"density": 3.236566986972438,
"density_atomic": 0.08539172413785324,
"volume": 304.47915488890425,
"volume_molar": 7.052370497026245,
"formula_full": "Li4 Nb2 P4 O16",
"formula_reduced": "Li2Nb(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -199.20536131,
"energy_per_atom": -7.6617446657692305,
"energy_above_hull": null,
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"energy_uncorrected": -188.21336131,
"band_gap": 0.3167,
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"is_magnetic": true,
"total_magnetization": 1.9990662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.750000Z",
"spacegroup": 7
},
{
"id": "mp-1198102",
"created_at": "2022-09-04T14:40:07.293773Z",
"structure_string": "Sb4 H48 C12 N6 Cl18\n1.0\n9.354150 0.000000 0.000000\n0.000000 9.710944 0.000000\n0.000000 1.523139 14.616411\nSb H C N Cl\n4 48 12 6 18\ndirect\n0.196570 0.998789 0.502866 Sb\n0.803430 0.998789 0.002866 Sb\n0.700089 0.325919 0.339204 Sb\n0.299911 0.325919 0.839204 Sb\n0.264072 0.721932 0.775389 H\n0.735928 0.721932 0.275389 H\n0.285884 0.890842 0.739800 H\n0.714116 0.890842 0.239800 H\n0.112800 0.647384 0.438490 H\n0.887200 0.647384 0.938490 H\n0.033578 0.499332 0.422476 H\n0.966422 0.499332 0.922476 H\n0.142697 0.039228 0.203559 H\n0.857303 0.039228 0.703559 H\n0.119252 0.130028 0.099980 H\n0.880748 0.130028 0.599980 H\n0.511716 0.776484 0.735325 H\n0.488284 0.776484 0.235325 H\n0.490183 0.713079 0.853774 H\n0.509817 0.713079 0.353774 H\n0.511032 0.894619 0.822494 H\n0.488968 0.894619 0.322494 H\n0.126136 0.861298 0.866827 H\n0.873864 0.861298 0.366827 H\n0.287320 0.949825 0.893883 H\n0.712680 0.949825 0.393883 H\n0.264983 0.769980 0.933047 H\n0.735017 0.769980 0.433047 H\n0.218507 0.551500 0.581069 H\n0.781493 0.551500 0.081069 H\n0.135402 0.388534 0.564971 H\n0.864598 0.388534 0.064971 H\n0.028153 0.537007 0.583597 H\n0.971847 0.537007 0.083597 H\n0.262952 0.383418 0.418385 H\n0.737048 0.383418 0.918385 H\n0.243287 0.527673 0.332163 H\n0.756713 0.527673 0.832163 H\n0.345608 0.545263 0.433986 H\n0.654392 0.545263 0.933986 H\n0.055149 0.267155 0.220524 H\n0.944851 0.267155 0.720524 H\n0.207940 0.336459 0.156653 H\n0.792060 0.336459 0.656653 H\n0.232792 0.241521 0.266627 H\n0.767208 0.241521 0.766627 H\n0.367431 0.174221 0.082545 H\n0.632569 0.174221 0.582545 H\n0.399104 0.091172 0.195240 H\n0.600896 0.091172 0.695240 H\n0.335990 0.992049 0.106046 H\n0.664010 0.992049 0.606046 H\n0.467603 0.798329 0.801235 C\n0.532397 0.798329 0.301235 C\n0.241547 0.851408 0.877919 C\n0.758453 0.851408 0.377919 C\n0.126108 0.501370 0.552983 C\n0.873892 0.501370 0.052983 C\n0.252977 0.496114 0.405506 C\n0.747023 0.496114 0.905506 C\n0.167773 0.251143 0.204392 C\n0.832227 0.251143 0.704392 C\n0.331990 0.091963 0.134227 C\n0.668010 0.091963 0.634227 C\n0.309700 0.813406 0.792340 N\n0.690300 0.813406 0.292340 N\n0.122389 0.540675 0.452328 N\n0.877611 0.540675 0.952328 N\n0.181580 0.121041 0.159761 N\n0.818420 0.121041 0.659761 N\n0.008004 0.849118 0.571373 Cl\n0.991996 0.849118 0.071373 Cl\n0.158440 0.878414 0.350001 Cl\n0.841560 0.878414 0.850001 Cl\n0.380696 0.818513 0.550907 Cl\n0.619304 0.818513 0.050907 Cl\n0.490655 0.159386 0.390367 Cl\n0.509345 0.159386 0.890367 Cl\n0.227645 0.094259 0.666007 Cl\n0.772355 0.094259 0.166007 Cl\n0.965013 0.196554 0.466528 Cl\n0.034987 0.196554 0.966528 Cl\n0.890506 0.525325 0.290617 Cl\n0.109494 0.525325 0.790617 Cl\n0.647059 0.455020 0.467959 Cl\n0.352941 0.455020 0.967959 Cl\n0.537158 0.452681 0.232219 Cl\n0.462842 0.452681 0.732219 Cl\n",
"nsites": 88,
"nelements": 5,
"elements": [
"Sb",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Sb",
"density": 1.7531181683213928,
"density_atomic": 0.06627903035178259,
"volume": 1327.7200878306635,
"volume_molar": 9.086042339540704,
"formula_full": "Sb4 H48 C12 N6 Cl18",
"formula_reduced": "Sb2H24C6(NCl3)3",
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