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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11456",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11454",
"results": [
{
"id": "mp-1233993",
"created_at": "2022-09-04T14:47:08.834807Z",
"structure_string": "Mg1 Zn2 Bi6 Ru8 O27\n1.0\n-5.166735 -5.152722 0.001628\n-0.067316 0.072082 -10.395158\n5.203023 -5.189440 0.069470\nMg Zn Bi Ru O\n1 2 6 8 27\ndirect\n0.193702 0.013055 0.284727 Mg\n0.816503 0.270568 0.721932 Zn\n0.970555 0.975074 0.575917 Zn\n0.284527 0.729412 0.271166 Bi\n0.762844 0.245866 0.247358 Bi\n0.242852 0.759498 0.761204 Bi\n0.505494 0.479689 0.973955 Bi\n0.999300 0.497892 0.989771 Bi\n0.529162 0.008086 0.537216 Bi\n0.251694 0.264931 0.242098 Ru\n0.748732 0.743530 0.754863 Ru\n0.761276 0.758159 0.253216 Ru\n0.245287 0.249034 0.735186 Ru\n0.493040 0.999923 0.001703 Ru\n0.000972 0.504302 0.494066 Ru\n0.982424 0.003440 0.991433 Ru\n0.507790 0.494266 0.500495 Ru\n0.241000 0.922513 0.004200 O\n0.757288 0.406533 0.505849 O\n0.251643 0.336824 0.989972 O\n0.757785 0.839546 0.508697 O\n0.558381 0.628466 0.307819 O\n0.008157 0.124232 0.761577 O\n0.958072 0.624349 0.707389 O\n0.430052 0.118341 0.206583 O\n0.559526 0.614925 0.702486 O\n0.035740 0.147481 0.176611 O\n0.945503 0.629084 0.305859 O\n0.416893 0.107901 0.794738 O\n0.736928 0.059990 0.018471 O\n0.257089 0.573666 0.495160 O\n0.755870 0.679960 0.003714 O\n0.247826 0.181849 0.483917 O\n0.450737 0.369349 0.698283 O\n0.958163 0.891182 0.213584 O\n0.038437 0.384182 0.281491 O\n0.542015 0.873226 0.790327 O\n0.465762 0.378572 0.280208 O\n0.958138 0.864973 0.803160 O\n0.055144 0.382942 0.699512 O\n0.535681 0.873030 0.212391 O\n0.759490 0.340952 0.977844 O\n0.244174 0.906811 0.502082 O\n0.259840 0.623644 0.000285 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Mg",
"Zn",
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-Mg-O-Ru-Zn",
"density": 7.893768605464762,
"density_atomic": 0.0789434281936658,
"volume": 557.3611509758381,
"volume_molar": 7.628425693936609,
"formula_full": "Mg1 Zn2 Bi6 Ru8 O27",
"formula_reduced": "MgZn2Bi6Ru8O27",
"formula_anonymous": "AB2C6D8E27",
"energy": -301.93010221,
"energy_per_atom": -6.862047777499999,
"energy_above_hull": null,
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"energy_uncorrected": -283.38110221,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9648447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.856000Z",
"spacegroup": 1
},
{
"id": "mp-759895",
"created_at": "2022-09-04T14:47:08.786954Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.216436 0.000000 0.000000\n0.072892 9.140426 0.000000\n0.197895 0.204116 10.175280\nLi Fe B O\n4 8 8 24\ndirect\n0.152245 0.173184 0.651110 Li\n0.332195 0.329927 0.400340 Li\n0.332011 0.315717 0.925140 Li\n0.660857 0.675169 0.654905 Li\n0.160778 0.837340 0.629530 Fe\n0.176083 0.503110 0.137831 Fe\n0.314094 0.989410 0.881704 Fe\n0.334843 0.671921 0.371255 Fe\n0.662861 0.342031 0.628118 Fe\n0.670298 0.003245 0.125931 Fe\n0.843626 0.150902 0.372688 Fe\n0.829092 0.499813 0.888832 Fe\n0.161243 0.505053 0.623865 B\n0.165791 0.836580 0.131909 B\n0.344126 0.001192 0.384311 B\n0.325351 0.656892 0.864462 B\n0.665014 0.000118 0.631857 B\n0.668730 0.327912 0.123421 B\n0.827258 0.494948 0.382378 B\n0.827409 0.175478 0.878163 B\n0.095680 0.498931 0.355806 O\n0.088880 0.171204 0.857367 O\n0.199053 0.782803 0.822201 O\n0.236181 0.868417 0.432604 O\n0.215864 0.130302 0.402613 O\n0.191492 0.536160 0.915627 O\n0.285232 0.372519 0.613509 O\n0.323644 0.946209 0.081202 O\n0.289529 0.635378 0.586028 O\n0.281865 0.709611 0.183816 O\n0.407668 0.334697 0.118126 O\n0.399449 0.000938 0.662845 O\n0.583696 0.994536 0.324539 O\n0.585959 0.647416 0.849895 O\n0.691368 0.307087 0.844757 O\n0.714774 0.361351 0.415575 O\n0.684672 0.620238 0.381147 O\n0.683609 0.060455 0.926730 O\n0.814670 0.448996 0.079894 O\n0.796862 0.868950 0.632858 O\n0.787564 0.129503 0.599960 O\n0.796475 0.201310 0.164101 O\n0.908216 0.848758 0.127791 O\n0.910660 0.513872 0.671751 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.234395422909285,
"density_atomic": 0.09069137516831655,
"volume": 485.1619012098915,
"volume_molar": 6.640257410170866,
"formula_full": "Li4 Fe8 B8 O24",
"formula_reduced": "LiFe2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -347.11798961,
"energy_per_atom": -7.889045218409091,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -312.58198961,
"band_gap": 1.1161,
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"is_magnetic": true,
"total_magnetization": 36.0002882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.690000Z",
"spacegroup": 1
},
{
"id": "mp-1233014",
"created_at": "2022-09-04T14:47:09.217935Z",
"structure_string": "Li1 Fe8 O12\n1.0\n0.079760 5.260367 0.026502\n0.035728 0.026693 5.359097\n7.665097 0.116363 0.051571\nLi Fe O\n1 8 12\ndirect\n0.606414 0.385724 0.695565 Li\n0.254012 0.532622 0.105360 Fe\n0.253788 0.028848 0.384550 Fe\n0.205578 0.475795 0.594796 Fe\n0.258314 0.972486 0.886322 Fe\n0.771432 0.492478 0.928942 Fe\n0.750629 0.956038 0.606759 Fe\n0.735917 0.536428 0.374421 Fe\n0.758909 0.035832 0.110559 Fe\n0.386743 0.594589 0.841874 O\n0.102415 0.103612 0.649791 O\n0.097489 0.399915 0.345700 O\n0.410987 0.892508 0.155524 O\n0.598346 0.390833 0.163535 O\n0.894587 0.898403 0.348770 O\n0.874264 0.605645 0.652019 O\n0.613203 0.091549 0.840427 O\n0.980329 0.771345 0.011307 O\n0.542219 0.243903 0.493790 O\n0.060789 0.249242 0.008664 O\n0.443635 0.742203 0.497755 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.96341189580181,
"density_atomic": 0.0972128998343851,
"volume": 216.02071366841488,
"volume_molar": 6.194795927556431,
"formula_full": "Li1 Fe8 O12",
"formula_reduced": "Li(Fe2O3)4",
"formula_anonymous": "AB8C12",
"energy": -160.75253879,
"energy_per_atom": -7.654882799523809,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -134.46053879,
"band_gap": 1.1315,
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"is_magnetic": true,
"total_magnetization": 38.9988977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.467000Z",
"spacegroup": 1
},
{
"id": "mp-1410976",
"created_at": "2022-09-04T14:47:12.713717Z",
"structure_string": "Li3 Mn3 O5 F3\n1.0\n5.818403 0.000000 0.000000\n2.690956 5.257196 0.000000\n2.909512 1.811771 4.910063\nLi Mn O F\n3 3 5 3\ndirect\n0.990673 0.022665 0.004462 Li\n0.758830 0.619657 0.129174 Li\n0.504005 0.230712 0.251947 Li\n0.250077 0.130077 0.618474 Mn\n0.249970 0.613668 0.611890 Mn\n0.750328 0.625413 0.624795 Mn\n0.241914 0.386723 0.403134 O\n0.697697 0.423910 0.835871 O\n0.281004 0.872518 0.422639 O\n0.219553 0.376663 0.822810 O\n0.801908 0.828624 0.415350 O\n0.741554 0.380784 0.359063 F\n0.756066 0.867626 0.894044 F\n0.256423 0.870960 0.856348 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.5670396068979398,
"density_atomic": 0.09321439902066822,
"volume": 150.1913883164747,
"volume_molar": 6.460526295583072,
"formula_full": "Li3 Mn3 O5 F3",
"formula_reduced": "Li3Mn3O5F3",
"formula_anonymous": "A3B3C3D5",
"energy": -53.06732695,
"energy_per_atom": -3.790523353571429,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -43.24232695,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.6053085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.607000Z",
"spacegroup": 1
},
{
"id": "mp-676011",
"created_at": "2022-09-04T14:47:08.974766Z",
"structure_string": "Si8\n1.0\n4.934894 0.000000 0.000000\n-2.219485 4.913732 0.000000\n-2.418904 -1.422197 6.562460\nSi\n8\ndirect\n0.712803 0.047647 0.840919 Si\n0.589842 0.100007 0.255310 Si\n0.461939 0.579635 0.673823 Si\n0.173705 0.267649 0.146928 Si\n0.233739 0.141020 0.760307 Si\n0.079059 0.554145 0.356122 Si\n0.729109 0.334653 0.593695 Si\n0.074661 0.990390 0.395186 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.344581212497035,
"density_atomic": 0.05027290982816036,
"volume": 159.13142937906494,
"volume_molar": 11.978898338259107,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -39.82626166,
"energy_per_atom": -4.9782827075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -39.82626166,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.290000Z",
"spacegroup": 1
},
{
"id": "mp-1316403",
"created_at": "2022-09-04T14:47:09.002969Z",
"structure_string": "Li16 Co2 O10 F2\n1.0\n2.464762 -4.850859 0.040901\n2.487501 1.590633 4.954458\n-5.601575 -3.671627 5.430469\nLi Co O F\n16 2 10 2\ndirect\n0.338449 0.241017 0.130610 Li\n0.857457 0.727624 0.622792 Li\n0.168522 0.601496 0.062585 Li\n0.664191 0.090636 0.567841 Li\n0.676310 0.445959 0.207840 Li\n0.200697 0.936733 0.699547 Li\n0.499389 0.152285 0.879218 Li\n0.010869 0.661325 0.362202 Li\n0.518689 0.824631 0.139530 Li\n0.023895 0.316951 0.644908 Li\n0.309207 0.551400 0.786230 Li\n0.798379 0.055584 0.284352 Li\n0.840475 0.412194 0.956068 Li\n0.349270 0.913852 0.441903 Li\n0.643037 0.768438 0.873265 Li\n0.137359 0.281617 0.379131 Li\n0.990282 0.998845 0.960836 Co\n0.493851 0.499386 0.475404 Co\n0.333529 0.525008 0.248127 O\n0.854945 0.007001 0.749565 O\n0.162547 0.294842 0.942408 O\n0.670920 0.798417 0.443756 O\n0.666017 0.155284 0.086263 O\n0.194213 0.644127 0.579280 O\n0.315006 0.840226 0.901274 O\n0.797405 0.352175 0.414546 O\n0.836811 0.704440 0.055561 O\n0.335051 0.199110 0.552552 O\n0.665723 0.492533 0.775557 F\n0.147505 0.006863 0.276846 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 2.66236688793988,
"density_atomic": 0.1126679729838247,
"volume": 266.26910208375705,
"volume_molar": 5.345033375957315,
"formula_full": "Li16 Co2 O10 F2",
"formula_reduced": "Li8CoO5F",
"formula_anonymous": "ABC5D8",
"energy": -159.70453343,
"energy_per_atom": -5.323484447666667,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.923000Z",
"spacegroup": 1
},
{
"id": "mp-1075638",
"created_at": "2022-09-04T14:47:09.033264Z",
"structure_string": "Mg10 Si18\n1.0\n-7.390444 0.000000 0.000000\n3.680469 6.496417 0.000000\n-0.821008 -1.567928 -10.291056\nMg Si\n10 18\ndirect\n0.501557 0.483312 0.725351 Mg\n0.791305 0.947640 0.354112 Mg\n0.589354 0.182485 0.520837 Mg\n0.275157 0.753234 0.391105 Mg\n0.892033 0.665042 0.572113 Mg\n0.103831 0.367234 0.513496 Mg\n0.576961 0.586356 0.110001 Mg\n0.133259 0.324708 0.914861 Mg\n0.238870 0.045468 0.074280 Mg\n0.530682 0.885897 0.910709 Mg\n0.155541 0.335503 0.226272 Si\n0.965897 0.605473 0.971995 Si\n0.239513 0.117784 0.348341 Si\n0.848396 0.055438 0.685642 Si\n0.524218 0.043844 0.237262 Si\n0.232106 0.959409 0.780327 Si\n0.729126 0.289969 0.083968 Si\n0.227647 0.632278 0.733144 Si\n0.968972 0.717521 0.235313 Si\n0.176969 0.077984 0.592772 Si\n0.888093 0.852943 0.871357 Si\n0.855616 0.043635 0.087401 Si\n0.544510 0.519447 0.391004 Si\n0.830259 0.380414 0.749460 Si\n0.521147 0.254598 0.897249 Si\n0.259332 0.685926 0.112634 Si\n0.530162 0.779247 0.571998 Si\n0.869383 0.406981 0.336763 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.515869860785677,
"density_atomic": 0.05667005904981319,
"volume": 494.08806818761025,
"volume_molar": 10.626671051650954,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -107.94929377,
"energy_per_atom": -3.8553319203571426,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -109.22729377,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0009444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.668000Z",
"spacegroup": 1
},
{
"id": "mp-1233093",
"created_at": "2022-09-04T14:47:09.056424Z",
"structure_string": "Ba6 Mg1 Ir6 O18\n1.0\n5.702472 -0.025664 -0.043396\n-2.859465 5.253367 0.296736\n0.073622 1.132009 15.003858\nBa Mg Ir O\n6 1 6 18\ndirect\n0.006330 0.993913 0.750404 Ba\n0.052822 0.153907 0.279352 Ba\n0.310807 0.618632 0.899606 Ba\n0.349612 0.688558 0.590310 Ba\n0.618791 0.224163 0.057579 Ba\n0.701826 0.420266 0.423841 Ba\n0.853173 0.715073 0.171258 Mg\n0.949038 0.897415 0.992778 Ir\n0.025922 0.051940 0.504786 Ir\n0.341221 0.690387 0.160906 Ir\n0.375698 0.764566 0.349222 Ir\n0.652783 0.305115 0.837548 Ir\n0.672628 0.341554 0.653041 Ir\n0.223407 0.422305 0.441320 O\n0.589390 0.670707 0.069136 O\n0.829714 0.680695 0.565810 O\n0.318072 0.065296 0.923005 O\n0.061340 0.660326 0.071957 O\n0.160738 0.910206 0.408355 O\n0.871208 0.158764 0.912012 O\n0.888202 0.185442 0.599511 O\n0.690238 0.971491 0.429390 O\n0.044448 0.087998 0.101118 O\n0.356381 0.131952 0.576930 O\n0.800616 0.633101 0.899354 O\n0.495670 0.458388 0.742002 O\n0.551354 0.618436 0.265229 O\n0.525710 0.034732 0.752223 O\n0.963241 0.490383 0.743302 O\n0.497003 0.013286 0.238697 O\n0.055950 0.607672 0.264126 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 8.512733961234773,
"density_atomic": 0.06941126666820836,
"volume": 446.6133739956452,
"volume_molar": 8.676027753226771,
"formula_full": "Ba6 Mg1 Ir6 O18",
"formula_reduced": "Ba6Mg(IrO3)6",
"formula_anonymous": "AB6C6D18",
"energy": -214.98971791,
"energy_per_atom": -6.935152190645161,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:56.796000Z",
"spacegroup": 1
},
{
"id": "mp-1369771",
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{
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{
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{
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}
]
}