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=formula_anonymous&page=67",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=65",
"results": [
{
"id": "mp-759504",
"created_at": "2022-09-04T14:44:02.419037Z",
"structure_string": "Fe10 O11\n1.0\n5.353782 0.000000 0.000000\n-1.738356 6.581746 0.000000\n-1.007084 -2.394697 6.370363\nFe O\n10 11\ndirect\n0.086420 0.345491 0.817562 Fe\n0.556869 0.183849 0.915483 Fe\n0.170414 0.732961 0.638881 Fe\n0.649246 0.555890 0.735489 Fe\n0.273780 0.096275 0.439928 Fe\n0.726220 0.903725 0.560072 Fe\n0.350754 0.444110 0.264511 Fe\n0.829586 0.267039 0.361119 Fe\n0.443131 0.816151 0.084517 Fe\n0.913580 0.654509 0.182438 Fe\n0.168340 0.054812 0.714078 O\n0.062166 0.663777 0.906266 O\n0.500000 0.500000 0.000000 O\n0.674296 0.224562 0.652532 O\n0.240507 0.424218 0.551301 O\n0.574868 0.874966 0.828248 O\n0.325704 0.775438 0.347468 O\n0.425132 0.125034 0.171752 O\n0.759493 0.575782 0.448699 O\n0.831661 0.945188 0.285922 O\n0.937834 0.336223 0.093734 O\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.43302180732747,
"density_atomic": 0.09355205095870295,
"volume": 224.47396700335423,
"volume_molar": 6.437208696427593,
"formula_full": "Fe10 O11",
"formula_reduced": "Fe10O11",
"formula_anonymous": "A10B11",
"energy": -170.19244336,
"energy_per_atom": -8.104402064761905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.07544336,
"band_gap": 1.3085999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 41.9999607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.747000Z",
"spacegroup": 2
},
{
"id": "mp-1201140",
"created_at": "2022-09-04T14:41:49.890693Z",
"structure_string": "Tb22 Sn20\n1.0\n-5.850779 5.850779 8.597772\n5.850779 -5.850779 8.597772\n5.850779 5.850779 -8.597772\nTb Sn\n22 20\ndirect\n0.811135 0.063014 0.251879 Tb\n0.811135 0.559256 0.748121 Tb\n0.063014 0.811135 0.251879 Tb\n0.559256 0.811135 0.748121 Tb\n0.188865 0.936986 0.748121 Tb\n0.188865 0.440744 0.251879 Tb\n0.936986 0.188865 0.748121 Tb\n0.440744 0.188865 0.251879 Tb\n0.174425 0.174425 0.348851 Tb\n0.825575 0.825575 0.651149 Tb\n0.174425 0.825575 0.000000 Tb\n0.825575 0.174425 0.000000 Tb\n0.663089 0.663089 0.000000 Tb\n0.336911 0.336911 0.000000 Tb\n0.602099 0.931247 0.329147 Tb\n0.602099 0.272952 0.670853 Tb\n0.931247 0.602099 0.329147 Tb\n0.272952 0.602099 0.670853 Tb\n0.397901 0.068753 0.670853 Tb\n0.397901 0.727048 0.329147 Tb\n0.068753 0.397901 0.670853 Tb\n0.727048 0.397901 0.329147 Tb\n0.356640 0.000000 0.356640 Sn\n0.643360 0.000000 0.643360 Sn\n0.000000 0.643360 0.643360 Sn\n0.000000 0.356640 0.356640 Sn\n0.888316 0.888316 0.000000 Sn\n0.111684 0.111684 0.000000 Sn\n0.370573 0.370573 0.741145 Sn\n0.629427 0.629427 0.258855 Sn\n0.370573 0.629427 0.000000 Sn\n0.629427 0.370573 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.883024 0.883024 0.414038 Sn\n0.468986 0.468986 0.585962 Sn\n0.883024 0.468986 0.000000 Sn\n0.468986 0.883024 0.000000 Sn\n0.116976 0.116976 0.585962 Sn\n0.531014 0.531014 0.414038 Sn\n0.116976 0.531014 0.000000 Sn\n0.531014 0.116976 0.000000 Sn\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Tb",
"Sn"
],
"chemical_system": "Sn-Tb",
"density": 8.280473185769727,
"density_atomic": 0.03567598618878121,
"volume": 1177.262480643281,
"volume_molar": 16.880096118810982,
"formula_full": "Tb22 Sn20",
"formula_reduced": "Tb11Sn10",
"formula_anonymous": "A10B11",
"energy": -213.48087095,
"energy_per_atom": -5.082877879761905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.48087095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.119645,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.945000Z",
"spacegroup": 139
},
{
"id": "mp-799417",
"created_at": "2022-09-04T14:41:21.025626Z",
"structure_string": "Fe10 O11\n1.0\n6.879703 0.000000 0.000000\n-2.036515 6.495681 0.000000\n-0.783712 -1.678472 5.023097\nFe O\n10 11\ndirect\n0.654509 0.913580 0.182438 Fe\n0.816151 0.443131 0.084517 Fe\n0.267039 0.829586 0.361119 Fe\n0.444110 0.350754 0.264511 Fe\n0.903725 0.726220 0.560072 Fe\n0.096275 0.273780 0.439928 Fe\n0.555890 0.649246 0.735489 Fe\n0.732961 0.170414 0.638881 Fe\n0.183849 0.556869 0.915483 Fe\n0.345491 0.086420 0.817562 Fe\n0.945188 0.831661 0.285922 O\n0.336223 0.937834 0.093734 O\n0.500000 0.500000 0.000000 O\n0.775438 0.325704 0.347468 O\n0.575782 0.759493 0.448699 O\n0.125034 0.425132 0.171752 O\n0.224562 0.674296 0.652532 O\n0.874966 0.574868 0.828248 O\n0.424218 0.240507 0.551301 O\n0.054812 0.168339 0.714078 O\n0.663777 0.062166 0.906266 O\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.433022284851316,
"density_atomic": 0.09355205918126061,
"volume": 224.47394727369618,
"volume_molar": 6.4372081306429365,
"formula_full": "Fe10 O11",
"formula_reduced": "Fe10O11",
"formula_anonymous": "A10B11",
"energy": -156.41858716,
"energy_per_atom": -7.4485041504761895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.30158715999998,
"band_gap": 0.1862999999999992,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 42.0000055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.714000Z",
"spacegroup": 2
},
{
"id": "mp-1196279",
"created_at": "2022-09-04T14:46:05.336478Z",
"structure_string": "Sc22 Ge20\n1.0\n-5.172450 5.172450 7.687806\n5.172450 -5.172450 7.687806\n5.172450 5.172450 -7.687806\nSc Ge\n22 20\ndirect\n0.810650 0.062591 0.251941 Sc\n0.810650 0.558710 0.748059 Sc\n0.062591 0.810650 0.251941 Sc\n0.558710 0.810650 0.748059 Sc\n0.189350 0.937409 0.748059 Sc\n0.189350 0.441290 0.251941 Sc\n0.937409 0.189350 0.748059 Sc\n0.441290 0.189350 0.251941 Sc\n0.176479 0.176479 0.352958 Sc\n0.823521 0.823521 0.647042 Sc\n0.176479 0.823521 0.000000 Sc\n0.823521 0.176479 0.000000 Sc\n0.661928 0.661928 0.000000 Sc\n0.338072 0.338072 0.000000 Sc\n0.602506 0.929637 0.327131 Sc\n0.602506 0.275374 0.672869 Sc\n0.929637 0.602506 0.327131 Sc\n0.275374 0.602506 0.672869 Sc\n0.397494 0.070363 0.672869 Sc\n0.397494 0.724626 0.327131 Sc\n0.070363 0.397494 0.672869 Sc\n0.724626 0.397494 0.327131 Sc\n0.358775 0.000000 0.358775 Ge\n0.641225 0.000000 0.641225 Ge\n0.000000 0.641225 0.641225 Ge\n0.000000 0.358775 0.358775 Ge\n0.887208 0.887208 0.000000 Ge\n0.112792 0.112792 0.000000 Ge\n0.374467 0.374467 0.748934 Ge\n0.625533 0.625533 0.251066 Ge\n0.374467 0.625533 0.000000 Ge\n0.625533 0.374467 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.885732 0.885732 0.415352 Ge\n0.470380 0.470380 0.584648 Ge\n0.885732 0.470380 0.000000 Ge\n0.470380 0.885732 0.000000 Ge\n0.114268 0.114268 0.584648 Ge\n0.529620 0.529620 0.415352 Ge\n0.114268 0.529620 0.000000 Ge\n0.529620 0.114268 0.000000 Ge\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Sc",
"Ge"
],
"chemical_system": "Ge-Sc",
"density": 4.928440579026533,
"density_atomic": 0.05104982776503795,
"volume": 822.7255965154142,
"volume_molar": 11.796593688263785,
"formula_full": "Sc22 Ge20",
"formula_reduced": "Sc11Ge10",
"formula_anonymous": "A10B11",
"energy": -266.28698923,
"energy_per_atom": -6.340166410238096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.28698923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.931000Z",
"spacegroup": 139
},
{
"id": "mp-684733",
"created_at": "2022-09-04T14:40:40.565318Z",
"structure_string": "Ti20 O22\n1.0\n6.705412 0.000000 0.000000\n-2.235642 6.426032 0.000000\n-2.800567 -1.895537 9.862361\nTi O\n20 22\ndirect\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.126166 0.183235 0.945052 Ti\n0.335074 0.090067 0.739812 Ti\n0.975317 0.279829 0.702950 Ti\n0.129263 0.191967 0.433014 Ti\n0.758630 0.361570 0.388907 Ti\n0.976317 0.283227 0.196590 Ti\n0.609387 0.469276 0.154309 Ti\n0.757143 0.340999 0.889217 Ti\n0.390613 0.530724 0.845691 Ti\n0.598077 0.468826 0.636209 Ti\n0.241370 0.638430 0.611093 Ti\n0.401923 0.531174 0.363791 Ti\n0.024683 0.720171 0.297050 Ti\n0.242857 0.659001 0.110783 Ti\n0.873834 0.816765 0.054948 Ti\n0.023683 0.716773 0.803410 Ti\n0.870737 0.808033 0.566986 Ti\n0.664926 0.909933 0.260188 Ti\n0.098072 0.485030 0.402354 O\n0.901034 0.522418 0.095116 O\n0.098966 0.477582 0.904884 O\n0.722993 0.629014 0.848070 O\n0.901928 0.514970 0.597646 O\n0.542861 0.734564 0.566370 O\n0.732405 0.662936 0.356560 O\n0.364399 0.821995 0.307840 O\n0.538604 0.714457 0.055583 O\n0.171420 0.901160 0.009054 O\n0.368931 0.817872 0.803877 O\n0.998873 0.998678 0.753743 O\n0.176751 0.906841 0.519505 O\n0.823249 0.093159 0.480495 O\n0.001127 0.001322 0.246257 O\n0.631069 0.182128 0.196123 O\n0.828580 0.098840 0.990946 O\n0.461396 0.285543 0.944417 O\n0.635601 0.178005 0.692160 O\n0.267595 0.337064 0.643440 O\n0.457139 0.265436 0.433630 O\n0.277007 0.370986 0.151930 O\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.116204652109295,
"density_atomic": 0.09883255979102323,
"volume": 424.9611675424274,
"volume_molar": 6.093276115415336,
"formula_full": "Ti20 O22",
"formula_reduced": "Ti10O11",
"formula_anonymous": "A10B11",
"energy": -386.7218334,
"energy_per_atom": -9.2076627,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.6078334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.830000Z",
"spacegroup": 2
},
{
"id": "mp-30624",
"created_at": "2022-09-04T14:47:24.051195Z",
"structure_string": "Dy22 Sn20\n1.0\n-5.829130 5.829130 8.539466\n5.829130 -5.829130 8.539466\n5.829130 5.829130 -8.539466\nDy Sn\n22 20\ndirect\n0.811438 0.063455 0.252017 Dy\n0.811438 0.559420 0.747983 Dy\n0.063455 0.811438 0.252017 Dy\n0.559420 0.811438 0.747983 Dy\n0.188562 0.936545 0.747983 Dy\n0.188562 0.440580 0.252017 Dy\n0.936545 0.188562 0.747983 Dy\n0.440580 0.188562 0.252017 Dy\n0.174511 0.174511 0.349022 Dy\n0.825489 0.825489 0.650978 Dy\n0.174511 0.825489 0.000000 Dy\n0.825489 0.174511 0.000000 Dy\n0.664161 0.664161 0.000000 Dy\n0.335839 0.335839 0.000000 Dy\n0.602060 0.931714 0.329653 Dy\n0.602060 0.272407 0.670347 Dy\n0.931714 0.602060 0.329653 Dy\n0.272407 0.602060 0.670347 Dy\n0.397940 0.068286 0.670347 Dy\n0.397940 0.727593 0.329653 Dy\n0.068286 0.397940 0.670347 Dy\n0.727593 0.397940 0.329653 Dy\n0.355974 0.000000 0.355974 Sn\n0.644026 0.000000 0.644026 Sn\n0.000000 0.644026 0.644026 Sn\n0.000000 0.355974 0.355974 Sn\n0.888108 0.888108 0.000000 Sn\n0.111892 0.111892 0.000000 Sn\n0.370471 0.370471 0.740942 Sn\n0.629529 0.629529 0.259058 Sn\n0.370471 0.629529 0.000000 Sn\n0.629529 0.370471 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.882177 0.882177 0.412737 Sn\n0.469441 0.469441 0.587263 Sn\n0.882177 0.469441 0.000000 Sn\n0.469441 0.882177 0.000000 Sn\n0.117823 0.117823 0.587263 Sn\n0.530559 0.530559 0.412737 Sn\n0.117823 0.530559 0.000000 Sn\n0.530559 0.117823 0.000000 Sn\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Dy",
"Sn"
],
"chemical_system": "Dy-Sn",
"density": 8.511566169761647,
"density_atomic": 0.036186876930730805,
"volume": 1160.6417453596982,
"volume_molar": 16.641780863067094,
"formula_full": "Dy22 Sn20",
"formula_reduced": "Dy11Sn10",
"formula_anonymous": "A10B11",
"energy": -212.39167584,
"energy_per_atom": -5.056944662857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.39167584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.019227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.430000Z",
"spacegroup": 139
},
{
"id": "mp-571643",
"created_at": "2022-09-04T14:42:49.438951Z",
"structure_string": "Yb22 Ge20\n1.0\n-5.459750 5.459750 8.613074\n5.459750 -5.459750 8.613074\n5.459750 5.459750 -8.613074\nYb Ge\n22 20\ndirect\n0.679819 0.320181 0.000000 Yb\n0.104830 0.422590 0.317761 Yb\n0.895170 0.212931 0.317761 Yb\n0.072653 0.321731 0.750922 Yb\n0.320181 0.679819 0.000000 Yb\n0.157329 0.157329 0.000000 Yb\n0.678269 0.429190 0.750922 Yb\n0.320181 0.320181 0.640362 Yb\n0.895170 0.577410 0.682239 Yb\n0.842671 0.842671 0.000000 Yb\n0.927347 0.678269 0.249078 Yb\n0.104830 0.787069 0.682239 Yb\n0.429190 0.678269 0.750922 Yb\n0.212931 0.895170 0.317761 Yb\n0.321731 0.570810 0.249078 Yb\n0.577410 0.895170 0.682239 Yb\n0.679819 0.679819 0.359638 Yb\n0.570810 0.321731 0.249078 Yb\n0.678269 0.927347 0.249078 Yb\n0.422590 0.104830 0.317761 Yb\n0.787069 0.104830 0.682239 Yb\n0.321731 0.072653 0.750922 Yb\n0.119374 0.500000 0.619374 Ge\n0.117563 0.882437 0.000000 Ge\n0.882437 0.117563 0.000000 Ge\n0.016652 0.603840 0.000000 Ge\n0.983348 0.983348 0.587188 Ge\n0.603840 0.016652 0.000000 Ge\n0.117563 0.117563 0.235126 Ge\n0.414603 0.414603 0.000000 Ge\n0.396160 0.983348 0.000000 Ge\n0.882437 0.882437 0.764874 Ge\n0.880626 0.500000 0.380626 Ge\n0.396160 0.396160 0.412812 Ge\n0.983348 0.396160 0.000000 Ge\n0.016652 0.016652 0.412812 Ge\n0.500000 0.119374 0.619374 Ge\n0.585397 0.585397 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.603840 0.603840 0.587188 Ge\n0.750000 0.250000 0.500000 Ge\n0.500000 0.880626 0.380626 Ge\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Yb",
"Ge"
],
"chemical_system": "Ge-Yb",
"density": 8.504420703525543,
"density_atomic": 0.04089644959801143,
"volume": 1026.9840148187882,
"volume_molar": 14.725338798830164,
"formula_full": "Yb22 Ge20",
"formula_reduced": "Yb11Ge10",
"formula_anonymous": "A10B11",
"energy": -151.86999978,
"energy_per_atom": -3.6159523757142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.86999978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6104274,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.516000Z",
"spacegroup": 139
},
{
"id": "mp-1203550",
"created_at": "2022-09-04T14:45:58.583055Z",
"structure_string": "Tm22 Ge20\n1.0\n-5.404078 5.404078 8.089818\n5.404078 -5.404078 8.089818\n5.404078 5.404078 -8.089818\nTm Ge\n22 20\ndirect\n0.810005 0.062526 0.252521 Tm\n0.810005 0.557484 0.747479 Tm\n0.062526 0.810005 0.252521 Tm\n0.557484 0.810005 0.747479 Tm\n0.189995 0.937474 0.747479 Tm\n0.189995 0.442516 0.252521 Tm\n0.937474 0.189995 0.747479 Tm\n0.442516 0.189995 0.252521 Tm\n0.176795 0.176795 0.353590 Tm\n0.823205 0.823205 0.646410 Tm\n0.176795 0.823205 0.000000 Tm\n0.823205 0.176795 0.000000 Tm\n0.660357 0.660357 0.000000 Tm\n0.339643 0.339643 0.000000 Tm\n0.602767 0.926626 0.323859 Tm\n0.602767 0.278909 0.676141 Tm\n0.926626 0.602767 0.323859 Tm\n0.278909 0.602767 0.676141 Tm\n0.397233 0.073374 0.676141 Tm\n0.397233 0.721091 0.323859 Tm\n0.073374 0.397233 0.676141 Tm\n0.721091 0.397233 0.323859 Tm\n0.360991 0.000000 0.360991 Ge\n0.639009 0.000000 0.639009 Ge\n0.000000 0.639009 0.639009 Ge\n0.000000 0.360991 0.360991 Ge\n0.885172 0.885172 0.000000 Ge\n0.114828 0.114828 0.000000 Ge\n0.379020 0.379020 0.758041 Ge\n0.620980 0.620980 0.241959 Ge\n0.379020 0.620980 0.000000 Ge\n0.620980 0.379020 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.890530 0.890530 0.419700 Ge\n0.470830 0.470830 0.580300 Ge\n0.890530 0.470830 0.000000 Ge\n0.470830 0.890530 0.000000 Ge\n0.109470 0.109470 0.580300 Ge\n0.529170 0.529170 0.419700 Ge\n0.109470 0.529170 0.000000 Ge\n0.529170 0.109470 0.000000 Ge\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Tm",
"Ge"
],
"chemical_system": "Ge-Tm",
"density": 9.083292410278585,
"density_atomic": 0.04444340556650422,
"volume": 945.0220896585444,
"volume_molar": 13.550133441031175,
"formula_full": "Tm22 Ge20",
"formula_reduced": "Tm11Ge10",
"formula_anonymous": "A10B11",
"energy": -225.93328842,
"energy_per_atom": -5.37936401,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.93328842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115606,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.987000Z",
"spacegroup": 139
},
{
"id": "mp-1201454",
"created_at": "2022-09-04T14:42:50.041666Z",
"structure_string": "Sm22 Sn20\n1.0\n-5.932668 5.932668 8.766826\n5.932668 -5.932668 8.766826\n5.932668 5.932668 -8.766826\nSm Sn\n22 20\ndirect\n0.810459 0.061925 0.251466 Sm\n0.810459 0.558993 0.748534 Sm\n0.061925 0.810459 0.251466 Sm\n0.558993 0.810459 0.748534 Sm\n0.189541 0.938075 0.748534 Sm\n0.189541 0.441007 0.251466 Sm\n0.938075 0.189541 0.748534 Sm\n0.441007 0.189541 0.251466 Sm\n0.174869 0.174869 0.349739 Sm\n0.825131 0.825131 0.650261 Sm\n0.174869 0.825131 0.000000 Sm\n0.825131 0.174869 0.000000 Sm\n0.661996 0.661996 0.000000 Sm\n0.338004 0.338004 0.000000 Sm\n0.602315 0.929867 0.327552 Sm\n0.602315 0.274762 0.672448 Sm\n0.929867 0.602315 0.327552 Sm\n0.274762 0.602315 0.672448 Sm\n0.397685 0.070133 0.672448 Sm\n0.397685 0.725238 0.327552 Sm\n0.070133 0.397685 0.672448 Sm\n0.725238 0.397685 0.327552 Sm\n0.358667 0.000000 0.358667 Sn\n0.641333 0.000000 0.641333 Sn\n0.000000 0.641333 0.641333 Sn\n0.000000 0.358667 0.358667 Sn\n0.889373 0.889373 0.000000 Sn\n0.110627 0.110627 0.000000 Sn\n0.372607 0.372607 0.745213 Sn\n0.627393 0.627393 0.254787 Sn\n0.372607 0.627393 0.000000 Sn\n0.627393 0.372607 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.884997 0.884997 0.415489 Sn\n0.469508 0.469508 0.584511 Sn\n0.884997 0.469508 0.000000 Sn\n0.469508 0.884997 0.000000 Sn\n0.115003 0.115003 0.584511 Sn\n0.530492 0.530492 0.415489 Sn\n0.115003 0.530492 0.000000 Sn\n0.530492 0.115003 0.000000 Sn\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Sm",
"Sn"
],
"chemical_system": "Sm-Sn",
"density": 7.644639847220819,
"density_atomic": 0.03402881466575645,
"volume": 1234.2481045119987,
"volume_molar": 17.697180519367734,
"formula_full": "Sm22 Sn20",
"formula_reduced": "Sm11Sn10",
"formula_anonymous": "A10B11",
"energy": -215.95695158,
"energy_per_atom": -5.14183218047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -215.95695158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2464913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.695000Z",
"spacegroup": 139
},
{
"id": "mp-1199158",
"created_at": "2022-09-04T14:45:59.842428Z",
"structure_string": "Tm22 Sn20\n1.0\n-5.759372 5.759372 8.427168\n5.759372 -5.759372 8.427168\n5.759372 5.759372 -8.427168\nTm Sn\n22 20\ndirect\n0.811601 0.063646 0.252045 Tm\n0.811601 0.559556 0.747955 Tm\n0.063646 0.811601 0.252045 Tm\n0.559556 0.811601 0.747955 Tm\n0.188399 0.936354 0.747955 Tm\n0.188399 0.440444 0.252045 Tm\n0.936354 0.188399 0.747955 Tm\n0.440444 0.188399 0.252045 Tm\n0.174344 0.174344 0.348689 Tm\n0.825656 0.825656 0.651311 Tm\n0.174344 0.825656 0.000000 Tm\n0.825656 0.174344 0.000000 Tm\n0.664162 0.664162 0.000000 Tm\n0.335838 0.335838 0.000000 Tm\n0.602327 0.932579 0.330252 Tm\n0.602327 0.272074 0.669748 Tm\n0.932579 0.602327 0.330252 Tm\n0.272074 0.602327 0.669748 Tm\n0.397673 0.067421 0.669748 Tm\n0.397673 0.727926 0.330252 Tm\n0.067421 0.397673 0.669748 Tm\n0.727926 0.397673 0.330252 Tm\n0.355760 0.000000 0.355760 Sn\n0.644240 0.000000 0.644240 Sn\n0.000000 0.644240 0.644240 Sn\n0.000000 0.355760 0.355760 Sn\n0.887048 0.887048 0.000000 Sn\n0.112952 0.112952 0.000000 Sn\n0.370047 0.370047 0.740094 Sn\n0.629953 0.629953 0.259906 Sn\n0.370047 0.629953 0.000000 Sn\n0.629953 0.370047 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.881854 0.881854 0.413230 Sn\n0.468624 0.468624 0.586770 Sn\n0.881854 0.468624 0.000000 Sn\n0.468624 0.881854 0.000000 Sn\n0.118146 0.118146 0.586770 Sn\n0.531376 0.531376 0.413230 Sn\n0.118146 0.531376 0.000000 Sn\n0.531376 0.118146 0.000000 Sn\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Tm",
"Sn"
],
"chemical_system": "Sn-Tm",
"density": 9.045407849220364,
"density_atomic": 0.037562750518907416,
"volume": 1118.1289820312566,
"volume_molar": 16.03221456578033,
"formula_full": "Tm22 Sn20",
"formula_reduced": "Tm11Sn10",
"formula_anonymous": "A10B11",
"energy": -207.41488726,
"energy_per_atom": -4.938449696666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.41488726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.363000Z",
"spacegroup": 139
},
{
"id": "mp-542293",
"created_at": "2022-09-04T14:39:17.372923Z",
"structure_string": "Ba22 Bi20\n1.0\n-6.738855 6.738855 9.895154\n6.738855 -6.738855 9.895154\n6.738855 6.738855 -9.895154\nBa Bi\n22 20\ndirect\n0.191273 0.441483 0.250210 Ba\n0.441483 0.191273 0.250210 Ba\n0.941063 0.191273 0.749790 Ba\n0.808727 0.058937 0.250210 Ba\n0.808727 0.558517 0.749790 Ba\n0.058937 0.808727 0.250210 Ba\n0.558517 0.808727 0.749790 Ba\n0.191273 0.941063 0.749790 Ba\n0.346216 0.346216 0.000000 Ba\n0.653784 0.653784 0.000000 Ba\n0.272274 0.604439 0.667835 Ba\n0.604439 0.936604 0.332165 Ba\n0.604439 0.272274 0.667835 Ba\n0.727726 0.395561 0.332165 Ba\n0.063396 0.395561 0.667835 Ba\n0.395561 0.063396 0.667835 Ba\n0.395561 0.727726 0.332165 Ba\n0.936604 0.604439 0.332165 Ba\n0.167912 0.167912 0.335825 Ba\n0.167912 0.832088 0.000000 Ba\n0.832088 0.167912 0.000000 Ba\n0.832088 0.832088 0.664175 Ba\n0.250000 0.750000 0.500000 Bi\n0.750000 0.250000 0.500000 Bi\n0.118907 0.118907 0.000000 Bi\n0.881093 0.881093 0.000000 Bi\n0.531460 0.531460 0.420861 Bi\n0.531460 0.110599 0.000000 Bi\n0.110599 0.531460 0.000000 Bi\n0.468540 0.889401 0.000000 Bi\n0.889401 0.468540 0.000000 Bi\n0.889401 0.889401 0.420861 Bi\n0.468540 0.468540 0.579139 Bi\n0.110599 0.110599 0.579139 Bi\n0.000000 0.357272 0.357272 Bi\n0.357272 0.000000 0.357272 Bi\n0.642728 0.000000 0.642728 Bi\n0.000000 0.642728 0.642728 Bi\n0.620103 0.620103 0.240205 Bi\n0.620103 0.379897 0.000000 Bi\n0.379897 0.620103 0.000000 Bi\n0.379897 0.379897 0.759795 Bi\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 6.652351588002693,
"density_atomic": 0.023366545862472776,
"volume": 1797.4415323170633,
"volume_molar": 25.772490274960585,
"formula_full": "Ba22 Bi20",
"formula_reduced": "Ba11Bi10",
"formula_anonymous": "A10B11",
"energy": -157.41664358,
"energy_per_atom": -3.748015323333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.41664358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6261423,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.794000Z",
"spacegroup": 139
},
{
"id": "mp-1196953",
"created_at": "2022-09-04T14:41:32.176550Z",
"structure_string": "Tb22 Ge20\n1.0\n-5.491862 5.491862 8.284258\n5.491862 -5.491862 8.284258\n5.491862 5.491862 -8.284258\nTb Ge\n22 20\ndirect\n0.809631 0.061885 0.252254 Tb\n0.809631 0.557377 0.747746 Tb\n0.061885 0.809631 0.252254 Tb\n0.557377 0.809631 0.747746 Tb\n0.190369 0.938115 0.747746 Tb\n0.190369 0.442623 0.252254 Tb\n0.938115 0.190369 0.747746 Tb\n0.442623 0.190369 0.252254 Tb\n0.177670 0.177670 0.355340 Tb\n0.822330 0.822330 0.644660 Tb\n0.177670 0.822330 0.000000 Tb\n0.822330 0.177670 0.000000 Tb\n0.659903 0.659903 0.000000 Tb\n0.340097 0.340097 0.000000 Tb\n0.602448 0.926113 0.323665 Tb\n0.602448 0.278783 0.676335 Tb\n0.926113 0.602448 0.323665 Tb\n0.278783 0.602448 0.676335 Tb\n0.397552 0.073887 0.676335 Tb\n0.397552 0.721217 0.323665 Tb\n0.073887 0.397552 0.676335 Tb\n0.721217 0.397552 0.323665 Tb\n0.361243 0.000000 0.361243 Ge\n0.638757 0.000000 0.638757 Ge\n0.000000 0.638757 0.638757 Ge\n0.000000 0.361243 0.361243 Ge\n0.887148 0.887148 0.000000 Ge\n0.112852 0.112852 0.000000 Ge\n0.380573 0.380573 0.761145 Ge\n0.619427 0.619427 0.238855 Ge\n0.380573 0.619427 0.000000 Ge\n0.619427 0.380573 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.891700 0.891700 0.420116 Ge\n0.471584 0.471584 0.579884 Ge\n0.891700 0.471584 0.000000 Ge\n0.471584 0.891700 0.000000 Ge\n0.108300 0.108300 0.579884 Ge\n0.528416 0.528416 0.420116 Ge\n0.108300 0.528416 0.000000 Ge\n0.528416 0.108300 0.000000 Ge\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Tb",
"Ge"
],
"chemical_system": "Ge-Tb",
"density": 8.222948139674184,
"density_atomic": 0.0420239094302706,
"volume": 999.4310517371003,
"volume_molar": 14.330272555894433,
"formula_full": "Tb22 Ge20",
"formula_reduced": "Tb11Ge10",
"formula_anonymous": "A10B11",
"energy": -230.011118,
"energy_per_atom": -5.476455190476191,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.011118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.573000Z",
"spacegroup": 139
}
]
}