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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=3",
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"results": [
{
"id": "mp-1208412",
"created_at": "2022-09-04T14:43:14.381098Z",
"structure_string": "Tm4 Se6 O40\n1.0\n0.000000 -6.849026 0.000000\n-6.252145 3.424513 1.258467\n-0.466775 0.000000 -19.184587\nTm Se O\n4 6 40\ndirect\n0.823766 0.679209 0.603775 Tm\n0.176234 0.320791 0.396225 Tm\n0.144558 0.320791 0.896225 Tm\n0.855442 0.679209 0.103775 Tm\n0.766952 0.588288 0.913528 Se\n0.233048 0.411712 0.086472 Se\n0.178664 0.411712 0.586472 Se\n0.821336 0.588288 0.413528 Se\n0.708254 0.000000 0.750000 Se\n0.291746 0.000000 0.250000 Se\n0.335583 0.599224 0.819412 O\n0.664417 0.400776 0.180588 O\n0.736359 0.400776 0.680588 O\n0.263641 0.599224 0.319412 O\n0.315276 0.678345 0.931957 O\n0.684724 0.321655 0.068043 O\n0.636930 0.321655 0.568043 O\n0.363070 0.678345 0.431957 O\n0.506549 0.398668 0.886334 O\n0.493451 0.601332 0.113666 O\n0.107881 0.601332 0.613666 O\n0.892119 0.398668 0.386334 O\n0.787095 0.721310 0.994875 O\n0.212905 0.278690 0.005125 O\n0.065785 0.278690 0.505125 O\n0.934215 0.721310 0.494875 O\n0.524588 0.919651 0.813276 O\n0.475412 0.080349 0.186724 O\n0.604938 0.080349 0.686724 O\n0.395062 0.919651 0.313276 O\n0.847700 0.753704 0.854719 O\n0.152300 0.246296 0.145281 O\n0.093996 0.246296 0.645281 O\n0.906004 0.753704 0.354719 O\n0.454405 0.537079 0.582131 O\n0.545595 0.462921 0.417869 O\n0.917326 0.462921 0.917869 O\n0.082674 0.537079 0.082131 O\n0.178427 0.011691 0.853471 O\n0.821573 0.988309 0.146529 O\n0.166736 0.988309 0.646529 O\n0.833264 0.011691 0.353471 O\n0.731938 0.938275 0.572547 O\n0.268062 0.061725 0.427453 O\n0.793663 0.061725 0.927453 O\n0.206337 0.938275 0.072547 O\n0.751493 0.802991 0.709668 O\n0.248507 0.197009 0.290332 O\n0.948503 0.197009 0.790332 O\n0.051497 0.802991 0.209668 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Tm",
"Se",
"O"
],
"chemical_system": "O-Se-Tm",
"density": 3.599499883891267,
"density_atomic": 0.06056726452994914,
"volume": 825.5284498654571,
"volume_molar": 9.942897052948773,
"formula_full": "Tm4 Se6 O40",
"formula_reduced": "Tm2Se3O20",
"formula_anonymous": "A2B3C20",
"energy": -275.49515577,
"energy_per_atom": -5.5099031154,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -248.01515577,
"band_gap": 0.421,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.149000Z",
"spacegroup": 15
},
{
"id": "mp-1111161",
"created_at": "2022-09-04T14:43:14.490632Z",
"structure_string": "K3 Tl1 Br6\n1.0\n0.000000 5.892055 5.892055\n5.892055 0.000000 5.892055\n5.892055 5.892055 0.000000\nK Tl Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n0.764635 0.235365 0.235365 Br\n0.235365 0.235365 0.764635 Br\n0.235365 0.764635 0.764635 Br\n0.235365 0.764635 0.235365 Br\n0.764635 0.235365 0.764635 Br\n0.764635 0.764635 0.235365 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Tl",
"Br"
],
"chemical_system": "Br-K-Tl",
"density": 3.2516713890604256,
"density_atomic": 0.024443851005469384,
"volume": 409.1008408520601,
"volume_molar": 24.63662848645464,
"formula_full": "K3 Tl1 Br6",
"formula_reduced": "K3TlBr6",
"formula_anonymous": "AB3C6",
"energy": -30.55525453,
"energy_per_atom": -3.055525453,
"energy_above_hull": null,
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"energy_uncorrected": -27.35125453,
"band_gap": 1.3981,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0118511,
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"updated_at": "2021-11-28T01:36:09.082000Z",
"spacegroup": 225
},
{
"id": "mp-1248478",
"created_at": "2022-09-04T14:43:14.358289Z",
"structure_string": "Al6 Co6 O18\n1.0\n5.290278 -0.077211 -0.006606\n-2.712636 4.836371 0.015320\n-0.013589 0.029265 11.855064\nAl Co O\n6 6 18\ndirect\n0.668579 0.332950 0.252814 Al\n0.334881 0.696071 0.759502 Al\n0.665650 0.335233 0.750463 Al\n0.338995 0.662543 0.254062 Al\n0.994702 0.996106 0.750260 Al\n0.998091 0.991765 0.252414 Al\n0.667414 0.001157 0.499508 Co\n0.631014 0.644053 0.000826 Co\n0.028287 0.335115 0.001676 Co\n0.010467 0.669097 0.502581 Co\n0.333727 0.325345 0.505570 Co\n0.331293 0.031153 0.007117 Co\n0.675218 0.346532 0.999085 O\n0.354915 0.657637 0.506634 O\n0.685971 0.325675 0.496006 O\n0.303692 0.687744 0.002606 O\n0.959660 0.996529 0.998094 O\n0.008581 0.982049 0.495653 O\n0.326362 0.012929 0.828480 O\n0.334426 0.329822 0.336276 O\n0.008197 0.654336 0.324258 O\n0.016175 0.345033 0.830844 O\n0.646474 0.659470 0.823298 O\n0.671060 0.994886 0.324052 O\n0.332005 0.020682 0.177032 O\n0.327888 0.300721 0.664343 O\n0.000917 0.660307 0.678468 O\n0.011818 0.333146 0.171847 O\n0.658745 0.660792 0.176693 O\n0.674795 0.011121 0.679540 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Al",
"Co",
"O"
],
"chemical_system": "Al-Co-O",
"density": 4.43500291432238,
"density_atomic": 0.09972230132030124,
"volume": 300.83541597823785,
"volume_molar": 6.038910735380338,
"formula_full": "Al6 Co6 O18",
"formula_reduced": "AlCoO3",
"formula_anonymous": "ABC3",
"energy": -217.05433627,
"energy_per_atom": -7.235144542333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -194.86033627,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 15.3954286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.395000Z",
"spacegroup": 1
},
{
"id": "mp-600084",
"created_at": "2022-09-04T14:43:14.359583Z",
"structure_string": "Si32 O64\n1.0\n-4.197631 7.414220 13.921562\n4.197631 -7.414220 13.921562\n4.197631 7.414220 -13.921562\nSi O\n32 64\ndirect\n0.319415 0.909922 0.781276 Si\n0.871354 0.590078 0.909493 Si\n0.128646 0.038139 0.718724 Si\n0.680585 0.461861 0.590507 Si\n0.680585 0.090078 0.218724 Si\n0.128646 0.409922 0.090507 Si\n0.871354 0.961861 0.281276 Si\n0.319415 0.538139 0.409493 Si\n0.428917 0.514924 0.287234 Si\n0.772310 0.985076 0.413993 Si\n0.227690 0.641683 0.212766 Si\n0.571083 0.858317 0.086007 Si\n0.571083 0.485076 0.712766 Si\n0.227690 0.014924 0.586007 Si\n0.772310 0.358317 0.787234 Si\n0.428917 0.141683 0.913993 Si\n0.641024 0.042740 0.967916 Si\n0.925176 0.457260 0.098284 Si\n0.074824 0.173108 0.532084 Si\n0.358976 0.326892 0.401716 Si\n0.358976 0.957260 0.032084 Si\n0.074824 0.542740 0.901716 Si\n0.925176 0.826892 0.467916 Si\n0.641024 0.673108 0.598284 Si\n0.045810 0.137827 0.292895 Si\n0.155069 0.362173 0.407983 Si\n0.844931 0.252914 0.207105 Si\n0.954190 0.247086 0.092017 Si\n0.954190 0.862173 0.707105 Si\n0.844931 0.637827 0.592017 Si\n0.155069 0.747086 0.792895 Si\n0.045810 0.752914 0.907983 Si\n0.201941 0.951941 0.750000 O\n0.798059 0.548059 0.750000 O\n0.798059 0.048059 0.250000 O\n0.201941 0.451941 0.250000 O\n0.356176 0.883692 0.873218 O\n0.989526 0.616308 0.972483 O\n0.010474 0.982958 0.626782 O\n0.643824 0.517042 0.527517 O\n0.643824 0.116308 0.126782 O\n0.010474 0.383692 0.027517 O\n0.989526 0.017042 0.373218 O\n0.356176 0.482958 0.472483 O\n0.392440 0.062697 0.913410 O\n0.850713 0.437303 0.829743 O\n0.149287 0.979030 0.586590 O\n0.607560 0.520970 0.670257 O\n0.607560 0.937303 0.086590 O\n0.149287 0.562697 0.170257 O\n0.850713 0.020970 0.413410 O\n0.392440 0.479030 0.329743 O\n0.325083 0.740209 0.584875 O\n0.844666 0.759792 0.084875 O\n0.155334 0.240209 0.915125 O\n0.674917 0.259792 0.415125 O\n0.533433 0.646715 0.462238 O\n0.815523 0.853285 0.386718 O\n0.184477 0.571194 0.037762 O\n0.466567 0.928806 0.113282 O\n0.466567 0.353285 0.537762 O\n0.184477 0.146715 0.613282 O\n0.815523 0.428806 0.962238 O\n0.533433 0.071194 0.886718 O\n0.341084 0.591084 0.250000 O\n0.658916 0.908916 0.250000 O\n0.658916 0.408916 0.750000 O\n0.341084 0.091084 0.750000 O\n0.451664 0.342615 0.109049 O\n0.766434 0.157385 0.609049 O\n0.233566 0.842615 0.390951 O\n0.548336 0.657385 0.890951 O\n0.649692 0.844606 0.805086 O\n0.960480 0.655394 0.305086 O\n0.039520 0.344606 0.694914 O\n0.350308 0.155394 0.194914 O\n0.735182 0.138063 0.052948 O\n0.914885 0.361937 0.097120 O\n0.085115 0.182234 0.447052 O\n0.264818 0.317766 0.402880 O\n0.264818 0.861937 0.947052 O\n0.085115 0.638063 0.902880 O\n0.914885 0.817766 0.552948 O\n0.735182 0.682234 0.597120 O\n0.928997 0.178997 0.250000 O\n0.071003 0.321003 0.250000 O\n0.071003 0.821003 0.750000 O\n0.928997 0.678997 0.750000 O\n0.048959 0.941804 0.107156 O\n0.165352 0.558196 0.607156 O\n0.834648 0.441804 0.392844 O\n0.951041 0.058197 0.892844 O\n0.121049 0.250000 0.371049 O\n0.878951 0.250000 0.128951 O\n0.878951 0.750000 0.628951 O\n0.121049 0.750000 0.871049 O\n",
"nsites": 96,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.8422238366376649,
"density_atomic": 0.055392829372197847,
"volume": 1733.0763040637034,
"volume_molar": 10.871697344679358,
"formula_full": "Si32 O64",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -802.5946659599999,
"energy_per_atom": -8.36036110375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:10.574000Z",
"spacegroup": 72
},
{
"id": "mp-1103715",
"created_at": "2022-09-04T14:43:14.362799Z",
"structure_string": "Cd4 O4 F4\n1.0\n5.774387 0.000000 0.000000\n0.000000 4.058077 0.000000\n0.000000 0.000000 7.281517\nCd O F\n4 4 4\ndirect\n0.726033 0.057209 0.886846 Cd\n0.773967 0.942791 0.386846 Cd\n0.226033 0.442791 0.113154 Cd\n0.273967 0.557209 0.613154 Cd\n0.967049 0.899679 0.658291 O\n0.532951 0.100321 0.158291 O\n0.467049 0.600321 0.341709 O\n0.032951 0.399679 0.841709 O\n0.516973 0.578946 0.881966 F\n0.983027 0.421054 0.381966 F\n0.016973 0.921054 0.118034 F\n0.483027 0.078946 0.618034 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"O",
"F"
],
"chemical_system": "Cd-F-O",
"density": 5.738316138110895,
"density_atomic": 0.0703288001208578,
"volume": 170.62711121728768,
"volume_molar": 8.562837343522345,
"formula_full": "Cd4 O4 F4",
"formula_reduced": "CdOF",
"formula_anonymous": "ABC",
"energy": -48.60433867,
"energy_per_atom": -4.050361555833333,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:11.718000Z",
"spacegroup": 19
},
{
"id": "mp-1227816",
"created_at": "2022-09-04T14:43:14.364472Z",
"structure_string": "Ca3 Mg2 Ni13\n1.0\n12.057897 -2.461964 0.000000\n12.057897 2.461964 0.000000\n11.555217 0.000000 4.234514\nCa Mg Ni\n3 2 13\ndirect\n0.500000 0.500000 0.500000 Ca\n0.957361 0.957361 0.957361 Ca\n0.042639 0.042639 0.042639 Ca\n0.592719 0.592719 0.592719 Mg\n0.407281 0.407281 0.407281 Mg\n0.834025 0.834025 0.834025 Ni\n0.165975 0.165975 0.165975 Ni\n0.055752 0.552741 0.055752 Ni\n0.055752 0.055752 0.552741 Ni\n0.552741 0.055752 0.055752 Ni\n0.944248 0.447259 0.944248 Ni\n0.944248 0.944248 0.447259 Ni\n0.447259 0.944248 0.944248 Ni\n0.722634 0.722634 0.722634 Ni\n0.277366 0.277366 0.277366 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ni"
],
"chemical_system": "Ca-Mg-Ni",
"density": 6.154773737917061,
"density_atomic": 0.07159549044617962,
"volume": 251.4124826553303,
"volume_molar": 8.411340885396989,
"formula_full": "Ca3 Mg2 Ni13",
"formula_reduced": "Ca3Mg2Ni13",
"formula_anonymous": "A2B3C13",
"energy": -87.43312958,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:04.239000Z",
"spacegroup": 166
},
{
"id": "mp-1210314",
"created_at": "2022-09-04T14:45:12.173527Z",
"structure_string": "Rb8 Be12 Co8 F48\n1.0\n10.218389 0.000000 0.000000\n0.000000 10.218389 0.000000\n0.000000 0.000000 10.218389\nRb Be Co F\n8 12 8 48\ndirect\n0.049187 0.049187 0.049187 Rb\n0.450813 0.950813 0.549187 Rb\n0.950813 0.549187 0.450813 Rb\n0.549187 0.450813 0.950813 Rb\n0.815007 0.815007 0.815007 Rb\n0.684993 0.184993 0.315007 Rb\n0.184993 0.315007 0.684993 Rb\n0.315007 0.684993 0.184993 Rb\n0.020255 0.214105 0.375711 Be\n0.479745 0.785895 0.875711 Be\n0.979745 0.714105 0.124289 Be\n0.375711 0.020255 0.214105 Be\n0.520255 0.285895 0.624289 Be\n0.875711 0.479745 0.785895 Be\n0.124289 0.979745 0.714105 Be\n0.624289 0.520255 0.285895 Be\n0.214105 0.375711 0.020255 Be\n0.714105 0.124289 0.979745 Be\n0.285895 0.624289 0.520255 Be\n0.785895 0.875711 0.479745 Be\n0.335358 0.335358 0.335358 Co\n0.164642 0.664642 0.835358 Co\n0.664642 0.835358 0.164642 Co\n0.835358 0.164642 0.664642 Co\n0.599631 0.599631 0.599631 Co\n0.900369 0.400369 0.099631 Co\n0.400369 0.099631 0.900369 Co\n0.099631 0.900369 0.400369 Co\n0.013756 0.068040 0.330020 F\n0.486244 0.931960 0.830020 F\n0.986244 0.568040 0.169980 F\n0.330020 0.013756 0.068040 F\n0.513756 0.431960 0.669980 F\n0.830020 0.486244 0.931960 F\n0.169980 0.986244 0.568040 F\n0.669980 0.513756 0.431960 F\n0.068040 0.330020 0.013756 F\n0.568040 0.169980 0.986244 F\n0.431960 0.669980 0.513756 F\n0.931960 0.830020 0.486244 F\n0.266087 0.496473 0.436925 F\n0.233913 0.503527 0.936925 F\n0.733913 0.996473 0.063075 F\n0.436925 0.266087 0.496473 F\n0.766087 0.003527 0.563075 F\n0.936925 0.233913 0.503527 F\n0.063075 0.733913 0.996473 F\n0.563075 0.766087 0.003527 F\n0.496473 0.436925 0.266087 F\n0.996473 0.063075 0.733913 F\n0.003527 0.563075 0.766087 F\n0.503527 0.936925 0.233913 F\n0.045996 0.804629 0.230085 F\n0.454004 0.195371 0.730085 F\n0.954004 0.304629 0.269915 F\n0.230085 0.045996 0.804629 F\n0.545996 0.695371 0.769915 F\n0.730085 0.454004 0.195371 F\n0.269915 0.954004 0.304629 F\n0.769915 0.545996 0.695371 F\n0.804629 0.230085 0.045996 F\n0.304629 0.269915 0.954004 F\n0.695371 0.769915 0.545996 F\n0.195371 0.730085 0.454004 F\n0.164047 0.256548 0.402595 F\n0.335953 0.743452 0.902595 F\n0.835953 0.756548 0.097405 F\n0.402595 0.164047 0.256548 F\n0.664047 0.243452 0.597405 F\n0.902595 0.335953 0.743452 F\n0.097405 0.835953 0.756548 F\n0.597405 0.664047 0.243452 F\n0.256548 0.402595 0.164047 F\n0.756548 0.097405 0.835953 F\n0.243452 0.597405 0.664047 F\n0.743452 0.902595 0.335953 F\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Be",
"Co",
"F"
],
"chemical_system": "Be-Co-F-Rb",
"density": 3.3854505122842156,
"density_atomic": 0.07123054993398349,
"volume": 1066.9579284511608,
"volume_molar": 8.454435302803814,
"formula_full": "Rb8 Be12 Co8 F48",
"formula_reduced": "Rb2Be3Co2F12",
"formula_anonymous": "A2B2C3D12",
"energy": -428.49610268,
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