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=11487",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=11485",
"results": [
{
"id": "mp-1106218",
"created_at": "2022-09-04T14:39:35.775357Z",
"structure_string": "Sr4 Sc2 Sb2 O12\n1.0\n5.771993 0.000000 0.000000\n0.000000 5.751533 0.000000\n-5.761958 0.000000 8.128504\nSr Sc Sb O\n4 2 2 12\ndirect\n0.753753 0.489364 0.251041 Sr\n0.753753 0.010636 0.751041 Sr\n0.246247 0.510636 0.748959 Sr\n0.246247 0.989364 0.248959 Sr\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.231986 0.227236 0.471571 O\n0.231986 0.272764 0.971571 O\n0.768014 0.772764 0.528429 O\n0.768014 0.727236 0.028429 O\n0.800629 0.237380 0.026715 O\n0.800629 0.262620 0.526715 O\n0.199371 0.762620 0.973285 O\n0.199371 0.737380 0.473285 O\n0.703096 0.005019 0.256096 O\n0.703096 0.494981 0.756096 O\n0.296904 0.994981 0.743904 O\n0.296904 0.505019 0.243904 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Sc",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sc-Sr",
"density": 5.389964205263415,
"density_atomic": 0.07411565656188383,
"volume": 269.84851686904693,
"volume_molar": 8.125328762313176,
"formula_full": "Sr4 Sc2 Sb2 O12",
"formula_reduced": "Sr2ScSbO6",
"formula_anonymous": "ABC2D6",
"energy": -149.34363817,
"energy_per_atom": -7.4671819085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.09963817,
"band_gap": 3.5074,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00333,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.190000Z",
"spacegroup": 14
},
{
"id": "mp-1215667",
"created_at": "2022-09-04T14:41:17.184121Z",
"structure_string": "Yb4 Sc4 Sb4 O1\n1.0\n4.474944 0.000000 0.000000\n0.000000 4.474944 0.000000\n0.000000 0.000000 16.125746\nYb Sc Sb O\n4 4 4 1\ndirect\n0.500000 0.500000 0.332100 Yb\n0.000000 0.000000 0.834177 Yb\n0.000000 0.000000 0.165823 Yb\n0.500000 0.500000 0.667900 Yb\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.131145 Sb\n0.000000 0.000000 0.630857 Sb\n0.000000 0.000000 0.369143 Sb\n0.500000 0.500000 0.868855 Sb\n0.000000 0.000000 0.000000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Yb",
"Sc",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sc-Yb",
"density": 7.07072669378027,
"density_atomic": 0.04025764146478078,
"volume": 322.9200600679251,
"volume_molar": 14.959000430436154,
"formula_full": "Yb4 Sc4 Sb4 O1",
"formula_reduced": "Yb4Sc4Sb4O",
"formula_anonymous": "AB4C4D4",
"energy": -70.32919181999999,
"energy_per_atom": -5.409937832307691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.87419182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2163344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.833000Z",
"spacegroup": 123
},
{
"id": "mp-754993",
"created_at": "2022-09-04T14:39:33.196072Z",
"structure_string": "Sb4 Se4 O20\n1.0\n5.259134 0.000000 0.000000\n0.000000 9.285394 0.000000\n0.000000 0.000000 9.887812\nSb Se O\n4 4 20\ndirect\n0.621340 0.340325 0.595518 Sb\n0.121340 0.159675 0.404482 Sb\n0.878660 0.659675 0.095518 Sb\n0.378660 0.840325 0.904482 Sb\n0.894669 0.023466 0.710033 Se\n0.394669 0.476534 0.289967 Se\n0.605331 0.976534 0.210033 Se\n0.105331 0.523466 0.789967 Se\n0.317354 0.394408 0.747267 O\n0.220855 0.693499 0.758906 O\n0.833591 0.515892 0.697655 O\n0.954960 0.004238 0.539662 O\n0.415713 0.178819 0.525956 O\n0.915713 0.321181 0.474044 O\n0.454960 0.495762 0.460338 O\n0.333591 0.984108 0.302345 O\n0.720855 0.806501 0.241094 O\n0.817354 0.105592 0.252733 O\n0.182646 0.605592 0.247267 O\n0.279145 0.306501 0.258906 O\n0.666409 0.484108 0.197655 O\n0.545040 0.995762 0.039662 O\n0.084287 0.821181 0.025956 O\n0.584287 0.678819 0.974044 O\n0.045040 0.504238 0.960338 O\n0.166409 0.015892 0.802345 O\n0.779145 0.193499 0.741094 O\n0.682646 0.894408 0.752733 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sb",
"Se",
"O"
],
"chemical_system": "O-Sb-Se",
"density": 3.8615621518593173,
"density_atomic": 0.05798868464686921,
"volume": 482.85282155493263,
"volume_molar": 10.385027349167737,
"formula_full": "Sb4 Se4 O20",
"formula_reduced": "SbSeO5",
"formula_anonymous": "ABC5",
"energy": -165.86399526,
"energy_per_atom": -5.923714116428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.12399526,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039214,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.459000Z",
"spacegroup": 19
},
{
"id": "mp-779462",
"created_at": "2022-09-04T14:42:17.951340Z",
"structure_string": "Sb8 Se12 O48\n1.0\n9.758791 0.000000 0.000000\n0.000000 9.272701 0.000000\n0.000000 8.925155 12.997607\nSb Se O\n8 12 48\ndirect\n0.464986 0.632410 0.114141 Sb\n0.964986 0.367590 0.385859 Sb\n0.531184 0.129481 0.618225 Sb\n0.031184 0.870519 0.881775 Sb\n0.968816 0.129481 0.118225 Sb\n0.468816 0.870519 0.381775 Sb\n0.035014 0.632410 0.614141 Sb\n0.535014 0.367590 0.885859 Sb\n0.252571 0.454408 0.506424 Se\n0.124640 0.746299 0.153062 Se\n0.380316 0.032727 0.856373 Se\n0.624640 0.253701 0.346938 Se\n0.880316 0.967273 0.643627 Se\n0.752571 0.545592 0.993576 Se\n0.247429 0.454408 0.006424 Se\n0.119684 0.032727 0.356373 Se\n0.375360 0.746299 0.653062 Se\n0.619684 0.967273 0.143627 Se\n0.875360 0.253701 0.846938 Se\n0.747429 0.545592 0.493576 Se\n0.615565 0.847269 0.094254 O\n0.627354 0.391243 0.558883 O\n0.809212 0.541516 0.394587 O\n0.921014 0.125247 0.806949 O\n0.125933 0.492863 0.423688 O\n0.292056 0.699862 0.180570 O\n0.101976 0.855903 0.025411 O\n0.498658 0.115011 0.761760 O\n0.225547 0.040618 0.808160 O\n0.320799 0.255724 0.553364 O\n0.028843 0.563479 0.214448 O\n0.420725 0.821692 0.946869 O\n0.528843 0.436521 0.285552 O\n0.920725 0.178308 0.553131 O\n0.820799 0.744276 0.946636 O\n0.725547 0.959382 0.691840 O\n0.601976 0.144097 0.474589 O\n0.792056 0.300138 0.319430 O\n0.998658 0.884989 0.738240 O\n0.625933 0.507137 0.076312 O\n0.309212 0.458484 0.105413 O\n0.115565 0.152731 0.405746 O\n0.421014 0.874753 0.693051 O\n0.127354 0.608757 0.941117 O\n0.872646 0.391243 0.058883 O\n0.578986 0.125247 0.306949 O\n0.884435 0.847269 0.594254 O\n0.690788 0.541516 0.894587 O\n0.374067 0.492863 0.923688 O\n0.001342 0.115011 0.261760 O\n0.207944 0.699862 0.680570 O\n0.398024 0.855903 0.525411 O\n0.274453 0.040618 0.308160 O\n0.179201 0.255724 0.053364 O\n0.079275 0.821692 0.446869 O\n0.471157 0.563479 0.714448 O\n0.579275 0.178308 0.053131 O\n0.971157 0.436521 0.785552 O\n0.679201 0.744276 0.446636 O\n0.774453 0.959382 0.191840 O\n0.501342 0.884989 0.238240 O\n0.898024 0.144097 0.974589 O\n0.707944 0.300138 0.819430 O\n0.874067 0.507137 0.576312 O\n0.078986 0.874753 0.193051 O\n0.190788 0.458484 0.605413 O\n0.372646 0.608757 0.441117 O\n0.384435 0.152731 0.905746 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Sb",
"Se",
"O"
],
"chemical_system": "O-Sb-Se",
"density": 3.7972261995679317,
"density_atomic": 0.05781536053738639,
"volume": 1176.1580204282857,
"volume_molar": 10.41616052209131,
"formula_full": "Sb8 Se12 O48",
"formula_reduced": "Sb2(SeO4)3",
"formula_anonymous": "A2B3C12",
"energy": -398.01126795,
"energy_per_atom": -5.853106881617647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -365.03526795,
"band_gap": 2.0067,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.915000Z",
"spacegroup": 14
},
{
"id": "mp-1105180",
"created_at": "2022-09-04T14:46:04.529868Z",
"structure_string": "Sr4 Sb4 Se6 O4\n1.0\n9.700210 0.000000 0.000000\n0.000000 4.058578 0.000000\n-7.624695 0.000000 11.281862\nSr Sb Se O\n4 4 6 4\ndirect\n0.107813 0.485756 0.398166 Sr\n0.892187 0.985756 0.101834 Sr\n0.892187 0.514244 0.601834 Sr\n0.107813 0.014244 0.898166 Sr\n0.645030 0.487938 0.191478 Sb\n0.354970 0.987938 0.308522 Sb\n0.354970 0.512062 0.808522 Sb\n0.645030 0.012062 0.691478 Sb\n0.500000 0.500000 0.500000 Se\n0.500000 0.000000 0.000000 Se\n0.209338 0.492810 0.132446 Se\n0.790662 0.992810 0.367554 Se\n0.790662 0.507190 0.867554 Se\n0.209338 0.007190 0.632446 Se\n0.152426 0.511591 0.812536 O\n0.847574 0.011591 0.687464 O\n0.847574 0.488409 0.187464 O\n0.152426 0.988409 0.312536 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Sb",
"Se",
"O"
],
"chemical_system": "O-Sb-Se-Sr",
"density": 5.1416634993529495,
"density_atomic": 0.04052627514608289,
"volume": 444.15628959524076,
"volume_molar": 14.859842752121462,
"formula_full": "Sr4 Sb4 Se6 O4",
"formula_reduced": "Sr2Sb2Se3O2",
"formula_anonymous": "A2B2C2D3",
"energy": -96.96303738,
"energy_per_atom": -5.38683541,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.38303738,
"band_gap": 0.7681999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0061822,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.347000Z",
"spacegroup": 14
},
{
"id": "mp-1216305",
"created_at": "2022-09-04T14:39:41.717049Z",
"structure_string": "V2 Sb2 Se8 O24\n1.0\n8.221623 0.000000 0.000000\n0.000000 8.217334 0.000000\n0.000000 0.069379 8.223584\nV Sb Se O\n2 2 8 24\ndirect\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.330442 0.661160 0.168786 Se\n0.830442 0.338840 0.331214 Se\n0.665596 0.827543 0.666253 Se\n0.165596 0.172457 0.833747 Se\n0.669558 0.338840 0.831214 Se\n0.169558 0.661160 0.668786 Se\n0.334404 0.172457 0.333747 Se\n0.834404 0.827543 0.166253 Se\n0.242595 0.533218 0.032428 O\n0.742595 0.466782 0.467572 O\n0.757164 0.970890 0.531802 O\n0.257164 0.029110 0.968198 O\n0.531586 0.969825 0.757447 O\n0.468056 0.532883 0.257175 O\n0.968056 0.467117 0.242825 O\n0.031586 0.030175 0.742553 O\n0.971647 0.239794 0.471162 O\n0.533931 0.745486 0.532950 O\n0.471647 0.760206 0.028838 O\n0.033931 0.254514 0.967050 O\n0.757405 0.466782 0.967572 O\n0.257405 0.533218 0.532428 O\n0.242836 0.029110 0.468198 O\n0.742836 0.970890 0.031802 O\n0.468414 0.030175 0.242553 O\n0.531944 0.467117 0.742825 O\n0.031944 0.532883 0.757175 O\n0.968414 0.969825 0.257447 O\n0.028353 0.760206 0.528838 O\n0.466069 0.254514 0.467050 O\n0.528353 0.239794 0.971162 O\n0.966069 0.745486 0.032950 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"V",
"Sb",
"Se",
"O"
],
"chemical_system": "O-Sb-Se-V",
"density": 4.067986297805247,
"density_atomic": 0.06479669722228669,
"volume": 555.5838729943457,
"volume_molar": 9.293900797660868,
"formula_full": "V2 Sb2 Se8 O24",
"formula_reduced": "VSb(SeO3)4",
"formula_anonymous": "ABC4D12",
"energy": -228.61132495,
"energy_per_atom": -6.350314581944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.72332495,
"band_gap": 1.5958,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9988802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.543000Z",
"spacegroup": 14
},
{
"id": "mp-1142725",
"created_at": "2022-09-04T14:41:17.814328Z",
"structure_string": "Si12 Sb12 O48\n1.0\n-5.965472 5.965472 5.965472\n5.965472 -5.965472 5.965472\n5.965472 5.965472 -5.965472\nSi Sb O\n12 12 48\ndirect\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.875000 0.250000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.625000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.875000 0.625000 0.250000 Sb\n0.625000 0.250000 0.875000 Sb\n0.875000 0.750000 0.625000 Sb\n0.750000 0.625000 0.875000 Sb\n0.250000 0.875000 0.625000 Sb\n0.625000 0.875000 0.750000 Sb\n0.125000 0.375000 0.750000 Sb\n0.375000 0.750000 0.125000 Sb\n0.125000 0.250000 0.375000 Sb\n0.250000 0.375000 0.125000 Sb\n0.750000 0.125000 0.375000 Sb\n0.375000 0.125000 0.250000 Sb\n0.473146 0.370474 0.275504 O\n0.302359 0.897329 0.026854 O\n0.602671 0.905030 0.129526 O\n0.594970 0.197641 0.224496 O\n0.129526 0.026854 0.224496 O\n0.197641 0.224496 0.594970 O\n0.197641 0.473146 0.602671 O\n0.224496 0.594970 0.197641 O\n0.370474 0.594970 0.897329 O\n0.905030 0.275504 0.302359 O\n0.275504 0.302359 0.905030 O\n0.224496 0.129526 0.026854 O\n0.473146 0.602671 0.197641 O\n0.897329 0.370474 0.594970 O\n0.026854 0.224496 0.129526 O\n0.602671 0.197641 0.473146 O\n0.594970 0.897329 0.370474 O\n0.026854 0.302359 0.897329 O\n0.905030 0.129526 0.602671 O\n0.629526 0.405030 0.102671 O\n0.370474 0.275504 0.473146 O\n0.275504 0.473146 0.370474 O\n0.897329 0.026854 0.302359 O\n0.302359 0.905030 0.275504 O\n0.526854 0.629526 0.724496 O\n0.697641 0.102671 0.973146 O\n0.397329 0.094970 0.870474 O\n0.405030 0.802359 0.775504 O\n0.870474 0.973146 0.775504 O\n0.802359 0.775504 0.405030 O\n0.802359 0.526854 0.397329 O\n0.775504 0.405030 0.802359 O\n0.697641 0.094970 0.724496 O\n0.102671 0.973146 0.697641 O\n0.724496 0.526854 0.629526 O\n0.629526 0.724496 0.526854 O\n0.870474 0.397329 0.094970 O\n0.094970 0.870474 0.397329 O\n0.973146 0.697641 0.102671 O\n0.405030 0.102671 0.629526 O\n0.397329 0.802359 0.526854 O\n0.973146 0.775504 0.870474 O\n0.102671 0.629526 0.405030 O\n0.526854 0.397329 0.802359 O\n0.775504 0.870474 0.973146 O\n0.724496 0.697641 0.094970 O\n0.094970 0.724496 0.697641 O\n0.129526 0.602671 0.905030 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 5.018005799982409,
"density_atomic": 0.0847887182867258,
"volume": 849.1695765056994,
"volume_molar": 7.10252599837071,
"formula_full": "Si12 Sb12 O48",
"formula_reduced": "SiSbO4",
"formula_anonymous": "ABC4",
"energy": -504.20312367,
"energy_per_atom": -7.002821162083333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -471.2271236700001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.6013463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.488000Z",
"spacegroup": 230
},
{
"id": "mp-769028",
"created_at": "2022-09-04T14:47:18.309648Z",
"structure_string": "Si6 Sb4 O18\n1.0\n3.490231 -6.045257 0.000000\n3.490231 6.045257 0.000000\n0.000000 0.000000 9.500031\nSi Sb O\n6 4 18\ndirect\n0.205214 0.927441 0.250000 Si\n0.072559 0.277773 0.250000 Si\n0.277773 0.205214 0.750000 Si\n0.722227 0.794786 0.250000 Si\n0.927441 0.722227 0.750000 Si\n0.794786 0.072559 0.750000 Si\n0.333333 0.666667 0.991188 Sb\n0.333333 0.666667 0.508812 Sb\n0.666667 0.333333 0.491188 Sb\n0.666667 0.333333 0.008812 Sb\n0.181606 0.936323 0.750000 O\n0.322452 0.903373 0.107655 O\n0.322452 0.903373 0.392345 O\n0.096627 0.419078 0.107655 O\n0.096627 0.419078 0.392345 O\n0.063677 0.245283 0.750000 O\n0.245283 0.181606 0.250000 O\n0.580922 0.677548 0.107655 O\n0.580922 0.677548 0.392345 O\n0.419078 0.322452 0.607655 O\n0.419078 0.322452 0.892345 O\n0.754717 0.818394 0.750000 O\n0.936323 0.754717 0.250000 O\n0.903373 0.580922 0.607655 O\n0.903373 0.580922 0.892345 O\n0.677548 0.096627 0.607655 O\n0.677548 0.096627 0.892345 O\n0.818394 0.063677 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 3.908287178923094,
"density_atomic": 0.0698447991879039,
"volume": 400.8888324622629,
"volume_molar": 8.62217492214216,
"formula_full": "Si6 Sb4 O18",
"formula_reduced": "Si3Sb2O9",
"formula_anonymous": "A2B3C9",
"energy": -214.18589128,
"energy_per_atom": -7.649496117142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.81989128,
"band_gap": 4.1105,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.911000Z",
"spacegroup": 176
},
{
"id": "mp-1043416",
"created_at": "2022-09-04T14:44:01.083361Z",
"structure_string": "Si16 Sb4 O40\n1.0\n7.416713 0.000000 0.000000\n0.000000 7.416713 0.000000\n0.000000 0.000000 16.273540\nSi Sb O\n16 4 40\ndirect\n0.173784 0.256193 0.653795 Si\n0.826216 0.743807 0.653795 Si\n0.256193 0.173784 0.846205 Si\n0.756193 0.326216 0.653795 Si\n0.243807 0.673784 0.653795 Si\n0.326216 0.756193 0.846205 Si\n0.673784 0.243807 0.846205 Si\n0.743807 0.826216 0.846205 Si\n0.326216 0.243807 0.346205 Si\n0.673784 0.756193 0.346205 Si\n0.243807 0.326216 0.153795 Si\n0.743807 0.173784 0.346205 Si\n0.256193 0.826216 0.346205 Si\n0.173784 0.743807 0.153795 Si\n0.826216 0.256193 0.153795 Si\n0.756193 0.673784 0.153795 Si\n0.500000 0.000000 0.560152 Sb\n0.000000 0.500000 0.939848 Sb\n0.000000 0.500000 0.439848 Sb\n0.500000 0.000000 0.060152 Sb\n0.263549 0.099684 0.596822 O\n0.736451 0.900316 0.596822 O\n0.099684 0.263549 0.903178 O\n0.599684 0.236451 0.596822 O\n0.400316 0.763549 0.596822 O\n0.236451 0.599684 0.903178 O\n0.763549 0.400316 0.903178 O\n0.900316 0.736451 0.903178 O\n0.236451 0.400316 0.403178 O\n0.763549 0.599684 0.403178 O\n0.400316 0.236451 0.096822 O\n0.900316 0.263549 0.403178 O\n0.099684 0.736451 0.403178 O\n0.263549 0.900316 0.096822 O\n0.736451 0.099684 0.096822 O\n0.251986 0.041743 0.366460 O\n0.599684 0.763549 0.096822 O\n0.751986 0.541743 0.633540 O\n0.458257 0.248014 0.866460 O\n0.958257 0.251986 0.633540 O\n0.041743 0.748014 0.633540 O\n0.251986 0.958257 0.866460 O\n0.748014 0.041743 0.866460 O\n0.541743 0.751986 0.866460 O\n0.710275 0.710275 0.250000 O\n0.789725 0.210275 0.250000 O\n0.210275 0.789725 0.250000 O\n0.289725 0.289725 0.250000 O\n0.789725 0.789725 0.750000 O\n0.710275 0.289725 0.750000 O\n0.289725 0.710275 0.750000 O\n0.210275 0.210275 0.750000 O\n0.958257 0.748014 0.133540 O\n0.751986 0.458257 0.133540 O\n0.248014 0.541743 0.133540 O\n0.458257 0.751986 0.366460 O\n0.541743 0.248014 0.366460 O\n0.041743 0.251986 0.133540 O\n0.748014 0.958257 0.366460 O\n0.248014 0.458257 0.633540 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 2.9241936690179933,
"density_atomic": 0.06702645760327236,
"volume": 895.1688951717879,
"volume_molar": 8.984721817830318,
"formula_full": "Si16 Sb4 O40",
"formula_reduced": "Si4SbO10",
"formula_anonymous": "AB4C10",
"energy": -469.8054749,
"energy_per_atom": -7.830091248333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -442.3254749,
"band_gap": 0.2319,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.1072754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.633000Z",
"spacegroup": 130
},
{
"id": "mp-1041875",
"created_at": "2022-09-04T14:41:07.768146Z",
"structure_string": "Si16 Sb8 O48\n1.0\n5.230736 0.000000 0.000000\n0.000000 10.217926 0.000000\n0.000000 0.000000 19.514802\nSi Sb O\n16 8 48\ndirect\n0.602608 0.166538 0.266363 Si\n0.756951 0.334123 0.985143 Si\n0.743049 0.334123 0.485143 Si\n0.897392 0.666538 0.733637 Si\n0.102608 0.833462 0.233637 Si\n0.397392 0.333462 0.766363 Si\n0.256951 0.165877 0.985143 Si\n0.756951 0.834123 0.514857 Si\n0.743049 0.834123 0.014857 Si\n0.897392 0.166538 0.766363 Si\n0.397392 0.833462 0.733637 Si\n0.602608 0.666538 0.233637 Si\n0.243049 0.665877 0.014857 Si\n0.102608 0.333462 0.266363 Si\n0.243049 0.165877 0.485143 Si\n0.256951 0.665877 0.514857 Si\n0.433080 0.515255 0.374495 Sb\n0.566920 0.484745 0.625505 Sb\n0.933080 0.484745 0.125505 Sb\n0.066920 0.515255 0.874495 Sb\n0.433080 0.015255 0.125505 Sb\n0.566920 0.984745 0.874495 Sb\n0.933080 0.984745 0.374495 Sb\n0.066920 0.015255 0.625505 Sb\n0.858000 0.027512 0.807196 O\n0.283025 0.526119 0.555819 O\n0.142000 0.972488 0.192804 O\n0.755917 0.856945 0.431621 O\n0.255917 0.643055 0.431621 O\n0.987222 0.733933 0.537704 O\n0.890081 0.143134 0.682955 O\n0.109919 0.356866 0.182955 O\n0.755917 0.356945 0.068379 O\n0.890081 0.643134 0.817045 O\n0.358000 0.972488 0.692804 O\n0.744083 0.856945 0.931621 O\n0.716975 0.473881 0.444181 O\n0.390081 0.356866 0.682955 O\n0.642000 0.527512 0.192804 O\n0.283025 0.026119 0.944181 O\n0.358000 0.472488 0.807196 O\n0.172669 0.229787 0.788664 O\n0.327331 0.229787 0.288664 O\n0.512778 0.233933 0.462296 O\n0.744083 0.356945 0.568379 O\n0.609919 0.143134 0.182955 O\n0.783025 0.973881 0.555819 O\n0.172669 0.729787 0.711336 O\n0.244083 0.643055 0.931621 O\n0.609919 0.643134 0.317045 O\n0.716975 0.973881 0.055819 O\n0.255917 0.143055 0.068379 O\n0.216975 0.026119 0.444181 O\n0.672669 0.270213 0.788664 O\n0.142000 0.472488 0.307196 O\n0.827331 0.270213 0.288664 O\n0.827331 0.770213 0.211336 O\n0.783025 0.473881 0.944181 O\n0.244083 0.143055 0.568379 O\n0.216975 0.526119 0.055819 O\n0.327331 0.729787 0.211336 O\n0.012778 0.266067 0.462296 O\n0.487222 0.266067 0.962296 O\n0.672669 0.770213 0.711336 O\n0.487222 0.766067 0.537704 O\n0.512778 0.733933 0.037704 O\n0.012778 0.766067 0.037704 O\n0.390081 0.856866 0.817045 O\n0.642000 0.027512 0.307196 O\n0.987222 0.233933 0.962296 O\n0.109919 0.856866 0.317045 O\n0.858000 0.527512 0.692804 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 3.488870552703435,
"density_atomic": 0.0690307819230711,
"volume": 1043.0129573244271,
"volume_molar": 8.723848393766072,
"formula_full": "Si16 Sb8 O48",
"formula_reduced": "Si2SbO6",
"formula_anonymous": "AB2C6",
"energy": -544.49651475,
"energy_per_atom": -7.56245159375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -511.52051475,
"band_gap": 0.2004999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.002302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.299000Z",
"spacegroup": 61
},
{
"id": "mp-1044140",
"created_at": "2022-09-04T14:44:29.969121Z",
"structure_string": "Si2 Sb15 O28\n1.0\n7.027479 0.000000 0.000000\n-1.146472 9.333149 0.000000\n-2.997591 -0.462027 13.953076\nSi Sb O\n2 15 28\ndirect\n0.147251 0.616367 0.996176 Si\n0.763770 0.296136 0.991994 Si\n0.896812 0.357973 0.249951 Sb\n0.664001 0.651374 0.893700 Sb\n0.408389 0.679756 0.433626 Sb\n0.964933 0.676968 0.560192 Sb\n0.377443 0.410862 0.190156 Sb\n0.393734 0.106367 0.577365 Sb\n0.140571 0.328419 0.873006 Sb\n0.035740 0.938082 0.999677 Sb\n0.452836 0.004905 0.868600 Sb\n0.800166 0.652990 0.131369 Sb\n0.642181 0.350795 0.758521 Sb\n0.534581 0.072744 0.124968 Sb\n0.837558 0.104961 0.419374 Sb\n0.904046 0.032231 0.666277 Sb\n0.267336 0.030743 0.330373 Sb\n0.662069 0.563244 0.764567 O\n0.223070 0.735744 0.515273 O\n0.907537 0.599907 0.003085 O\n0.226755 0.788204 0.003748 O\n0.958924 0.304073 0.387494 O\n0.145231 0.308604 0.226285 O\n0.037691 0.988179 0.387765 O\n0.979290 0.139423 0.556449 O\n0.635258 0.129513 0.993565 O\n0.215008 0.058085 0.896399 O\n0.146038 0.544605 0.891597 O\n0.910952 0.322939 0.762252 O\n0.422218 0.150481 0.443801 O\n0.834469 0.836432 0.888020 O\n0.638114 0.382604 0.902198 O\n0.971651 0.267440 0.965560 O\n0.383466 0.236789 0.111363 O\n0.928920 0.845697 0.116233 O\n0.623789 0.995748 0.602249 O\n0.007492 0.850085 0.643861 O\n0.766881 0.146382 0.219123 O\n0.265472 0.525148 0.079961 O\n0.390245 0.851583 0.355595 O\n0.706814 0.727454 0.480768 O\n0.773012 0.374975 0.093573 O\n0.511418 0.154937 0.777691 O\n0.991422 0.578133 0.234512 O\n0.526474 0.317991 0.624177 O\n",
"nsites": 45,
"nelements": 3,
"elements": [
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 4.2287361602161,
"density_atomic": 0.04917165188063725,
"volume": 915.1614452415832,
"volume_molar": 12.247180091932991,
"formula_full": "Si2 Sb15 O28",
"formula_reduced": "Si2Sb15O28",
"formula_anonymous": "A2B15C28",
"energy": -292.04757511,
"energy_per_atom": -6.489946113555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.81157511,
"band_gap": 0.4383000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0908965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.536000Z",
"spacegroup": 1
},
{
"id": "mp-1323719",
"created_at": "2022-09-04T14:46:58.748957Z",
"structure_string": "Si4 Sb2 O12\n1.0\n4.649816 5.010370 0.000000\n-4.649816 5.010370 0.000000\n0.000000 1.891436 5.155779\nSi Sb O\n4 2 12\ndirect\n0.777819 0.618416 0.259911 Si\n0.381584 0.222181 0.240089 Si\n0.618416 0.777819 0.759911 Si\n0.222181 0.381584 0.740089 Si\n0.879238 0.120762 0.250000 Sb\n0.120762 0.879238 0.750000 Sb\n0.657831 0.633447 0.031363 O\n0.366553 0.342169 0.468637 O\n0.342169 0.366553 0.968637 O\n0.633447 0.657831 0.531363 O\n0.886091 0.397601 0.317178 O\n0.602399 0.113909 0.182822 O\n0.113909 0.602399 0.682822 O\n0.397601 0.886091 0.817178 O\n0.807675 0.947083 0.646599 O\n0.052917 0.192325 0.853401 O\n0.947083 0.807675 0.146599 O\n0.192325 0.052917 0.353401 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 3.7869076451349954,
"density_atomic": 0.07492774290853592,
"volume": 240.23144567390142,
"volume_molar": 8.037264337925151,
"formula_full": "Si4 Sb2 O12",
"formula_reduced": "Si2SbO6",
"formula_anonymous": "AB2C6",
"energy": -136.79201321,
"energy_per_atom": -7.599556289444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.54801321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.852000Z",
"spacegroup": 15
}
]
}