HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10258",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10256",
"results": [
{
"id": "mp-642210",
"created_at": "2022-09-04T14:42:40.483459Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.870258 0.000000 0.000000\n0.000000 10.132718 0.000000\n0.000000 0.000000 10.956246\nMg Si O\n8 8 24\ndirect\n0.287145 0.973363 0.465634 Mg\n0.651339 0.255928 0.026783 Mg\n0.848661 0.755928 0.526783 Mg\n0.151339 0.255928 0.473217 Mg\n0.712855 0.473363 0.534366 Mg\n0.212855 0.473363 0.965634 Mg\n0.787145 0.973363 0.034366 Mg\n0.348661 0.755928 0.973217 Mg\n0.570791 0.259022 0.328710 Si\n0.070791 0.259022 0.171290 Si\n0.892126 0.176174 0.667280 Si\n0.392126 0.176174 0.832720 Si\n0.607874 0.676174 0.167280 Si\n0.429209 0.759022 0.671290 Si\n0.929209 0.759022 0.828710 Si\n0.107874 0.676174 0.332720 Si\n0.412699 0.278001 0.190203 O\n0.470169 0.371071 0.424356 O\n0.925157 0.326583 0.610238 O\n0.431520 0.652248 0.294964 O\n0.587301 0.778001 0.809797 O\n0.931520 0.652248 0.205036 O\n0.939409 0.125002 0.120427 O\n0.439409 0.125002 0.379573 O\n0.970169 0.371071 0.075644 O\n0.568480 0.152248 0.705036 O\n0.029831 0.871071 0.924356 O\n0.087301 0.778001 0.690203 O\n0.425157 0.326583 0.889762 O\n0.060591 0.625002 0.879573 O\n0.982507 0.586708 0.443826 O\n0.017493 0.086708 0.556174 O\n0.560591 0.625002 0.620427 O\n0.574843 0.826583 0.110238 O\n0.529831 0.871071 0.575644 O\n0.068480 0.152248 0.794964 O\n0.517493 0.086708 0.943826 O\n0.912699 0.278001 0.309797 O\n0.074843 0.826583 0.389762 O\n0.482507 0.586708 0.056174 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.4665175806818516,
"density_atomic": 0.0739810161054675,
"volume": 540.679245915951,
"volume_molar": 8.14011631229128,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy": -298.58727828,
"energy_per_atom": -7.464681957000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.09927828,
"band_gap": 4.4184,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.956000Z",
"spacegroup": 33
},
{
"id": "mp-1200396",
"created_at": "2022-09-04T14:40:28.277349Z",
"structure_string": "Mg6 Si8 O24\n1.0\n4.633251 2.693776 0.000000\n-4.633251 2.693776 0.000000\n0.000000 1.998923 19.222508\nMg Si O\n6 8 24\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.145911 0.322902 0.500124 Mg\n0.677098 0.854089 0.999876 Mg\n0.854089 0.677098 0.499876 Mg\n0.322902 0.145911 0.000124 Mg\n0.885700 0.385777 0.354960 Si\n0.614223 0.114300 0.145040 Si\n0.114300 0.614223 0.645040 Si\n0.385777 0.885700 0.854960 Si\n0.219231 0.052454 0.354992 Si\n0.947546 0.780769 0.145008 Si\n0.780769 0.947546 0.645008 Si\n0.052454 0.219231 0.854992 Si\n0.855918 0.351109 0.440867 O\n0.648891 0.144082 0.059133 O\n0.144082 0.648891 0.559133 O\n0.351109 0.855918 0.940867 O\n0.187264 0.017754 0.440909 O\n0.982246 0.812736 0.059091 O\n0.812736 0.982246 0.559091 O\n0.017754 0.187264 0.940909 O\n0.515312 0.666056 0.455922 O\n0.333944 0.484688 0.044078 O\n0.484688 0.333944 0.544078 O\n0.666056 0.515312 0.955922 O\n0.562541 0.225980 0.327324 O\n0.774020 0.437459 0.172676 O\n0.437459 0.774020 0.672676 O\n0.225980 0.562541 0.827324 O\n0.058584 0.729163 0.327368 O\n0.270837 0.941416 0.172632 O\n0.941416 0.270837 0.672632 O\n0.729163 0.058584 0.827368 O\n0.066739 0.233230 0.326416 O\n0.766770 0.933261 0.173584 O\n0.933261 0.766770 0.673584 O\n0.233230 0.066739 0.826416 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.6110834852429345,
"density_atomic": 0.07919472283454838,
"volume": 479.8299512884039,
"volume_molar": 7.604219756638715,
"formula_full": "Mg6 Si8 O24",
"formula_reduced": "Mg3(SiO3)4",
"formula_anonymous": "A3B4C12",
"energy": -284.39924346,
"energy_per_atom": -7.48419061736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.91124346,
"band_gap": 0.1022,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.999371,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.775000Z",
"spacegroup": 15
},
{
"id": "mp-642216",
"created_at": "2022-09-04T14:48:27.188155Z",
"structure_string": "Mg8 Si8 O24\n1.0\n8.483290 0.000000 0.000000\n0.000000 4.913015 0.000000\n0.000000 1.354901 9.386272\nMg Si O\n8 8 24\ndirect\n0.970178 0.076420 0.776591 Mg\n0.840833 0.409175 0.270312 Mg\n0.470178 0.423580 0.223409 Mg\n0.029822 0.923580 0.223409 Mg\n0.159167 0.590825 0.729688 Mg\n0.659167 0.909175 0.270312 Mg\n0.340833 0.090825 0.729688 Mg\n0.529822 0.576420 0.776591 Mg\n0.343342 0.808688 0.449349 Si\n0.833828 0.512122 0.990217 Si\n0.166172 0.487878 0.009783 Si\n0.843342 0.691312 0.550651 Si\n0.656658 0.191312 0.550651 Si\n0.156658 0.308688 0.449349 Si\n0.666172 0.012122 0.990217 Si\n0.333828 0.987878 0.009783 Si\n0.486117 0.700627 0.364019 O\n0.816034 0.353700 0.602807 O\n0.151223 0.268023 0.623962 O\n0.183966 0.646300 0.397193 O\n0.683966 0.853700 0.602807 O\n0.306557 0.653924 0.103311 O\n0.996211 0.594685 0.106301 O\n0.316034 0.146300 0.397193 O\n0.693443 0.346076 0.896689 O\n0.686863 0.651291 0.114938 O\n0.013883 0.200627 0.364019 O\n0.806557 0.846076 0.896689 O\n0.513883 0.299373 0.635981 O\n0.503789 0.094685 0.106301 O\n0.651223 0.231977 0.376038 O\n0.193443 0.153924 0.103311 O\n0.348777 0.768023 0.623962 O\n0.186863 0.848709 0.885062 O\n0.003789 0.405315 0.893699 O\n0.986117 0.799373 0.635981 O\n0.313137 0.348709 0.885062 O\n0.848777 0.731977 0.376038 O\n0.496211 0.905315 0.893699 O\n0.813137 0.151291 0.114938 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.4089322957666264,
"density_atomic": 0.10224791302960883,
"volume": 391.20602870805635,
"volume_molar": 5.889744427601291,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy": -299.41020128,
"energy_per_atom": -7.485255032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.92220128,
"band_gap": 5.514399999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0034285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:21.121000Z",
"spacegroup": 14
},
{
"id": "mp-1200846",
"created_at": "2022-09-04T14:39:49.808645Z",
"structure_string": "Mg6 Si8 O24\n1.0\n4.633608 2.692817 0.000000\n-4.633608 2.692817 0.000000\n0.000000 1.514211 28.828024\nMg Si O\n6 8 24\ndirect\n0.020269 0.010546 0.499930 Mg\n0.010546 0.020269 0.999930 Mg\n0.313277 0.656448 0.500142 Mg\n0.656448 0.313277 0.000142 Mg\n0.666627 0.331925 0.500019 Mg\n0.331925 0.666627 0.000019 Mg\n0.029212 0.363653 0.403480 Si\n0.363653 0.029212 0.903480 Si\n0.304284 0.303493 0.596475 Si\n0.303493 0.304284 0.096475 Si\n0.362946 0.029476 0.403490 Si\n0.029476 0.362946 0.903490 Si\n0.970162 0.637501 0.596458 Si\n0.637501 0.970162 0.096458 Si\n0.675959 0.691177 0.470696 O\n0.691177 0.675959 0.970696 O\n0.657490 0.974537 0.529908 O\n0.974537 0.657490 0.029908 O\n0.012908 0.350096 0.460670 O\n0.350096 0.012908 0.960670 O\n0.320912 0.316480 0.539207 O\n0.316480 0.320912 0.039207 O\n0.345054 0.015483 0.460691 O\n0.015483 0.345054 0.960691 O\n0.988115 0.650726 0.539180 O\n0.650726 0.988115 0.039180 O\n0.701312 0.202377 0.384930 O\n0.202377 0.701312 0.884930 O\n0.631972 0.464857 0.615044 O\n0.464857 0.631972 0.115044 O\n0.203186 0.701925 0.384784 O\n0.701925 0.203186 0.884784 O\n0.130138 0.965161 0.615057 O\n0.965161 0.130138 0.115057 O\n0.200162 0.200695 0.384678 O\n0.200695 0.200162 0.884678 O\n0.133133 0.466328 0.615161 O\n0.466328 0.133133 0.115161 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 1.7415546627127863,
"density_atomic": 0.052821726916909464,
"volume": 719.4009400672456,
"volume_molar": 11.40087822095073,
"formula_full": "Mg6 Si8 O24",
"formula_reduced": "Mg3(SiO3)4",
"formula_anonymous": "A3B4C12",
"energy": -284.46809079,
"energy_per_atom": -7.486002389210527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.98009079,
"band_gap": 0.0766,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.978000Z",
"spacegroup": 9
},
{
"id": "mp-1194460",
"created_at": "2022-09-04T14:40:04.427001Z",
"structure_string": "Mg6 Si4 O18\n1.0\n4.682246 2.709480 0.000000\n-4.682246 2.709480 0.000000\n0.000000 0.800763 14.916237\nMg Si O\n6 4 18\ndirect\n0.105187 0.704229 0.269453 Mg\n0.704229 0.105187 0.769453 Mg\n0.747662 0.991503 0.270186 Mg\n0.991503 0.747662 0.770186 Mg\n0.392477 0.347569 0.271075 Mg\n0.347569 0.392477 0.771075 Mg\n0.386214 0.655776 0.461019 Si\n0.655776 0.386214 0.961019 Si\n0.053191 0.988999 0.460700 Si\n0.988999 0.053191 0.960700 Si\n0.219310 0.822434 0.496398 O\n0.822434 0.219310 0.996398 O\n0.714739 0.812795 0.495721 O\n0.812795 0.714739 0.995721 O\n0.210087 0.317607 0.495954 O\n0.317607 0.210087 0.995954 O\n0.403389 0.671216 0.350120 O\n0.671216 0.403389 0.850120 O\n0.069597 0.003712 0.349784 O\n0.003712 0.069597 0.849784 O\n0.065170 0.355657 0.209495 O\n0.355657 0.065170 0.709495 O\n0.449530 0.049721 0.209595 O\n0.049721 0.449530 0.709595 O\n0.742436 0.340497 0.322199 O\n0.340497 0.742436 0.822199 O\n0.757093 0.663484 0.209652 O\n0.663484 0.757093 0.709652 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.39629617098026,
"density_atomic": 0.0739824285906461,
"volume": 378.46824622272743,
"volume_molar": 8.13996089979858,
"formula_full": "Mg6 Si4 O18",
"formula_reduced": "Mg3Si2O9",
"formula_anonymous": "A2B3C9",
"energy": -188.97422995,
"energy_per_atom": -6.749079641071428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.60822995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0056031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.788000Z",
"spacegroup": 9
},
{
"id": "mp-1020124",
"created_at": "2022-09-04T14:39:39.189086Z",
"structure_string": "Mg16 Si16 O48\n1.0\n8.982055 0.000000 0.000000\n0.000000 5.256060 0.000000\n0.000000 0.072786 18.531279\nMg Si O\n16 16 48\ndirect\n0.348760 0.570758 0.874264 Mg\n0.848760 0.929242 0.125736 Mg\n0.651240 0.429242 0.125736 Mg\n0.151240 0.070758 0.874264 Mg\n0.990967 0.569496 0.874238 Mg\n0.490967 0.930504 0.125762 Mg\n0.009033 0.430504 0.125762 Mg\n0.509033 0.069496 0.874238 Mg\n0.348722 0.866800 0.374613 Mg\n0.848722 0.633200 0.625387 Mg\n0.651278 0.133200 0.625387 Mg\n0.151278 0.366800 0.374613 Mg\n0.990978 0.864485 0.379406 Mg\n0.490978 0.635515 0.620594 Mg\n0.009022 0.135515 0.620594 Mg\n0.509022 0.364485 0.379406 Mg\n0.839623 0.267676 0.977167 Si\n0.339623 0.232324 0.022833 Si\n0.160377 0.732324 0.022833 Si\n0.660377 0.767676 0.977167 Si\n0.661313 0.083767 0.273745 Si\n0.161313 0.416233 0.726255 Si\n0.338687 0.916233 0.726255 Si\n0.838687 0.583767 0.273745 Si\n0.338748 0.523380 0.227551 Si\n0.838748 0.976620 0.772449 Si\n0.661252 0.476620 0.772449 Si\n0.161252 0.023380 0.227551 Si\n0.836408 0.302403 0.473946 Si\n0.336408 0.197597 0.526054 Si\n0.163592 0.697597 0.526054 Si\n0.663592 0.802403 0.473946 Si\n0.839937 0.260139 0.065196 O\n0.339937 0.239861 0.934804 O\n0.160063 0.739861 0.934804 O\n0.660063 0.760139 0.065196 O\n0.997142 0.248518 0.936582 O\n0.497142 0.251482 0.063418 O\n0.002858 0.751482 0.063418 O\n0.502858 0.748518 0.936582 O\n0.718013 0.053167 0.946906 O\n0.218013 0.446833 0.053094 O\n0.281987 0.946833 0.053094 O\n0.781987 0.553167 0.946906 O\n0.662007 0.089302 0.185501 O\n0.162007 0.410698 0.814499 O\n0.337993 0.910698 0.814499 O\n0.837993 0.589302 0.185501 O\n0.505341 0.052210 0.314434 O\n0.005341 0.447790 0.685566 O\n0.494659 0.947790 0.685566 O\n0.994659 0.552210 0.314434 O\n0.713416 0.373165 0.303069 O\n0.213416 0.126835 0.696931 O\n0.286584 0.626835 0.696931 O\n0.786584 0.873165 0.303069 O\n0.341707 0.531291 0.316088 O\n0.841707 0.968709 0.683912 O\n0.658293 0.468709 0.683912 O\n0.158293 0.031291 0.316088 O\n0.487993 0.611520 0.185514 O\n0.987993 0.888480 0.814486 O\n0.512007 0.388480 0.814486 O\n0.012007 0.111520 0.185514 O\n0.292979 0.230002 0.200520 O\n0.792979 0.269998 0.799480 O\n0.707021 0.769998 0.799480 O\n0.207021 0.730002 0.200520 O\n0.838816 0.301866 0.562416 O\n0.338816 0.198134 0.437584 O\n0.161184 0.698134 0.437584 O\n0.661184 0.801866 0.562416 O\n0.981622 0.194407 0.433354 O\n0.481622 0.305593 0.566646 O\n0.018378 0.805593 0.566646 O\n0.518378 0.694407 0.433354 O\n0.696270 0.106960 0.448253 O\n0.196270 0.393040 0.551747 O\n0.303730 0.893040 0.551747 O\n0.803730 0.606960 0.448253 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.0486845611569504,
"density_atomic": 0.09144260044442587,
"volume": 874.8657585325333,
"volume_molar": 6.585705929983858,
"formula_full": "Mg16 Si16 O48",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy": -608.06239984,
"energy_per_atom": -7.600779998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -575.08639984,
"band_gap": 4.642100000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.857000Z",
"spacegroup": 14
},
{
"id": "mp-1211034",
"created_at": "2022-09-04T14:46:58.948166Z",
"structure_string": "Mg4 Si8 O22\n1.0\n8.884599 6.947037 0.000000\n-8.884599 6.947037 0.000000\n0.000000 1.062019 5.236199\nMg Si O\n4 8 22\ndirect\n0.154607 0.845393 0.500000 Mg\n0.845393 0.154607 0.500000 Mg\n0.102871 0.897129 0.000000 Mg\n0.897129 0.102871 0.000000 Mg\n0.297272 0.122679 0.599135 Si\n0.702728 0.877321 0.400865 Si\n0.877321 0.702728 0.400865 Si\n0.122679 0.297272 0.599135 Si\n0.377696 0.044076 0.097588 Si\n0.622304 0.955924 0.902412 Si\n0.955924 0.622304 0.902412 Si\n0.044076 0.377696 0.097588 Si\n0.259896 0.922159 0.170112 O\n0.740104 0.077841 0.829888 O\n0.077841 0.740104 0.829888 O\n0.922159 0.259896 0.170112 O\n0.396103 0.114590 0.349650 O\n0.603897 0.885410 0.650350 O\n0.885410 0.603897 0.650350 O\n0.114590 0.396103 0.349650 O\n0.637194 0.857994 0.144421 O\n0.362806 0.142006 0.855579 O\n0.142006 0.362806 0.855579 O\n0.857994 0.637194 0.144421 O\n0.241255 0.241255 0.529219 O\n0.758745 0.758745 0.470781 O\n0.060469 0.060469 0.096934 O\n0.939531 0.939531 0.903066 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.191630 0.992295 0.663805 O\n0.808370 0.007705 0.336195 O\n0.007705 0.808370 0.336195 O\n0.992295 0.191630 0.663805 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 1.7312310905596286,
"density_atomic": 0.05260116161956864,
"volume": 646.3735581716003,
"volume_molar": 11.448683973092427,
"formula_full": "Mg4 Si8 O22",
"formula_reduced": "Mg2Si4O11",
"formula_anonymous": "A2B4C11",
"energy": -257.43376642,
"energy_per_atom": -7.571581365294117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -242.31976642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.077000Z",
"spacegroup": 12
},
{
"id": "mp-1181528",
"created_at": "2022-09-04T14:46:07.443590Z",
"structure_string": "Mg8 Si8 O24\n1.0\n6.059583 0.000000 -1.371401\n0.000000 11.408380 0.000000\n-1.073495 0.000000 7.719662\nMg Si O\n8 8 24\ndirect\n0.918711 0.958005 0.729685 Mg\n0.593030 0.815557 0.358383 Mg\n0.581289 0.458005 0.270315 Mg\n0.081289 0.041995 0.270315 Mg\n0.406971 0.184443 0.641617 Mg\n0.093029 0.684443 0.358383 Mg\n0.906970 0.315557 0.641617 Mg\n0.418711 0.541995 0.729685 Mg\n0.168428 0.396454 0.381783 Si\n0.691233 0.876317 0.001029 Si\n0.308767 0.123683 0.998971 Si\n0.331572 0.896454 0.618217 Si\n0.831572 0.603546 0.618217 Si\n0.668428 0.103546 0.381783 Si\n0.191233 0.623683 0.001029 Si\n0.808767 0.376317 0.998971 Si\n0.222842 0.529656 0.465022 O\n0.614755 0.900628 0.781059 O\n0.666212 0.192674 0.546995 O\n0.385245 0.099372 0.218941 O\n0.114755 0.599372 0.781059 O\n0.332240 0.357725 0.273531 O\n0.513601 0.843666 0.093988 O\n0.885245 0.400628 0.218941 O\n0.667760 0.642275 0.726469 O\n0.450218 0.592841 0.108724 O\n0.722842 0.970344 0.465022 O\n0.167760 0.857725 0.726469 O\n0.777158 0.470344 0.534978 O\n0.013601 0.656334 0.093988 O\n0.833788 0.692674 0.453005 O\n0.832240 0.142275 0.273531 O\n0.166212 0.307326 0.546995 O\n0.049782 0.092841 0.891276 O\n0.486399 0.156334 0.906012 O\n0.277158 0.029656 0.534978 O\n0.549782 0.407159 0.891276 O\n0.333788 0.807326 0.453005 O\n0.986399 0.343666 0.906012 O\n0.950218 0.907159 0.108724 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.5801603853925634,
"density_atomic": 0.07738963164967519,
"volume": 516.8651038561686,
"volume_molar": 7.781586023384666,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy": -292.4200387,
"energy_per_atom": -7.3105009675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.9320387,
"band_gap": 3.0501,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0036978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.040000Z",
"spacegroup": 14
},
{
"id": "mp-5392",
"created_at": "2022-09-04T14:46:07.568109Z",
"structure_string": "Mg8 Si4 O16\n1.0\n-2.926181 4.476190 5.796826\n2.926181 -4.476190 5.796826\n2.926181 4.476190 -5.796826\nMg Si O\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.305564 0.750000 0.555564 Mg\n0.694436 0.250000 0.444436 Mg\n0.367984 0.867984 0.000000 Mg\n0.632016 0.632016 0.500000 Mg\n0.632016 0.132016 0.000000 Mg\n0.367984 0.367984 0.500000 Mg\n0.263903 0.889982 0.373922 Si\n0.736097 0.110019 0.626078 Si\n0.983940 0.610019 0.373922 Si\n0.016060 0.389982 0.626078 Si\n0.888402 0.601825 0.720554 O\n0.111598 0.832152 0.713423 O\n0.618729 0.898175 0.286577 O\n0.381271 0.667848 0.279446 O\n0.111598 0.398175 0.279446 O\n0.888402 0.167848 0.286577 O\n0.381271 0.101825 0.713423 O\n0.618729 0.332152 0.720554 O\n0.246324 0.490820 0.755504 O\n0.753676 0.509180 0.244496 O\n0.764683 0.009179 0.755504 O\n0.235317 0.990821 0.244496 O\n0.514062 0.750000 0.764062 O\n0.485938 0.250000 0.235938 O\n0.060745 0.750000 0.310745 O\n0.939255 0.250000 0.689255 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.0769605845299024,
"density_atomic": 0.09219302745898796,
"volume": 303.7106034125606,
"volume_molar": 6.532100014482059,
"formula_full": "Mg8 Si4 O16",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy": -194.28021358,
"energy_per_atom": -6.938579056428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.28821358,
"band_gap": 3.5344,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.021000Z",
"spacegroup": 74
},
{
"id": "mp-1180703",
"created_at": "2022-09-04T14:48:13.154535Z",
"structure_string": "Mg4 Si4 O12\n1.0\n6.205360 1.310409 3.058196\n2.788376 6.536102 3.129367\n1.670575 2.191272 7.259208\nMg Si O\n4 4 12\ndirect\n0.750000 0.770496 0.229504 Mg\n0.750000 0.250710 0.749290 Mg\n0.250000 0.229504 0.770496 Mg\n0.250000 0.749290 0.250710 Mg\n0.692179 0.790447 0.685381 Si\n0.807821 0.314619 0.209553 Si\n0.192179 0.685381 0.790447 Si\n0.307821 0.209553 0.314619 Si\n0.640695 0.116059 0.506305 O\n0.372992 0.443778 0.734363 O\n0.872992 0.734363 0.443778 O\n0.127008 0.265637 0.556222 O\n0.386863 0.831742 0.895243 O\n0.613137 0.168258 0.104757 O\n0.359305 0.883941 0.493695 O\n0.886863 0.895243 0.831742 O\n0.113137 0.104757 0.168258 O\n0.627008 0.556222 0.265637 O\n0.140695 0.506305 0.116059 O\n0.859305 0.493695 0.883941 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.065839292845121,
"density_atomic": 0.09195714146827566,
"volume": 217.49262407096256,
"volume_molar": 6.548855982085505,
"formula_full": "Mg4 Si4 O12",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy": -144.1697122,
"energy_per_atom": -7.208485609999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.9257122,
"band_gap": 2.2265000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.359000Z",
"spacegroup": 15
},
{
"id": "mp-1180416",
"created_at": "2022-09-04T14:48:16.993108Z",
"structure_string": "Mg20 Si6 O36\n1.0\n5.151617 0.000000 0.000000\n0.000000 8.766502 0.000000\n0.000000 0.000000 14.156477\nMg Si O\n20 6 36\ndirect\n0.827337 0.500000 0.673534 Mg\n0.327337 0.000000 0.826466 Mg\n0.500000 0.157098 0.500000 Mg\n0.500000 0.842902 0.500000 Mg\n0.000000 0.342902 0.000000 Mg\n0.000000 0.657098 0.000000 Mg\n0.645946 0.321145 0.324267 Mg\n0.645946 0.678855 0.324267 Mg\n0.145946 0.178855 0.175733 Mg\n0.145946 0.821145 0.175733 Mg\n0.354054 0.321145 0.675733 Mg\n0.354054 0.678855 0.675733 Mg\n0.854054 0.178855 0.824267 Mg\n0.854054 0.821145 0.824267 Mg\n0.172663 0.500000 0.326466 Mg\n0.672663 0.000000 0.173534 Mg\n0.000000 0.321298 0.500000 Mg\n0.000000 0.678702 0.500000 Mg\n0.500000 0.178702 0.000000 Mg\n0.500000 0.821298 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.002809 0.000000 0.623762 Si\n0.502809 0.500000 0.876238 Si\n0.997191 0.000000 0.376238 Si\n0.497191 0.500000 0.123762 Si\n0.012221 0.335393 0.743421 O\n0.012221 0.664607 0.743421 O\n0.512221 0.164607 0.756579 O\n0.512221 0.835393 0.756579 O\n0.498675 0.500000 0.757358 O\n0.998675 0.000000 0.742642 O\n0.199206 0.500000 0.577028 O\n0.699206 0.000000 0.922972 O\n0.644284 0.353576 0.573189 O\n0.644284 0.646424 0.573189 O\n0.144284 0.146424 0.926811 O\n0.144284 0.853576 0.926811 O\n0.162395 0.156978 0.587752 O\n0.162395 0.843022 0.587752 O\n0.662395 0.343022 0.912248 O\n0.662395 0.656978 0.912248 O\n0.706069 0.000000 0.579028 O\n0.206069 0.500000 0.920972 O\n0.800794 0.500000 0.422972 O\n0.300794 0.000000 0.077028 O\n0.355716 0.353576 0.426811 O\n0.355716 0.646424 0.426811 O\n0.855716 0.146424 0.073189 O\n0.855716 0.853576 0.073189 O\n0.837605 0.156978 0.412248 O\n0.837605 0.843022 0.412248 O\n0.337605 0.343022 0.087752 O\n0.337605 0.656978 0.087752 O\n0.293931 0.000000 0.420972 O\n0.793931 0.500000 0.079028 O\n0.501325 0.500000 0.242642 O\n0.001325 0.000000 0.257358 O\n0.987779 0.335393 0.256579 O\n0.987779 0.664607 0.256579 O\n0.487779 0.164607 0.243421 O\n0.487779 0.835393 0.243421 O\n",
"nsites": 62,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.1962289554638326,
"density_atomic": 0.09697652055863941,
"volume": 639.3300114589084,
"volume_molar": 6.209895679190258,
"formula_full": "Mg20 Si6 O36",
"formula_reduced": "Mg10(SiO6)3",
"formula_anonymous": "A3B10C18",
"energy": -418.65977328,
"energy_per_atom": -6.752576988387097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -393.92777328,
"band_gap": 0.0331000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0023596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:04.523000Z",
"spacegroup": 58
},
{
"id": "mp-772412",
"created_at": "2022-09-04T14:48:13.405549Z",
"structure_string": "Mg16 Si16 O48\n1.0\n-5.820782 5.820782 5.771321\n5.820782 -5.820782 5.771321\n5.820782 5.820782 -5.771321\nMg Si O\n16 16 48\ndirect\n0.002154 0.502153 0.500000 Mg\n0.752153 0.752153 0.000000 Mg\n0.125000 0.375000 0.250000 Mg\n0.487842 0.623845 0.391953 Mg\n0.018108 0.654110 0.891953 Mg\n0.345890 0.237842 0.363998 Mg\n0.376155 0.768108 0.863998 Mg\n0.125000 0.875000 0.250000 Mg\n0.625000 0.875000 0.750000 Mg\n0.873845 0.981892 0.636002 Mg\n0.904110 0.512158 0.136002 Mg\n0.231892 0.095890 0.608047 Mg\n0.762158 0.126155 0.108047 Mg\n0.497847 0.997846 0.500000 Mg\n0.125000 0.875000 0.750000 Mg\n0.247847 0.247847 0.000000 Mg\n0.859008 0.745049 0.364498 Si\n0.625000 0.375000 0.250000 Si\n0.744510 0.609008 0.613959 Si\n0.625000 0.875000 0.250000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n0.625000 0.375000 0.750000 Si\n0.995049 0.130551 0.386041 Si\n0.869449 0.255490 0.864498 Si\n0.125000 0.375000 0.750000 Si\n0.380551 0.494510 0.635502 Si\n0.254951 0.619449 0.113959 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.505490 0.140992 0.886041 Si\n0.390992 0.004951 0.135502 Si\n0.713968 0.793953 0.367163 O\n0.710728 0.758393 0.621536 O\n0.809931 0.558311 0.337592 O\n0.740203 0.306371 0.361573 O\n0.093706 0.569243 0.350217 O\n0.441689 0.779282 0.251620 O\n0.722338 0.559931 0.751620 O\n0.931682 0.648780 0.665161 O\n0.983619 0.266521 0.334839 O\n0.693629 0.055202 0.433832 O\n0.628631 0.490203 0.933832 O\n0.219026 0.743489 0.649783 O\n0.993489 0.843706 0.024463 O\n0.430757 0.780974 0.524463 O\n0.944798 0.378631 0.638427 O\n0.823211 0.403196 0.867163 O\n0.339192 0.460728 0.452336 O\n0.241607 0.863144 0.952336 O\n0.733479 0.068318 0.717098 O\n0.898780 0.733619 0.217098 O\n0.220718 0.472338 0.662408 O\n0.136856 0.089192 0.378464 O\n0.043953 0.176789 0.579985 O\n0.653196 0.286032 0.079985 O\n0.206047 0.573211 0.920015 O\n0.596804 0.463968 0.420015 O\n0.113144 0.660808 0.121536 O\n0.029282 0.277662 0.837592 O\n0.516521 0.681682 0.782902 O\n0.351220 0.016381 0.282902 O\n0.008393 0.886856 0.547664 O\n0.910808 0.289272 0.047664 O\n0.426789 0.346804 0.632837 O\n0.305202 0.371369 0.861573 O\n0.256511 0.906294 0.475537 O\n0.819243 0.969026 0.975537 O\n0.030974 0.006511 0.850217 O\n0.556371 0.694798 0.066168 O\n0.621369 0.259797 0.566168 O\n0.266381 0.483479 0.165161 O\n0.318318 0.101220 0.834839 O\n0.527662 0.190069 0.748380 O\n0.808311 0.970718 0.248380 O\n0.156294 0.180757 0.149783 O\n0.509797 0.443629 0.138427 O\n0.440069 0.191689 0.162408 O\n0.539272 0.991607 0.878464 O\n0.536032 0.956047 0.132837 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.4100128844836592,
"density_atomic": 0.10228032433366939,
"volume": 782.1641212147097,
"volume_molar": 5.887878044220855,
"formula_full": "Mg16 Si16 O48",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy": -601.78028397,
"energy_per_atom": -7.522253549625001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -568.80428397,
"band_gap": 4.7719,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.232000Z",
"spacegroup": 88
}
]
}