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=11541",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=11539",
"results": [
{
"id": "mp-669426",
"created_at": "2022-09-04T14:47:23.953637Z",
"structure_string": "Si8 O16\n1.0\n5.007623 0.000000 0.000000\n0.000000 8.734118 0.000000\n0.000000 5.622378 8.283020\nSi O\n8 16\ndirect\n0.887104 0.875023 0.294372 Si\n0.763651 0.625390 0.669554 Si\n0.736349 0.625390 0.169554 Si\n0.612896 0.875023 0.794372 Si\n0.112896 0.124977 0.705628 Si\n0.263651 0.374610 0.830446 Si\n0.236349 0.374610 0.330446 Si\n0.387104 0.124977 0.205628 Si\n0.350954 0.287294 0.015787 O\n0.149046 0.287294 0.515787 O\n0.516227 0.484195 0.712193 O\n0.171912 0.209624 0.811324 O\n0.806546 0.050783 0.738222 O\n0.983773 0.484195 0.212193 O\n0.306546 0.949217 0.761778 O\n0.193454 0.949217 0.261778 O\n0.671912 0.790376 0.688676 O\n0.649046 0.712706 0.984213 O\n0.016227 0.515805 0.787807 O\n0.850954 0.712706 0.484213 O\n0.828088 0.790376 0.188676 O\n0.483773 0.515805 0.287807 O\n0.328088 0.209624 0.311324 O\n0.693454 0.050783 0.238222 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.203234379857348,
"density_atomic": 0.06624785959405766,
"volume": 362.27585535688416,
"volume_molar": 9.090317478785652,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -200.86282435,
"energy_per_atom": -8.369284347916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.87082435,
"band_gap": 5.537999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.539000Z",
"spacegroup": 14
},
{
"id": "mp-557723",
"created_at": "2022-09-04T14:47:21.100193Z",
"structure_string": "Si12 O24\n1.0\n3.433122 -5.946341 0.000000\n3.433122 5.946341 0.000000\n0.000000 0.000000 13.588059\nSi O\n12 24\ndirect\n0.177273 0.772250 0.048893 Si\n0.772250 0.594977 0.382226 Si\n0.594977 0.822727 0.715560 Si\n0.227750 0.405023 0.382226 Si\n0.772250 0.177273 0.284440 Si\n0.405023 0.177273 0.715560 Si\n0.177273 0.405023 0.617774 Si\n0.822727 0.594977 0.617774 Si\n0.594977 0.772250 0.951107 Si\n0.405023 0.227750 0.951107 Si\n0.227750 0.822727 0.284440 Si\n0.822727 0.227750 0.048893 Si\n0.812332 0.624665 0.500000 O\n0.000000 0.183483 0.333333 O\n0.000000 0.500000 0.637025 O\n0.000000 0.816517 0.333333 O\n0.787430 0.393715 0.333333 O\n0.393715 0.787430 0.000000 O\n0.500000 0.500000 0.970358 O\n0.500000 0.000000 0.696308 O\n0.183483 0.183483 0.666667 O\n0.187668 0.375335 0.500000 O\n0.816517 0.000000 0.000000 O\n0.393715 0.606285 0.666667 O\n0.816517 0.816517 0.666667 O\n0.000000 0.500000 0.029642 O\n0.500000 0.000000 0.303692 O\n0.500000 0.500000 0.362975 O\n0.606285 0.212570 0.000000 O\n0.187668 0.812332 0.166667 O\n0.812332 0.187668 0.166667 O\n0.212570 0.606285 0.333333 O\n0.183483 0.000000 0.000000 O\n0.606285 0.393715 0.666667 O\n0.624665 0.812332 0.833333 O\n0.375335 0.187668 0.833333 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.1580667934051334,
"density_atomic": 0.06488973993468555,
"volume": 554.7872442736806,
"volume_molar": 9.280574657968357,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -291.57455624,
"energy_per_atom": -8.09929322888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.08655624,
"band_gap": 3.6466,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.144000Z",
"spacegroup": 181
},
{
"id": "mp-557194",
"created_at": "2022-09-04T14:48:22.359028Z",
"structure_string": "Si6 O12\n1.0\n4.392234 -7.607572 0.000000\n4.392234 7.607572 0.000000\n0.000000 0.000000 4.298230\nSi O\n6 12\ndirect\n0.000000 0.659332 0.337913 Si\n0.659332 0.000000 0.337913 Si\n0.340668 0.000000 0.662087 Si\n0.340668 0.340668 0.337913 Si\n0.000000 0.340668 0.662087 Si\n0.659332 0.659332 0.662087 Si\n0.666967 0.833484 0.500000 O\n0.000000 0.500000 0.000000 O\n0.166516 0.833484 0.500000 O\n0.166516 0.333033 0.500000 O\n0.500000 0.500000 0.500000 O\n0.833484 0.666967 0.500000 O\n0.333033 0.166516 0.500000 O\n0.833484 0.166516 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.0840597509336916,
"density_atomic": 0.06266446231400091,
"volume": 287.2441466074515,
"volume_molar": 9.610137129756387,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -128.12223808,
"energy_per_atom": -7.117902115555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.87823808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3341708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.811000Z",
"spacegroup": 162
},
{
"id": "mp-542814",
"created_at": "2022-09-04T14:48:21.754066Z",
"structure_string": "Si24 O48\n1.0\n5.083753 0.000000 0.000000\n0.000000 8.466796 0.000000\n0.000000 0.000000 26.908037\nSi O\n24 48\ndirect\n0.613458 0.677074 0.138842 Si\n0.113458 0.822926 0.861158 Si\n0.386542 0.177074 0.361158 Si\n0.886542 0.322926 0.638842 Si\n0.497271 0.302310 0.138716 Si\n0.997271 0.197690 0.861284 Si\n0.502729 0.802310 0.361284 Si\n0.002729 0.697690 0.638716 Si\n0.616631 0.810796 0.027875 Si\n0.116631 0.689204 0.972125 Si\n0.383369 0.310796 0.472125 Si\n0.883369 0.189204 0.527875 Si\n0.500534 0.186048 0.027868 Si\n0.000534 0.313952 0.972132 Si\n0.499466 0.686048 0.472132 Si\n0.999466 0.813952 0.527868 Si\n0.114259 0.799430 0.194672 Si\n0.614259 0.700570 0.805328 Si\n0.885741 0.299430 0.305328 Si\n0.385741 0.200570 0.694672 Si\n0.996466 0.173861 0.194257 Si\n0.496466 0.326139 0.805743 Si\n0.003534 0.673861 0.305743 Si\n0.503534 0.826139 0.694257 Si\n0.065459 0.987785 0.194902 O\n0.565459 0.512215 0.805098 O\n0.934541 0.487785 0.305098 O\n0.434541 0.012215 0.694902 O\n0.567028 0.488376 0.139672 O\n0.067028 0.011624 0.860328 O\n0.432972 0.988376 0.360328 O\n0.932972 0.511624 0.639672 O\n0.572829 0.000034 0.028526 O\n0.072829 0.499966 0.971474 O\n0.427171 0.500034 0.471474 O\n0.927171 0.999966 0.528526 O\n0.564156 0.741412 0.083014 O\n0.064156 0.758588 0.916986 O\n0.435844 0.241412 0.416986 O\n0.935844 0.258588 0.583014 O\n0.416143 0.245892 0.083040 O\n0.916143 0.254108 0.916960 O\n0.583857 0.745892 0.416960 O\n0.083857 0.754108 0.583040 O\n0.918956 0.231488 0.249569 O\n0.418956 0.268512 0.750431 O\n0.081044 0.731488 0.250431 O\n0.581044 0.768512 0.749569 O\n0.414170 0.765709 0.176853 O\n0.914170 0.734291 0.823147 O\n0.585830 0.265709 0.323147 O\n0.085830 0.234291 0.676853 O\n0.250452 0.274186 0.175883 O\n0.750452 0.225814 0.824117 O\n0.749548 0.774186 0.324117 O\n0.249548 0.725814 0.675883 O\n0.913610 0.712673 0.156357 O\n0.413610 0.787327 0.843643 O\n0.086390 0.212673 0.343643 O\n0.586390 0.287327 0.656357 O\n0.750940 0.200436 0.156560 O\n0.250940 0.299564 0.843440 O\n0.249060 0.700436 0.343440 O\n0.749060 0.799564 0.656560 O\n0.417815 0.726586 0.988646 O\n0.917815 0.773414 0.011354 O\n0.582185 0.226586 0.511354 O\n0.082185 0.273414 0.488646 O\n0.253458 0.212007 0.990470 O\n0.753458 0.287993 0.009530 O\n0.746542 0.712007 0.509530 O\n0.246542 0.787993 0.490470 O\n",
"nsites": 72,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.0674536941630506,
"density_atomic": 0.06216514379963404,
"volume": 1158.2053157001442,
"volume_molar": 9.687327000175703,
"formula_full": "Si24 O48",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -602.62918731,
"energy_per_atom": -8.36984982375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -569.65318731,
"band_gap": 5.7162,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.314000Z",
"spacegroup": 19
},
{
"id": "mp-557211",
"created_at": "2022-09-04T14:48:23.273945Z",
"structure_string": "Si24 O48\n1.0\n6.888417 -11.931088 0.000000\n6.888417 11.931088 0.000000\n0.000000 0.000000 9.034788\nSi O\n24 48\ndirect\n0.330578 0.869455 0.073589 Si\n0.538877 0.869455 0.926411 Si\n0.130545 0.461123 0.426411 Si\n0.869455 0.538877 0.926411 Si\n0.461123 0.130545 0.073589 Si\n0.461123 0.330578 0.573589 Si\n0.130545 0.669422 0.926411 Si\n0.461123 0.330578 0.926411 Si\n0.669422 0.130545 0.573589 Si\n0.461123 0.130545 0.426411 Si\n0.330578 0.461123 0.573589 Si\n0.869455 0.330578 0.426411 Si\n0.538877 0.669422 0.426411 Si\n0.330578 0.461123 0.926411 Si\n0.330578 0.869455 0.426411 Si\n0.669422 0.130545 0.926411 Si\n0.538877 0.669422 0.073589 Si\n0.130545 0.669422 0.573589 Si\n0.130545 0.461123 0.073589 Si\n0.869455 0.330578 0.073589 Si\n0.669422 0.538877 0.426411 Si\n0.869455 0.538877 0.573589 Si\n0.538877 0.869455 0.573589 Si\n0.669422 0.538877 0.073589 Si\n0.584350 0.792175 0.500000 O\n0.415650 0.207825 0.000000 O\n0.792175 0.207825 0.000000 O\n0.630991 0.630991 0.041734 O\n0.207825 0.792175 0.000000 O\n0.154299 0.675643 0.750000 O\n0.207825 0.415650 0.000000 O\n0.845701 0.521345 0.750000 O\n0.207825 0.792175 0.500000 O\n0.792175 0.584350 0.000000 O\n0.418913 0.837826 0.000000 O\n0.478655 0.154299 0.250000 O\n0.000000 0.369009 0.041734 O\n0.630991 0.000000 0.958266 O\n0.675643 0.154299 0.750000 O\n0.418913 0.581087 0.500000 O\n0.521345 0.845701 0.750000 O\n0.584350 0.792175 0.000000 O\n0.845701 0.324357 0.250000 O\n0.581087 0.418913 0.500000 O\n0.415650 0.207825 0.500000 O\n0.837826 0.418913 0.500000 O\n0.207825 0.415650 0.500000 O\n0.000000 0.630991 0.541734 O\n0.000000 0.630991 0.958266 O\n0.630991 0.000000 0.541734 O\n0.000000 0.369009 0.458266 O\n0.418913 0.837826 0.500000 O\n0.369009 0.000000 0.041734 O\n0.324357 0.845701 0.250000 O\n0.675643 0.521345 0.250000 O\n0.478655 0.324357 0.750000 O\n0.581087 0.418913 0.000000 O\n0.154299 0.478655 0.250000 O\n0.369009 0.369009 0.541734 O\n0.837826 0.418913 0.000000 O\n0.521345 0.675643 0.250000 O\n0.369009 0.369009 0.958266 O\n0.630991 0.630991 0.458266 O\n0.581087 0.162174 0.000000 O\n0.162174 0.581087 0.000000 O\n0.418913 0.581087 0.000000 O\n0.369009 0.000000 0.458266 O\n0.792175 0.207825 0.500000 O\n0.792175 0.584350 0.500000 O\n0.324357 0.478655 0.750000 O\n0.581087 0.162174 0.500000 O\n0.162174 0.581087 0.500000 O\n",
"nsites": 72,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.6124041387002743,
"density_atomic": 0.04848250552281658,
"volume": 1485.071764001878,
"volume_molar": 12.421265557667791,
"formula_full": "Si24 O48",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -602.14218342,
"energy_per_atom": -8.363085880833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -569.16618342,
"band_gap": 5.5604,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:39.345000Z",
"spacegroup": 193
},
{
"id": "mp-646895",
"created_at": "2022-09-04T14:48:21.687857Z",
"structure_string": "Si32 O64\n1.0\n17.220301 2.558088 0.000000\n-17.220301 2.558088 0.000000\n0.000000 0.317276 21.571730\nSi O\n32 64\ndirect\n0.831952 0.073053 0.855448 Si\n0.237304 0.684113 0.566787 Si\n0.376816 0.714850 0.678573 Si\n0.989896 0.924024 0.320675 Si\n0.060040 0.835613 0.504261 Si\n0.315887 0.762696 0.933213 Si\n0.164387 0.939959 0.995739 Si\n0.457556 0.436744 0.396871 Si\n0.542444 0.563256 0.603129 Si\n0.168048 0.926947 0.144552 Si\n0.762696 0.315887 0.433213 Si\n0.505738 0.380838 0.521825 Si\n0.380838 0.505738 0.021825 Si\n0.285150 0.623184 0.821427 Si\n0.165681 0.766496 0.990043 Si\n0.623184 0.285150 0.321427 Si\n0.233504 0.834319 0.509957 Si\n0.010104 0.075976 0.679325 Si\n0.714850 0.376816 0.178573 Si\n0.494262 0.619162 0.478175 Si\n0.563256 0.542444 0.103129 Si\n0.939959 0.164387 0.495739 Si\n0.436744 0.457556 0.896871 Si\n0.684113 0.237304 0.066787 Si\n0.834319 0.233504 0.009957 Si\n0.924024 0.989896 0.820675 Si\n0.835613 0.060041 0.004261 Si\n0.926947 0.168048 0.644552 Si\n0.619162 0.494262 0.978175 Si\n0.075976 0.010104 0.179325 Si\n0.766496 0.165681 0.490043 Si\n0.073053 0.831952 0.355448 Si\n0.872784 0.102704 0.929532 O\n0.362699 0.316221 0.155675 O\n0.781604 0.240228 0.431824 O\n0.248174 0.443632 0.478392 O\n0.850831 0.161188 0.466014 O\n0.714890 0.299826 0.136279 O\n0.232745 0.071490 0.531614 O\n0.982596 0.017404 0.750000 O\n0.124677 0.533873 0.982301 O\n0.875323 0.466127 0.017699 O\n0.478722 0.209656 0.159484 O\n0.090355 0.931249 0.321175 O\n0.853262 0.830397 0.132894 O\n0.209656 0.478722 0.659484 O\n0.838812 0.149169 0.033986 O\n0.683779 0.637301 0.344325 O\n0.443632 0.248174 0.978392 O\n0.556368 0.751826 0.021608 O\n0.909645 0.068751 0.678825 O\n0.102704 0.872784 0.429532 O\n0.466127 0.875323 0.517699 O\n0.218396 0.759772 0.568176 O\n0.790344 0.521278 0.340516 O\n0.533121 0.465766 0.579572 O\n0.169603 0.146738 0.367106 O\n0.127216 0.897296 0.070468 O\n0.751826 0.556368 0.521608 O\n0.682070 0.317930 0.250000 O\n0.316221 0.362699 0.655675 O\n0.161188 0.850831 0.966014 O\n0.931249 0.090355 0.821175 O\n0.995479 0.689851 0.170452 O\n0.380242 0.959371 0.044944 O\n0.317930 0.682070 0.750000 O\n0.465766 0.533121 0.079572 O\n0.146738 0.169603 0.867106 O\n0.040629 0.619758 0.455056 O\n0.501820 0.422368 0.455940 O\n0.521278 0.790344 0.840516 O\n0.466879 0.534234 0.420428 O\n0.422368 0.501820 0.955940 O\n0.700174 0.285110 0.363721 O\n0.959371 0.380242 0.544944 O\n0.689851 0.995479 0.670452 O\n0.534234 0.466879 0.920428 O\n0.004521 0.310149 0.829548 O\n0.310149 0.004521 0.329548 O\n0.299826 0.714890 0.636279 O\n0.928510 0.767255 0.968386 O\n0.830397 0.853262 0.632894 O\n0.897296 0.127216 0.570468 O\n0.240228 0.781604 0.931824 O\n0.149169 0.838812 0.533986 O\n0.577632 0.498180 0.044060 O\n0.017404 0.982596 0.250000 O\n0.498180 0.577632 0.544060 O\n0.637301 0.683779 0.844325 O\n0.285110 0.700174 0.863721 O\n0.759772 0.218396 0.068176 O\n0.619758 0.040629 0.955056 O\n0.071490 0.232745 0.031614 O\n0.767255 0.928510 0.468386 O\n0.533873 0.124677 0.482301 O\n0.068751 0.909645 0.178825 O\n",
"nsites": 96,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.6799211248279624,
"density_atomic": 0.050512637159329354,
"volume": 1900.5145127781043,
"volume_molar": 11.922047825388086,
"formula_full": "Si32 O64",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -802.56082859,
"energy_per_atom": -8.360008631145833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -758.59282859,
"band_gap": 5.7207,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0307512,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.566000Z",
"spacegroup": 15
},
{
"id": "mp-558115",
"created_at": "2022-09-04T14:48:22.424444Z",
"structure_string": "Si40 O80\n1.0\n14.551761 -6.960310 0.000000\n14.551761 6.960310 0.000000\n11.222548 0.000000 11.586806\nSi O\n40 80\ndirect\n0.769957 0.129582 0.772842 Si\n0.813402 0.384651 0.009588 Si\n0.772825 0.030047 0.400073 Si\n0.030047 0.400073 0.772825 Si\n0.011499 0.223049 0.765151 Si\n0.227175 0.969953 0.599927 Si\n0.213594 0.213594 0.213594 Si\n0.615614 0.647578 0.233813 Si\n0.230043 0.870418 0.227158 Si\n0.615349 0.990412 0.186598 Si\n0.129582 0.772842 0.769957 Si\n0.223049 0.765151 0.011499 Si\n0.599927 0.227175 0.969953 Si\n0.766187 0.384386 0.352422 Si\n0.227158 0.230043 0.870418 Si\n0.009588 0.813402 0.384651 Si\n0.647578 0.233813 0.615614 Si\n0.026361 0.647471 0.628920 Si\n0.186598 0.615349 0.990412 Si\n0.765151 0.011499 0.223049 Si\n0.988501 0.776951 0.234849 Si\n0.371080 0.973639 0.352529 Si\n0.786406 0.786406 0.786406 Si\n0.772842 0.769957 0.129582 Si\n0.863152 0.863152 0.863152 Si\n0.776951 0.234849 0.988501 Si\n0.400073 0.772825 0.030047 Si\n0.352422 0.766187 0.384386 Si\n0.969953 0.599927 0.227175 Si\n0.384651 0.009588 0.813402 Si\n0.870418 0.227158 0.230043 Si\n0.990412 0.186598 0.615349 Si\n0.233813 0.615614 0.647578 Si\n0.352529 0.371080 0.973639 Si\n0.647471 0.628920 0.026361 Si\n0.973639 0.352529 0.371080 Si\n0.628920 0.026361 0.647471 Si\n0.234849 0.988501 0.776951 Si\n0.384386 0.352422 0.766187 Si\n0.136848 0.136848 0.136848 Si\n0.523892 0.668097 0.032275 O\n0.967725 0.476108 0.331903 O\n0.951398 0.281859 0.506976 O\n0.752366 0.344317 0.996958 O\n0.104625 0.791544 0.120807 O\n0.331903 0.967725 0.476108 O\n0.702714 0.899844 0.718377 O\n0.722007 0.893042 0.132148 O\n0.824814 0.824814 0.824814 O\n0.175186 0.175186 0.175186 O\n0.281859 0.506976 0.951398 O\n0.780036 0.996504 0.850736 O\n0.309047 0.683942 0.519623 O\n0.815221 0.333261 0.262709 O\n0.149264 0.219964 0.003496 O\n0.887544 0.916246 0.420656 O\n0.247634 0.655683 0.003042 O\n0.916246 0.420656 0.887544 O\n0.867852 0.277993 0.106958 O\n0.796783 0.146077 0.329928 O\n0.032275 0.523892 0.668097 O\n0.277993 0.106958 0.867852 O\n0.262709 0.815221 0.333261 O\n0.112456 0.083754 0.579344 O\n0.146077 0.329928 0.796783 O\n0.476108 0.331903 0.967725 O\n0.352246 0.874448 0.371404 O\n0.266834 0.972638 0.668931 O\n0.316058 0.480377 0.690953 O\n0.874448 0.371404 0.352246 O\n0.519623 0.309047 0.683942 O\n0.895375 0.208456 0.879193 O\n0.371404 0.352246 0.874448 O\n0.683942 0.519623 0.309047 O\n0.899844 0.718377 0.702714 O\n0.737291 0.184779 0.666739 O\n0.972638 0.668931 0.266834 O\n0.281623 0.297286 0.100156 O\n0.048602 0.718141 0.493024 O\n0.493024 0.048602 0.718141 O\n0.506976 0.951398 0.281859 O\n0.647754 0.125552 0.628596 O\n0.208456 0.879193 0.895375 O\n0.331069 0.733166 0.027362 O\n0.125552 0.628596 0.647754 O\n0.203217 0.853923 0.670072 O\n0.083754 0.579344 0.112456 O\n0.996504 0.850736 0.780036 O\n0.106958 0.867852 0.277993 O\n0.733166 0.027362 0.331069 O\n0.893042 0.132148 0.722007 O\n0.853923 0.670072 0.203217 O\n0.628596 0.647754 0.125552 O\n0.666739 0.737291 0.184779 O\n0.027362 0.331069 0.733166 O\n0.670072 0.203217 0.853923 O\n0.003042 0.247634 0.655683 O\n0.132148 0.722007 0.893042 O\n0.219964 0.003496 0.149264 O\n0.120807 0.104625 0.791544 O\n0.718377 0.702714 0.899844 O\n0.184779 0.666739 0.737291 O\n0.668097 0.032275 0.523892 O\n0.718141 0.493024 0.048602 O\n0.329928 0.796783 0.146077 O\n0.690953 0.316058 0.480377 O\n0.003496 0.149264 0.219964 O\n0.655683 0.003042 0.247634 O\n0.668931 0.266834 0.972638 O\n0.579344 0.112456 0.083754 O\n0.297286 0.100156 0.281623 O\n0.333261 0.262709 0.815221 O\n0.850736 0.780036 0.996504 O\n0.420656 0.887544 0.916246 O\n0.996958 0.752366 0.344317 O\n0.344317 0.996958 0.752366 O\n0.100156 0.281623 0.297286 O\n0.879193 0.895375 0.208456 O\n0.791544 0.120807 0.104625 O\n0.480377 0.690953 0.316058 O\n",
"nsites": 120,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.700326124280519,
"density_atomic": 0.051126184020756464,
"volume": 2347.1339060095274,
"volume_molar": 11.778975637131653,
"formula_full": "Si40 O80",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -1003.88011932,
"energy_per_atom": -8.365667661,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -948.92011932,
"band_gap": 5.6222,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1206552,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:46.398000Z",
"spacegroup": 148
},
{
"id": "mp-556044",
"created_at": "2022-09-04T14:48:10.462162Z",
"structure_string": "Si12 O24\n1.0\n6.184689 -10.712196 0.000000\n6.184689 10.712196 0.000000\n0.000000 0.000000 5.136851\nSi O\n12 24\ndirect\n0.372166 0.859946 0.518924 Si\n0.627834 0.487780 0.018924 Si\n0.140054 0.512220 0.518924 Si\n0.512220 0.372166 0.481076 Si\n0.859946 0.372166 0.018924 Si\n0.512220 0.140054 0.018924 Si\n0.487780 0.627834 0.518924 Si\n0.859946 0.487780 0.481076 Si\n0.140054 0.627834 0.981076 Si\n0.627834 0.140054 0.481076 Si\n0.372166 0.512220 0.981076 Si\n0.487780 0.859946 0.981076 Si\n0.000000 0.500000 0.000000 O\n0.395808 0.604192 0.750000 O\n0.199326 0.398653 0.750000 O\n0.604192 0.208384 0.250000 O\n0.398653 0.199326 0.250000 O\n0.401420 0.598580 0.250000 O\n0.604192 0.395808 0.250000 O\n0.500000 0.500000 0.000000 O\n0.598580 0.401420 0.750000 O\n0.800674 0.601347 0.250000 O\n0.401420 0.802840 0.250000 O\n0.208384 0.604192 0.750000 O\n0.601347 0.800674 0.750000 O\n0.500000 0.000000 0.000000 O\n0.197160 0.598580 0.250000 O\n0.802840 0.401420 0.750000 O\n0.598580 0.197160 0.750000 O\n0.199326 0.800674 0.750000 O\n0.800674 0.199326 0.250000 O\n0.500000 0.000000 0.500000 O\n0.791616 0.395808 0.250000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.395808 0.791616 0.750000 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.7590087867006143,
"density_atomic": 0.05289068116920042,
"volume": 680.6492033035814,
"volume_molar": 11.386014751322293,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -249.21163144,
"energy_per_atom": -6.922545317777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.72363144,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.685000Z",
"spacegroup": 163
},
{
"id": "mp-555823",
"created_at": "2022-09-04T14:39:22.994216Z",
"structure_string": "Si12 O24\n1.0\n6.442142 -11.158118 0.000000\n6.442142 11.158118 0.000000\n0.000000 0.000000 3.884577\nSi O\n12 24\ndirect\n0.570711 0.905040 0.845465 Si\n0.665671 0.570711 0.845465 Si\n0.905040 0.334329 0.845465 Si\n0.334329 0.429289 0.845465 Si\n0.665671 0.094960 0.154535 Si\n0.570711 0.665671 0.154535 Si\n0.334329 0.905040 0.154535 Si\n0.429289 0.094960 0.845465 Si\n0.094960 0.665671 0.845465 Si\n0.905040 0.570711 0.154535 Si\n0.429289 0.334329 0.154535 Si\n0.094960 0.429289 0.154535 Si\n0.000000 0.296244 0.000000 O\n0.703756 0.000000 0.000000 O\n0.296244 0.296244 0.000000 O\n0.556737 0.778369 0.000000 O\n0.401988 0.000000 0.500000 O\n0.443263 0.221631 0.000000 O\n0.778369 0.221631 0.000000 O\n0.880932 0.440466 0.000000 O\n0.559534 0.440466 0.000000 O\n0.221631 0.778369 0.000000 O\n0.000000 0.401988 0.500000 O\n0.598012 0.598012 0.500000 O\n0.296244 0.000000 0.000000 O\n0.221631 0.443263 0.000000 O\n0.598012 0.000000 0.500000 O\n0.559534 0.119068 0.000000 O\n0.401988 0.401988 0.500000 O\n0.703756 0.703756 0.000000 O\n0.440466 0.559534 0.000000 O\n0.000000 0.598012 0.500000 O\n0.440466 0.880932 0.000000 O\n0.778369 0.556737 0.000000 O\n0.119068 0.559534 0.000000 O\n0.000000 0.703756 0.000000 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.143859776026423,
"density_atomic": 0.06446255683462149,
"volume": 558.4637310052392,
"volume_molar": 9.34207554852313,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -273.19580475,
"energy_per_atom": -7.588772354166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.70780475,
"band_gap": 1.3676,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.009000Z",
"spacegroup": 177
},
{
"id": "mp-600050",
"created_at": "2022-09-04T14:39:21.287903Z",
"structure_string": "Si24 O48\n1.0\n7.209538 0.000000 0.000000\n0.000000 9.851638 0.000000\n0.000000 0.000000 20.540995\nSi O\n24 48\ndirect\n0.517649 0.161363 0.188492 Si\n0.482351 0.838637 0.188492 Si\n0.517649 0.338637 0.311508 Si\n0.482351 0.661363 0.311508 Si\n0.482351 0.838637 0.811508 Si\n0.517649 0.161363 0.811508 Si\n0.482351 0.661363 0.688492 Si\n0.517649 0.338637 0.688492 Si\n0.241121 0.146089 0.073715 Si\n0.758879 0.853911 0.073715 Si\n0.241121 0.353911 0.426285 Si\n0.758879 0.646089 0.426285 Si\n0.758879 0.853911 0.926285 Si\n0.241121 0.146089 0.926285 Si\n0.758879 0.646089 0.573715 Si\n0.241121 0.353911 0.573715 Si\n0.881505 0.111956 0.130965 Si\n0.118495 0.888044 0.130965 Si\n0.881505 0.388044 0.369035 Si\n0.118495 0.611956 0.369035 Si\n0.118495 0.888044 0.869035 Si\n0.881505 0.111956 0.869035 Si\n0.118495 0.611956 0.630965 Si\n0.881505 0.388044 0.630965 Si\n0.500000 0.000000 0.204955 O\n0.500000 0.500000 0.295045 O\n0.500000 0.000000 0.795045 O\n0.500000 0.500000 0.704955 O\n0.603722 0.798663 0.124339 O\n0.396278 0.201337 0.124339 O\n0.603722 0.701337 0.375661 O\n0.396278 0.298663 0.375661 O\n0.396278 0.201337 0.875661 O\n0.603722 0.798663 0.875661 O\n0.396278 0.298663 0.624339 O\n0.603722 0.701337 0.624339 O\n0.000000 0.000000 0.174518 O\n0.000000 0.500000 0.325482 O\n0.000000 0.000000 0.825482 O\n0.000000 0.500000 0.674518 O\n0.736853 0.197929 0.174730 O\n0.263147 0.802071 0.174730 O\n0.736853 0.302071 0.325270 O\n0.263147 0.697929 0.325270 O\n0.263147 0.802071 0.825270 O\n0.736853 0.197929 0.825270 O\n0.263147 0.697929 0.674730 O\n0.736853 0.302071 0.674730 O\n0.554424 0.750000 0.250000 O\n0.445576 0.250000 0.250000 O\n0.445576 0.250000 0.750000 O\n0.554424 0.750000 0.750000 O\n0.964548 0.793455 0.093825 O\n0.035452 0.206545 0.093825 O\n0.964548 0.706545 0.406175 O\n0.035452 0.293455 0.406175 O\n0.035452 0.206545 0.906175 O\n0.964548 0.793455 0.906175 O\n0.035452 0.293455 0.593825 O\n0.964548 0.706545 0.593825 O\n0.234731 0.978964 0.077331 O\n0.765269 0.021036 0.077331 O\n0.234731 0.521036 0.422669 O\n0.765269 0.478964 0.422669 O\n0.765269 0.021036 0.922669 O\n0.234731 0.978964 0.922669 O\n0.765269 0.478964 0.577331 O\n0.234731 0.521036 0.577331 O\n0.292199 0.192137 0.000000 O\n0.707801 0.807863 0.000000 O\n0.292199 0.307863 0.500000 O\n0.707801 0.692137 0.500000 O\n",
"nsites": 72,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.6412849518969532,
"density_atomic": 0.0493509070306669,
"volume": 1458.9397506971623,
"volume_molar": 12.202695193135582,
"formula_full": "Si24 O48",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -598.30688949,
"energy_per_atom": -8.309817909583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -565.33088949,
"band_gap": 5.8144,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.916000Z",
"spacegroup": 53
},
{
"id": "mp-556262",
"created_at": "2022-09-04T14:47:07.332983Z",
"structure_string": "Si16 O32\n1.0\n7.487635 0.000000 0.000000\n-1.242115 11.493730 0.000000\n-0.966618 -3.114216 11.213359\nSi O\n16 32\ndirect\n0.695964 0.440743 0.123633 Si\n0.590447 0.857085 0.356559 Si\n0.430724 0.638913 0.142287 Si\n0.955350 0.761533 0.432265 Si\n0.409553 0.142915 0.643441 Si\n0.670445 0.132562 0.441040 Si\n0.220866 0.412691 0.428232 Si\n0.569276 0.361087 0.857713 Si\n0.389082 0.640411 0.644657 Si\n0.304036 0.559257 0.876367 Si\n0.044650 0.238467 0.567735 Si\n0.925066 0.459188 0.758028 Si\n0.610918 0.359589 0.355343 Si\n0.074934 0.540812 0.241972 Si\n0.329555 0.867438 0.558960 Si\n0.779134 0.587309 0.571768 Si\n0.491813 0.774448 0.228094 O\n0.395421 0.002177 0.646210 O\n0.126271 0.864431 0.494613 O\n0.873729 0.135569 0.505387 O\n0.372875 0.649226 0.008102 O\n0.207997 0.176136 0.616159 O\n0.098644 0.447787 0.324090 O\n0.602325 0.564038 0.143083 O\n0.901356 0.552213 0.675910 O\n0.893184 0.694347 0.531627 O\n0.106816 0.305653 0.468373 O\n0.357380 0.627599 0.776443 O\n0.730934 0.469601 0.457465 O\n0.604579 0.997823 0.353790 O\n0.627125 0.350774 0.991898 O\n0.329554 0.769339 0.636642 O\n0.269066 0.530399 0.542535 O\n0.399943 0.363520 0.375552 O\n0.508187 0.225552 0.771906 O\n0.262798 0.568468 0.188268 O\n0.019076 0.666566 0.319886 O\n0.600057 0.636480 0.624448 O\n0.792003 0.823864 0.383841 O\n0.469008 0.833066 0.459503 O\n0.914585 0.476841 0.134367 O\n0.397675 0.435962 0.856917 O\n0.980924 0.333434 0.680114 O\n0.642620 0.372401 0.223557 O\n0.085415 0.523159 0.865633 O\n0.670446 0.230661 0.363358 O\n0.737202 0.431532 0.811732 O\n0.530992 0.166934 0.540497 O\n",
"nsites": 48,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.6542026147420281,
"density_atomic": 0.04973932122856958,
"volume": 965.0312632820863,
"volume_molar": 12.107404386011131,
"formula_full": "Si16 O32",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -401.24506955999993,
"energy_per_atom": -8.3592722825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -379.26106956,
"band_gap": 5.72,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001084,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.311000Z",
"spacegroup": 2
},
{
"id": "mp-600000",
"created_at": "2022-09-04T14:47:10.731377Z",
"structure_string": "Si4 O8\n1.0\n-2.644789 4.399024 4.967295\n2.644789 -4.399024 4.967295\n2.644789 4.399024 -4.967295\nSi O\n4 8\ndirect\n0.941799 0.092250 0.849550 Si\n0.742700 0.592250 0.150450 Si\n0.058201 0.907750 0.150450 Si\n0.257300 0.407750 0.849550 Si\n0.150209 0.250000 0.900209 O\n0.849791 0.750000 0.099791 O\n0.808168 0.808168 0.500000 O\n0.191832 0.691832 0.000000 O\n0.191832 0.191832 0.500000 O\n0.808168 0.308168 0.000000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.7264054135191658,
"density_atomic": 0.05191034802418246,
"volume": 231.16778169951385,
"volume_molar": 11.601041004761873,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -100.36784308,
"energy_per_atom": -8.363986923333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.87184308,
"band_gap": 5.4115,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.809000Z",
"spacegroup": 74
}
]
}