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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11481",
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"results": [
{
"id": "mp-1259569",
"created_at": "2022-09-04T14:46:33.769127Z",
"structure_string": "Ba14 Al12 Te32\n1.0\n7.107755 0.212271 4.385388\n3.624925 5.929722 2.138444\n7.209151 0.238437 58.635258\nBa Al Te\n14 12 32\ndirect\n0.755549 0.931767 0.992245 Ba\n0.318413 0.957539 0.243627 Ba\n0.779105 0.029304 0.133187 Ba\n0.248384 0.068504 0.360173 Ba\n0.775829 0.983211 0.249858 Ba\n0.250134 0.087956 0.486078 Ba\n0.801985 0.923385 0.365025 Ba\n0.237009 0.093339 0.612067 Ba\n0.817008 0.916271 0.490410 Ba\n0.203548 0.105388 0.737894 Ba\n0.801155 0.932588 0.615765 Ba\n0.231603 0.963475 0.886821 Ba\n0.777955 0.930906 0.740333 Ba\n0.671920 0.092059 0.885420 Ba\n0.671416 0.603205 0.082971 Al\n0.785614 0.411444 0.185243 Al\n0.338688 0.500236 0.421414 Al\n0.757756 0.472074 0.308979 Al\n0.334231 0.504878 0.548523 Al\n0.755345 0.473734 0.436858 Al\n0.310827 0.515784 0.673910 Al\n0.744436 0.486022 0.562365 Al\n0.244291 0.515176 0.842629 Al\n0.737132 0.499657 0.686992 Al\n0.774244 0.509676 0.814011 Al\n0.632833 0.535433 0.946347 Al\n0.145538 0.428509 0.054378 Te\n0.184173 0.441404 0.151094 Te\n0.353506 0.906539 0.067335 Te\n0.516632 0.366949 0.086201 Te\n0.160725 0.461482 0.265425 Te\n0.426423 0.779906 0.182687 Te\n0.819061 0.036742 0.186407 Te\n0.750111 0.598688 0.119987 Te\n0.148734 0.473737 0.391811 Te\n0.382407 0.820220 0.306782 Te\n0.757288 0.116097 0.306112 Te\n0.880698 0.441778 0.219148 Te\n0.144578 0.483353 0.518918 Te\n0.392985 0.836802 0.432916 Te\n0.778225 0.108518 0.431339 Te\n0.718069 0.491010 0.358592 Te\n0.136801 0.496395 0.642639 Te\n0.384285 0.851314 0.557955 Te\n0.768092 0.120523 0.556604 Te\n0.714264 0.495335 0.485844 Te\n0.136378 0.507285 0.765297 Te\n0.366277 0.860499 0.683324 Te\n0.742117 0.139886 0.682228 Te\n0.699724 0.506306 0.611614 Te\n0.071492 0.524678 0.898813 Te\n0.337209 0.855330 0.821452 Te\n0.699333 0.168985 0.819674 Te\n0.685991 0.515915 0.735905 Te\n0.294526 0.913111 0.941550 Te\n0.635368 0.190517 0.941036 Te\n0.858808 0.517393 0.853541 Te\n0.653776 0.501786 0.989244 Te\n",
"nsites": 58,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Te"
],
"chemical_system": "Al-Ba-Te",
"density": 4.687669040627524,
"density_atomic": 0.02586798257389003,
"volume": 2242.1539768061607,
"volume_molar": 23.28028767917323,
"formula_full": "Ba14 Al12 Te32",
"formula_reduced": "Ba7(Al3Te8)2",
"formula_anonymous": "A6B7C16",
"energy": -239.42528616,
"energy_per_atom": -4.128022175172414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -225.92128616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0535402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.288000Z",
"spacegroup": 1
},
{
"id": "mp-764542",
"created_at": "2022-09-04T14:46:33.490267Z",
"structure_string": "Li5 Fe8 B8 O24\n1.0\n-5.257864 0.000000 0.000000\n-0.062753 -9.101322 0.000000\n2.538922 4.405753 10.141329\nLi Fe B O\n5 8 8 24\ndirect\n0.025216 0.034360 0.402136 Li\n0.265657 0.243319 0.159435 Li\n0.528549 0.538828 0.417988 Li\n0.984034 0.008374 0.664943 Li\n0.754911 0.737811 0.148402 Li\n0.027764 0.349278 0.383770 Fe\n0.271730 0.929117 0.876143 Fe\n0.464584 0.165318 0.631214 Fe\n0.239856 0.566741 0.130964 Fe\n0.767739 0.434609 0.870836 Fe\n0.530892 0.857578 0.387262 Fe\n0.976415 0.650977 0.633679 Fe\n0.744118 0.057484 0.126030 Fe\n0.017594 0.682371 0.371826 B\n0.275802 0.607504 0.886872 B\n0.484285 0.822276 0.629111 B\n0.231509 0.891406 0.127529 B\n0.518326 0.184346 0.372202 B\n0.763717 0.103401 0.877177 B\n0.973254 0.311580 0.625092 B\n0.740485 0.398586 0.130052 B\n0.012502 0.073137 0.858995 O\n0.141940 0.715036 0.843131 O\n0.138244 0.515621 0.932622 O\n0.077993 0.165535 0.606074 O\n0.071865 0.420036 0.587471 O\n0.250658 0.852245 0.675271 O\n0.259095 0.653457 0.331175 O\n0.536107 0.594344 0.894474 O\n0.638785 0.225195 0.849358 O\n0.404274 0.082187 0.414778 O\n0.390439 0.311646 0.356318 O\n0.633887 0.010119 0.921763 O\n0.334958 0.998201 0.084674 O\n0.595289 0.682218 0.609470 O\n0.591089 0.938456 0.596510 O\n0.393480 0.780455 0.160255 O\n0.480252 0.408780 0.135491 O\n0.754623 0.344169 0.680953 O\n0.760308 0.156435 0.340153 O\n0.913696 0.579542 0.414195 O\n0.894609 0.813661 0.363546 O\n0.858480 0.509702 0.094371 O\n0.889564 0.287411 0.160954 O\n0.981043 0.892956 0.141295 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.257236812706968,
"density_atomic": 0.09272648846994148,
"volume": 485.29822214271974,
"volume_molar": 6.494520454047127,
"formula_full": "Li5 Fe8 B8 O24",
"formula_reduced": "Li5Fe8(BO3)8",
"formula_anonymous": "A5B8C8D24",
"energy": -352.34722969,
"energy_per_atom": -7.829938437555556,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -317.81122969,
"band_gap": 1.2875,
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"is_magnetic": true,
"total_magnetization": 35.0124802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.246000Z",
"spacegroup": 1
},
{
"id": "mp-676145",
"created_at": "2022-09-04T14:46:34.207431Z",
"structure_string": "Lu4 H12 O12\n1.0\n7.086233 0.000000 0.000000\n-2.123645 6.774460 0.000000\n-2.646360 -3.224442 5.761373\nLu H O\n4 12 12\ndirect\n0.499721 0.011198 0.038099 Lu\n0.987206 0.997639 0.492588 Lu\n0.504084 0.492402 0.482045 Lu\n0.021579 0.527937 0.017894 Lu\n0.704588 0.539305 0.158385 H\n0.552390 0.835593 0.387466 H\n0.169629 0.623557 0.460204 H\n0.319866 0.044041 0.369374 H\n0.826416 0.355333 0.536440 H\n0.036773 0.711388 0.679306 H\n0.681465 0.033338 0.719561 H\n0.535581 0.165732 0.704038 H\n0.195732 0.410592 0.793567 H\n0.344388 0.313857 0.026255 H\n0.388903 0.603720 0.793747 H\n0.676755 0.678237 0.995324 H\n0.484903 0.329936 0.155208 O\n0.304992 0.822561 0.137181 O\n0.808419 0.658478 0.142930 O\n0.188907 0.521271 0.342087 O\n0.674953 0.828876 0.510678 O\n0.807859 0.137193 0.337587 O\n0.156182 0.830068 0.678307 O\n0.323436 0.166766 0.493894 O\n0.831352 0.486679 0.659679 O\n0.131815 0.300076 0.836102 O\n0.661804 0.154323 0.823208 O\n0.546302 0.698902 0.839844 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Lu",
"H",
"O"
],
"chemical_system": "H-Lu-O",
"density": 5.42725620297365,
"density_atomic": 0.10123762014778269,
"volume": 276.5770269898354,
"volume_molar": 5.948520669696814,
"formula_full": "Lu4 H12 O12",
"formula_reduced": "Lu(HO)3",
"formula_anonymous": "AB3C3",
"energy": -179.99579612,
"energy_per_atom": -6.42842129,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -171.75179612,
"band_gap": 3.2310000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.201000Z",
"spacegroup": 1
},
{
"id": "mp-1234313",
"created_at": "2022-09-04T14:46:33.520331Z",
"structure_string": "K8 Mg1 Si8 O24\n1.0\n0.328210 0.079913 8.271814\n8.171835 0.089862 -1.237499\n0.120276 10.275299 0.087943\nK Mg Si O\n8 1 8 24\ndirect\n0.992496 0.021989 0.735141 K\n0.492188 0.537347 0.739821 K\n0.967745 0.010035 0.262123 K\n0.478886 0.504725 0.263446 K\n0.676628 0.195305 0.516244 K\n0.172455 0.777783 0.984054 K\n0.305066 0.821899 0.484071 K\n0.727050 0.324413 0.015891 K\n0.108259 0.393581 0.000675 Mg\n0.025666 0.515577 0.708263 Si\n0.512665 0.006528 0.807181 Si\n0.986372 0.473437 0.292171 Si\n0.493740 0.984644 0.192800 Si\n0.820032 0.680893 0.499708 Si\n0.312326 0.187967 0.997119 Si\n0.192003 0.307629 0.500940 Si\n0.688549 0.810062 0.001883 Si\n0.976624 0.448095 0.854545 O\n0.486103 0.962958 0.656514 O\n0.052075 0.525219 0.145897 O\n0.523954 0.025091 0.343503 O\n0.865605 0.572835 0.629664 O\n0.346225 0.064673 0.875346 O\n0.145119 0.415840 0.372547 O\n0.663738 0.940821 0.119675 O\n0.078501 0.357531 0.624768 O\n0.548718 0.842345 0.892973 O\n0.932860 0.632543 0.373812 O\n0.442476 0.145669 0.111493 O\n0.171431 0.663484 0.713928 O\n0.666323 0.146197 0.793456 O\n0.837507 0.328640 0.286002 O\n0.352916 0.832051 0.207022 O\n0.850218 0.876950 0.517040 O\n0.345145 0.380897 0.959303 O\n0.159218 0.112058 0.483237 O\n0.662338 0.620607 0.047081 O\n0.625106 0.648419 0.478557 O\n0.121501 0.155135 0.040702 O\n0.386396 0.342353 0.522565 O\n0.874446 0.839107 0.948838 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"K",
"Mg",
"Si",
"O"
],
"chemical_system": "K-Mg-O-Si",
"density": 2.2480761796379167,
"density_atomic": 0.05869003681734659,
"volume": 698.5853515069176,
"volume_molar": 10.260925169874968,
"formula_full": "K8 Mg1 Si8 O24",
"formula_reduced": "K8Mg(SiO3)8",
"formula_anonymous": "AB8C8D24",
"energy": -278.05582138,
"energy_per_atom": -6.78184930195122,
"energy_above_hull": null,
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"energy_uncorrected": -261.56782138,
"band_gap": 0.0102999999999999,
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"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.964000Z",
"spacegroup": 1
},
{
"id": "mp-1198011",
"created_at": "2022-09-04T14:46:33.813784Z",
"structure_string": "Cd2 H12 C4 O14\n1.0\n5.913410 0.094000 1.720325\n0.698865 6.447263 1.901869\n0.093594 0.139524 8.631148\nCd H C O\n2 12 4 14\ndirect\n0.728396 0.053050 0.345203 Cd\n0.624687 0.433763 0.925202 Cd\n0.966391 0.654836 0.322896 H\n0.734124 0.657217 0.276921 H\n0.291652 0.917473 0.452369 H\n0.444633 0.741356 0.564597 H\n0.896072 0.757653 0.706021 H\n0.053125 0.580575 0.817646 H\n0.383017 0.755440 0.084345 H\n0.624581 0.822949 0.009480 H\n0.293958 0.469635 0.418568 H\n0.073058 0.526656 0.552805 H\n0.091176 0.989221 0.884450 H\n0.290240 0.971084 0.728962 H\n0.617179 0.346179 0.589421 C\n0.724457 0.135368 0.689762 C\n0.246828 0.166486 0.192868 C\n0.109970 0.323675 0.072386 C\n0.593461 0.355417 0.445609 O\n0.558841 0.496824 0.657035 O\n0.792443 0.989794 0.615950 O\n0.737199 0.120837 0.836615 O\n0.452711 0.196026 0.172247 O\n0.145622 0.020713 0.302117 O\n0.209671 0.470932 0.963971 O\n0.905089 0.290864 0.093568 O\n0.850829 0.746244 0.261839 O\n0.398546 0.894228 0.525798 O\n0.942669 0.603504 0.746933 O\n0.544098 0.700285 0.074342 O\n0.126748 0.500445 0.439939 O\n0.255668 0.993769 0.841906 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.5918364921682993,
"density_atomic": 0.09813680819765722,
"volume": 326.0754103144341,
"volume_molar": 6.1364750602758695,
"formula_full": "Cd2 H12 C4 O14",
"formula_reduced": "CdH6C2O7",
"formula_anonymous": "AB2C6D7",
"energy": -193.06019916,
"energy_per_atom": -6.03313122375,
"energy_above_hull": null,
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"energy_uncorrected": -183.44219916,
"band_gap": 3.5862,
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"total_magnetization": 0.0009662,
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"updated_at": "2021-11-28T01:37:34.193000Z",
"spacegroup": 1
},
{
"id": "mp-760891",
"created_at": "2022-09-04T14:46:33.957152Z",
"structure_string": "Cu6 O2 F10\n1.0\n5.867828 0.043997 -4.690970\n-0.069727 4.592038 -0.135101\n3.752895 -0.194555 4.566503\nCu O F\n6 2 10\ndirect\n0.007423 0.981642 0.990432 Cu\n0.992853 0.530310 0.524358 Cu\n0.330688 0.004929 0.331996 Cu\n0.676879 0.513032 0.191625 Cu\n0.324492 0.510956 0.835841 Cu\n0.668715 0.986733 0.658802 Cu\n0.106512 0.696170 0.799490 O\n0.772394 0.698941 0.471968 O\n0.223111 0.200300 0.011544 F\n0.113748 0.798880 0.314171 F\n0.444362 0.702124 0.146786 F\n0.219502 0.303533 0.518797 F\n0.551132 0.208020 0.346974 F\n0.445183 0.795418 0.650301 F\n0.901815 0.286295 0.187907 F\n0.555997 0.297162 0.853430 F\n0.882794 0.194814 0.680779 F\n0.782400 0.790742 0.984799 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O",
"density": 4.918635977337432,
"density_atomic": 0.08838211718603145,
"volume": 203.6611089787839,
"volume_molar": 6.8137548089329805,
"formula_full": "Cu6 O2 F10",
"formula_reduced": "Cu3OF5",
"formula_anonymous": "AB3C5",
"energy": -82.34803359,
"energy_per_atom": -4.574890755,
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"energy_uncorrected": -76.35403359,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:41.259000Z",
"spacegroup": 1
},
{
"id": "mp-778793",
"created_at": "2022-09-04T14:46:33.876180Z",
"structure_string": "Li4 Fe3 Si3 O12\n1.0\n1.844146 -2.469840 3.080119\n-0.027331 7.627750 9.181560\n-3.648795 -2.751717 3.076908\nLi Fe Si O\n4 3 3 12\ndirect\n0.325306 0.424532 0.914908 Li\n0.007628 0.249003 0.745356 Li\n0.328623 0.917727 0.424976 Li\n0.003514 0.744717 0.245777 Li\n0.667198 0.833279 0.835144 Fe\n0.003107 0.505356 0.492025 Fe\n0.331185 0.163715 0.172731 Fe\n0.330572 0.668738 0.662851 Si\n0.674376 0.330717 0.334004 Si\n0.994689 0.999127 0.003857 Si\n0.192788 0.110831 0.917809 O\n0.535689 0.558702 0.762306 O\n0.975153 0.718706 0.916467 O\n0.317327 0.363406 0.588076 O\n0.937206 0.954824 0.752229 O\n0.556999 0.780745 0.565310 O\n0.234850 0.644222 0.419848 O\n0.227168 0.891373 0.107281 O\n0.909654 0.221813 0.432935 O\n0.619224 0.031365 0.241262 O\n0.900878 0.433122 0.213569 O\n0.593530 0.287314 0.084614 O\n",
"nsites": 22,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0306539393651275,
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"volume": 258.3681243734636,
"volume_molar": 7.072405513064476,
"formula_full": "Li4 Fe3 Si3 O12",
"formula_reduced": "Li4Fe3(SiO4)3",
"formula_anonymous": "A3B3C4D12",
"energy": -162.66999708,
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"updated_at": "2021-11-28T01:37:35.309000Z",
"spacegroup": 1
},
{
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