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=is_stable&page=122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=120",
"results": [
{
"id": "mp-1025599",
"created_at": "2022-09-04T14:39:13.928424Z",
"structure_string": "W3 Se4 S2\n1.0\n1.637592 -2.836393 0.000000\n1.637592 2.836393 0.000000\n0.000000 0.000000 30.268004\nW Se S\n3 4 2\ndirect\n0.000000 0.000000 0.115643 W\n0.000000 0.000000 0.578338 W\n0.333333 0.666667 0.346969 W\n0.000000 0.000000 0.403131 Se\n0.333333 0.666667 0.522140 Se\n0.333333 0.666667 0.634522 Se\n0.000000 0.000000 0.290807 Se\n0.333333 0.666667 0.064620 S\n0.333333 0.666667 0.166670 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 5.50099693626163,
"density_atomic": 0.032007858478083594,
"volume": 281.18094830250755,
"volume_molar": 18.814569441199815,
"formula_full": "W3 Se4 S2",
"formula_reduced": "W3(Se2S)2",
"formula_anonymous": "A2B3C4",
"energy": -69.70625765000001,
"energy_per_atom": -7.7451397388888905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.81225765,
"band_gap": 0.6892,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.886000Z",
"spacegroup": 156
},
{
"id": "mp-1193525",
"created_at": "2022-09-04T14:39:13.882621Z",
"structure_string": "U4 Br4 O20\n1.0\n9.361398 0.000000 0.000000\n0.000000 6.174728 0.000000\n-2.489830 0.000000 10.517476\nU Br O\n4 4 20\ndirect\n0.155855 0.871730 0.580986 U\n0.844145 0.371730 0.919014 U\n0.844145 0.128270 0.419014 U\n0.155855 0.628270 0.080986 U\n0.322871 0.095553 0.908950 Br\n0.677129 0.595553 0.591050 Br\n0.677129 0.904447 0.091050 Br\n0.322871 0.404447 0.408950 Br\n0.020119 0.145032 0.582661 O\n0.979881 0.645032 0.917339 O\n0.979881 0.854968 0.417339 O\n0.020119 0.354968 0.082661 O\n0.276990 0.028242 0.500877 O\n0.723010 0.528242 0.999123 O\n0.723010 0.971758 0.499123 O\n0.276990 0.471758 0.000877 O\n0.266690 0.551481 0.524963 O\n0.733310 0.051481 0.975037 O\n0.733310 0.448519 0.475037 O\n0.266690 0.948519 0.024963 O\n0.057912 0.708906 0.674447 O\n0.942088 0.208906 0.825553 O\n0.942088 0.291094 0.325553 O\n0.057912 0.791094 0.174447 O\n0.337183 0.938490 0.779965 O\n0.662817 0.438490 0.720035 O\n0.662817 0.061510 0.220035 O\n0.337183 0.561510 0.279965 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"U",
"Br",
"O"
],
"chemical_system": "Br-O-U",
"density": 4.34756017350834,
"density_atomic": 0.046056184958651485,
"volume": 607.9530908853601,
"volume_molar": 13.075639602816828,
"formula_full": "U4 Br4 O20",
"formula_reduced": "UBrO5",
"formula_anonymous": "ABC5",
"energy": -205.99222173,
"energy_per_atom": -7.356865061785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.25222173,
"band_gap": 0.0279,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0326603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.880000Z",
"spacegroup": 14
},
{
"id": "mp-1212610",
"created_at": "2022-09-04T14:39:13.886806Z",
"structure_string": "H18 C6 S2 N8 O6\n1.0\n7.312404 0.406780 -0.048047\n0.140829 7.052013 -2.697185\n0.060969 0.029424 7.930306\nH C S N O\n18 6 2 8 6\ndirect\n0.161281 0.249894 0.595163 H\n0.838719 0.750106 0.404837 H\n0.116721 0.341942 0.415231 H\n0.883279 0.658058 0.584769 H\n0.937090 0.402117 0.122850 H\n0.062910 0.597883 0.877150 H\n0.252964 0.912760 0.071085 H\n0.747036 0.087240 0.928915 H\n0.618109 0.307535 0.346843 H\n0.381891 0.692465 0.653157 H\n0.405012 0.625862 0.416335 H\n0.594988 0.374138 0.583665 H\n0.130656 0.487219 0.141782 H\n0.869344 0.512781 0.858218 H\n0.300311 0.793208 0.270995 H\n0.699689 0.206792 0.729005 H\n0.174164 0.155773 0.126888 H\n0.825836 0.844227 0.873112 H\n0.707801 0.101952 0.448506 C\n0.292199 0.898048 0.551494 C\n0.568246 0.451722 0.050965 C\n0.431754 0.548278 0.949035 C\n0.217365 0.069899 0.339004 C\n0.782635 0.930101 0.660996 C\n0.239221 0.072032 0.750764 S\n0.760779 0.927968 0.249236 S\n0.641369 0.275970 0.461147 N\n0.358631 0.724030 0.538853 N\n0.726714 0.084693 0.616455 N\n0.273286 0.915307 0.383545 N\n0.161688 0.236696 0.461279 N\n0.838312 0.763304 0.538721 N\n0.223722 0.045154 0.164616 N\n0.776278 0.954846 0.835384 N\n0.520040 0.456641 0.205060 O\n0.479960 0.543359 0.794940 O\n0.279852 0.627164 0.031850 O\n0.720148 0.372836 0.968150 O\n0.052350 0.413359 0.188866 O\n0.947650 0.586641 0.811134 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.4712080881953808,
"density_atomic": 0.09779400766147367,
"volume": 409.02301640469693,
"volume_molar": 6.157985447172185,
"formula_full": "H18 C6 S2 N8 O6",
"formula_reduced": "H9C3SN4O3",
"formula_anonymous": "AB3C3D4E9",
"energy": -249.24717252,
"energy_per_atom": -6.231179313,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -241.23117252,
"band_gap": 3.0945,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.454000Z",
"spacegroup": 2
},
{
"id": "mp-1210184",
"created_at": "2022-09-04T14:39:13.892401Z",
"structure_string": "Na6 Mg1 Cl8\n1.0\n0.000000 5.672037 5.672037\n5.672037 0.000000 5.672037\n5.672037 5.672037 0.000000\nNa Mg Cl\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750000 Cl\n0.775006 0.224994 0.224994 Cl\n0.224994 0.775006 0.775006 Cl\n0.224994 0.775006 0.224994 Cl\n0.775006 0.224994 0.775006 Cl\n0.224994 0.224994 0.775006 Cl\n0.775006 0.775006 0.224994 Cl\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg-Na",
"density": 2.02865345986224,
"density_atomic": 0.04110021538839908,
"volume": 364.961591034238,
"volume_molar": 14.652333821344902,
"formula_full": "Na6 Mg1 Cl8",
"formula_reduced": "Na6MgCl8",
"formula_anonymous": "AB6C8",
"energy": -56.54439946,
"energy_per_atom": -3.7696266306666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.63239946,
"band_gap": 5.244,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.786000Z",
"spacegroup": 225
},
{
"id": "mp-27713",
"created_at": "2022-09-04T14:39:13.893014Z",
"structure_string": "V1 Br2 O1\n1.0\n3.588355 -0.001454 -0.965057\n-0.273980 3.496913 -1.027328\n0.093659 0.293499 7.596631\nV Br O\n1 2 1\ndirect\n0.000001 0.000000 0.000000 V\n0.372236 0.871382 0.747927 Br\n0.627764 0.128617 0.252074 Br\n0.999999 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Br",
"O"
],
"chemical_system": "Br-O-V",
"density": 3.8898646940906545,
"density_atomic": 0.041323795146549415,
"volume": 96.79653056585255,
"volume_molar": 14.573058303680163,
"formula_full": "V1 Br2 O1",
"formula_reduced": "VBr2O",
"formula_anonymous": "ABC2",
"energy": -23.73634304,
"energy_per_atom": -5.93408576,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.28134304,
"band_gap": 0.4054,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.0002742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.499000Z",
"spacegroup": 71
},
{
"id": "mp-975614",
"created_at": "2022-09-04T14:39:13.894150Z",
"structure_string": "Nd6 Al2 Ni2 S14\n1.0\n5.007444 -8.673147 0.000000\n5.007444 8.673147 0.000000\n0.000000 0.000000 6.021386\nNd Al Ni S\n6 2 2 14\ndirect\n0.140439 0.372222 0.229120 Nd\n0.859561 0.627778 0.729120 Nd\n0.627778 0.768217 0.229120 Nd\n0.231783 0.859561 0.229120 Nd\n0.768217 0.140439 0.729120 Nd\n0.372222 0.231783 0.729120 Nd\n0.333333 0.666667 0.652111 Al\n0.666667 0.333333 0.152111 Al\n0.000000 0.000000 0.004153 Ni\n0.000000 0.000000 0.504153 Ni\n0.333333 0.666667 0.021286 S\n0.666667 0.333333 0.521286 S\n0.420001 0.517577 0.503541 S\n0.579999 0.482423 0.003541 S\n0.482423 0.902424 0.503541 S\n0.097576 0.579999 0.503541 S\n0.902424 0.420001 0.003541 S\n0.517577 0.097576 0.003541 S\n0.087026 0.227717 0.768809 S\n0.912974 0.772283 0.268809 S\n0.772283 0.859309 0.768809 S\n0.140691 0.912974 0.768809 S\n0.859309 0.087026 0.268809 S\n0.227717 0.140691 0.268809 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Nd",
"Al",
"Ni",
"S"
],
"chemical_system": "Al-Nd-Ni-S",
"density": 4.716984185352116,
"density_atomic": 0.04588724342472558,
"volume": 523.0211755772629,
"volume_molar": 13.123779749112296,
"formula_full": "Nd6 Al2 Ni2 S14",
"formula_reduced": "Nd3AlNiS7",
"formula_anonymous": "ABC3D7",
"energy": -149.87482179,
"energy_per_atom": -6.24478424125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.83282179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0010919,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.288000Z",
"spacegroup": 173
},
{
"id": "mp-1223805",
"created_at": "2022-09-04T14:39:13.898700Z",
"structure_string": "Ho1 Co1 C1\n1.0\n0.000000 0.000000 3.524482\n3.533106 0.000000 0.000000\n0.000000 3.601350 0.000000\nHo Co C\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ho",
"Co",
"C"
],
"chemical_system": "C-Co-Ho",
"density": 8.733981554840776,
"density_atomic": 0.06689658681429589,
"volume": 44.845337301407675,
"volume_molar": 9.002164455291853,
"formula_full": "Ho1 Co1 C1",
"formula_reduced": "HoCoC",
"formula_anonymous": "ABC",
"energy": -21.72716388,
"energy_per_atom": -7.242387959999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.72716388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0234386,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.964000Z",
"spacegroup": 123
},
{
"id": "mp-20464",
"created_at": "2022-09-04T14:39:13.904471Z",
"structure_string": "Sr4 Pr4 O12\n1.0\n6.179822 0.000000 0.000000\n0.000000 6.393694 0.000000\n0.000000 0.000000 8.887466\nSr Pr O\n4 4 12\ndirect\n0.977429 0.053235 0.250000 Sr\n0.477429 0.446765 0.750000 Sr\n0.522571 0.553235 0.250000 Sr\n0.022571 0.946765 0.750000 Sr\n0.000000 0.500000 0.000000 Pr\n0.500000 0.000000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.703039 0.295774 0.427994 O\n0.203039 0.204226 0.572006 O\n0.796961 0.795774 0.072006 O\n0.296961 0.704226 0.927994 O\n0.296961 0.704226 0.572006 O\n0.796961 0.795774 0.427994 O\n0.203039 0.204226 0.927994 O\n0.703039 0.295774 0.072006 O\n0.131195 0.436240 0.250000 O\n0.631195 0.063760 0.750000 O\n0.368805 0.936240 0.250000 O\n0.868805 0.563760 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Pr",
"O"
],
"chemical_system": "O-Pr-Sr",
"density": 5.230450051142066,
"density_atomic": 0.05695399988285351,
"volume": 351.1605864581457,
"volume_molar": 10.573692405075516,
"formula_full": "Sr4 Pr4 O12",
"formula_reduced": "SrPrO3",
"formula_anonymous": "ABC3",
"energy": -145.24759241,
"energy_per_atom": -7.262379620500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.00359241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.999996,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.768000Z",
"spacegroup": 62
},
{
"id": "mp-1226490",
"created_at": "2022-09-04T14:39:13.906450Z",
"structure_string": "Ce1 Zr3 O8\n1.0\n3.693905 -5.374460 0.000000\n3.693905 5.374460 0.000000\n0.000000 0.000000 3.707062\nCe Zr O\n1 3 8\ndirect\n0.501980 0.498020 0.500000 Ce\n0.997537 0.002463 0.500000 Zr\n0.494449 0.994724 0.000000 Zr\n0.005276 0.505551 0.000000 Zr\n0.387689 0.612311 0.000000 O\n0.906203 0.093797 0.000000 O\n0.088363 0.394834 0.500000 O\n0.605166 0.911637 0.500000 O\n0.343020 0.136130 0.500000 O\n0.863870 0.656980 0.500000 O\n0.654319 0.345681 0.000000 O\n0.152127 0.847873 0.000000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"O"
],
"chemical_system": "Ce-O-Zr",
"density": 6.1121531717032225,
"density_atomic": 0.08152688402164718,
"volume": 147.19071069628683,
"volume_molar": 7.386693153145641,
"formula_full": "Ce1 Zr3 O8",
"formula_reduced": "CeZr3O8",
"formula_anonymous": "AB3C8",
"energy": -116.57107009,
"energy_per_atom": -9.714255840833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.07507009,
"band_gap": 2.1872000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002236,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.602000Z",
"spacegroup": 38
},
{
"id": "mp-1208804",
"created_at": "2022-09-04T14:39:13.922527Z",
"structure_string": "V8 Pb4 O8\n1.0\n-3.936963 3.936963 -6.562506\n3.936963 -3.936963 -6.562506\n-3.936963 -3.936963 6.562506\nV Pb O\n8 4 8\ndirect\n0.572749 0.335680 0.762930 V\n0.572749 0.809819 0.237070 V\n0.559819 0.822749 0.737070 V\n0.177251 0.440181 0.262930 V\n0.177251 0.914320 0.737070 V\n0.085680 0.822749 0.262930 V\n0.190181 0.427251 0.762930 V\n0.664320 0.427251 0.237070 V\n0.875000 0.125000 0.250000 Pb\n0.875000 0.625000 0.750000 Pb\n0.375000 0.125000 0.250000 Pb\n0.875000 0.125000 0.750000 Pb\n0.694750 0.530035 0.835285 O\n0.694750 0.859466 0.164715 O\n0.609466 0.944750 0.664715 O\n0.055250 0.390534 0.335285 O\n0.055250 0.719965 0.664715 O\n0.280035 0.944750 0.335285 O\n0.140534 0.305250 0.835285 O\n0.469965 0.305250 0.164715 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Pb",
"O"
],
"chemical_system": "O-Pb-V",
"density": 5.56820561193811,
"density_atomic": 0.04915612323393004,
"volume": 406.86691065570017,
"volume_molar": 12.251049032774851,
"formula_full": "V8 Pb4 O8",
"formula_reduced": "V2PbO2",
"formula_anonymous": "AB2C2",
"energy": -133.53346586,
"energy_per_atom": -6.676673293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.43746586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9994215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.989000Z",
"spacegroup": 141
},
{
"id": "mp-1225487",
"created_at": "2022-09-04T14:39:13.914077Z",
"structure_string": "K6 In16 Au16\n1.0\n0.000000 -0.010569 5.890714\n13.096406 0.000000 0.000000\n0.000000 13.034925 -0.024766\nK In Au\n6 16 16\ndirect\n0.249458 0.999300 0.498797 K\n0.249458 0.500700 0.498797 K\n0.750349 0.001010 0.999298 K\n0.750349 0.498990 0.999298 K\n0.749637 0.000760 0.501305 K\n0.749637 0.499240 0.501305 K\n0.979091 0.124954 0.751516 In\n0.979091 0.375046 0.751516 In\n0.470319 0.750000 0.123717 In\n0.476420 0.750000 0.374412 In\n0.028177 0.875855 0.248277 In\n0.028177 0.624145 0.248277 In\n0.519758 0.250000 0.875304 In\n0.525777 0.250000 0.625214 In\n0.634216 0.625043 0.750301 In\n0.634216 0.874957 0.750301 In\n0.137387 0.750000 0.626156 In\n0.142411 0.750000 0.876961 In\n0.360376 0.375694 0.247259 In\n0.360376 0.124306 0.247259 In\n0.862783 0.250000 0.374920 In\n0.862956 0.250000 0.125540 In\n0.479860 0.076536 0.748246 Au\n0.479860 0.423464 0.748246 Au\n0.976781 0.750000 0.077023 Au\n0.979845 0.750000 0.423134 Au\n0.521811 0.923478 0.252010 Au\n0.521811 0.576522 0.252010 Au\n0.021335 0.250000 0.923840 Au\n0.020849 0.250000 0.576717 Au\n0.126670 0.575539 0.749053 Au\n0.126670 0.924461 0.749053 Au\n0.627698 0.750000 0.575310 Au\n0.630863 0.750000 0.924181 Au\n0.871942 0.424462 0.252293 Au\n0.871942 0.075538 0.252293 Au\n0.372424 0.250000 0.424085 Au\n0.369220 0.250000 0.075377 Au\n",
"nsites": 38,
"nelements": 3,
"elements": [
"K",
"In",
"Au"
],
"chemical_system": "Au-In-K",
"density": 8.624896288051763,
"density_atomic": 0.03778822324923221,
"volume": 1005.6043055893637,
"volume_molar": 15.936554413476848,
"formula_full": "K6 In16 Au16",
"formula_reduced": "K3(InAu)8",
"formula_anonymous": "A3B8C8",
"energy": -112.6097293,
"energy_per_atom": -2.9634139289473684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.6097293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2813784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.860000Z",
"spacegroup": 6
},
{
"id": "mp-23764",
"created_at": "2022-09-04T14:39:05.097011Z",
"structure_string": "Mg3 Si2 H4 O9\n1.0\n2.685694 -4.651758 0.000000\n2.685694 4.651758 0.000000\n0.000000 0.000000 7.377575\nMg Si H O\n3 2 4 9\ndirect\n0.331419 0.000000 0.458842 Mg\n0.000000 0.331419 0.458842 Mg\n0.668581 0.668581 0.458842 Mg\n0.333333 0.666667 0.077194 Si\n0.666667 0.333333 0.077194 Si\n0.000000 0.000000 0.176963 H\n0.349481 0.349481 0.722802 H\n0.000000 0.650519 0.722802 H\n0.650519 0.000000 0.722802 H\n0.000000 0.000000 0.308063 O\n0.333333 0.666667 0.295373 O\n0.666667 0.333333 0.295373 O\n0.511409 0.000000 0.994115 O\n0.000000 0.511409 0.994115 O\n0.488591 0.488591 0.994115 O\n0.664647 0.000000 0.591488 O\n0.000000 0.664647 0.591488 O\n0.335353 0.335353 0.591488 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.4962479628454,
"density_atomic": 0.09764617463026136,
"volume": 184.33901858579978,
"volume_molar": 6.167308430466346,
"formula_full": "Mg3 Si2 H4 O9",
"formula_reduced": "Mg3Si2H4O9",
"formula_anonymous": "A2B3C4D9",
"energy": -120.39778216,
"energy_per_atom": -6.688765675555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.21478216,
"band_gap": 4.4559,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008433,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.701000Z",
"spacegroup": 157
}
]
}