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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=10255",
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"results": [
{
"id": "mp-1190486",
"created_at": "2022-09-04T14:41:09.783395Z",
"structure_string": "Sr6 Li2 Ta2 O12\n1.0\n4.724918 -4.952180 0.000000\n4.724918 4.952180 0.000000\n-0.465456 0.000000 6.828784\nSr Li Ta O\n6 2 2 12\ndirect\n0.102287 0.750000 0.397713 Sr\n0.397713 0.102287 0.750000 Sr\n0.750000 0.397713 0.102287 Sr\n0.897713 0.250000 0.602287 Sr\n0.602287 0.897713 0.250000 Sr\n0.250000 0.602287 0.897713 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.219402 0.419710 0.547505 O\n0.547505 0.219402 0.419710 O\n0.419710 0.547505 0.219402 O\n0.047505 0.919710 0.719402 O\n0.719402 0.047505 0.919710 O\n0.919710 0.719402 0.047505 O\n0.780598 0.580290 0.452495 O\n0.452495 0.780598 0.580290 O\n0.580290 0.452495 0.780598 O\n0.952495 0.080290 0.280598 O\n0.280598 0.952495 0.080290 O\n0.080290 0.280598 0.952495 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Sr-Ta",
"density": 5.681984784709882,
"density_atomic": 0.06884281360358287,
"volume": 319.5685772909059,
"volume_molar": 8.747667976903521,
"formula_full": "Sr6 Li2 Ta2 O12",
"formula_reduced": "Sr3LiTaO6",
"formula_anonymous": "ABC3D6",
"energy": -167.63874751,
"energy_per_atom": -7.619943068636363,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -159.39474751,
"band_gap": 3.791,
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"is_magnetic": false,
"total_magnetization": 0.0009433,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.253000Z",
"spacegroup": 167
},
{
"id": "mp-1209083",
"created_at": "2022-09-04T14:42:00.302473Z",
"structure_string": "Sr6 Li3 Si3 O12\n1.0\n2.991099 -5.180736 0.000000\n2.991099 5.180736 0.000000\n0.000000 0.000000 13.597281\nSr Li Si O\n6 3 3 12\ndirect\n0.182150 0.522589 0.932256 Sr\n0.477411 0.659561 0.265590 Sr\n0.522589 0.182150 0.067744 Sr\n0.340439 0.817850 0.598923 Sr\n0.659561 0.477411 0.734410 Sr\n0.817850 0.340439 0.401077 Sr\n0.740021 0.000000 0.833333 Li\n0.000000 0.740021 0.166667 Li\n0.259979 0.259979 0.500000 Li\n0.199546 0.000000 0.333333 Si\n0.000000 0.199546 0.666667 Si\n0.800454 0.800454 0.000000 Si\n0.261056 0.181340 0.642206 O\n0.818660 0.079716 0.975540 O\n0.181340 0.261056 0.357794 O\n0.920284 0.738944 0.308873 O\n0.079716 0.818660 0.024460 O\n0.738944 0.920284 0.691127 O\n0.965394 0.350076 0.569794 O\n0.649924 0.615319 0.903128 O\n0.350076 0.965394 0.430206 O\n0.384681 0.034606 0.236461 O\n0.615319 0.649924 0.096872 O\n0.034606 0.384681 0.763539 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Sr",
"density": 3.2421641412297744,
"density_atomic": 0.05695173034241832,
"volume": 421.4094963524667,
"volume_molar": 10.574113769313588,
"formula_full": "Sr6 Li3 Si3 O12",
"formula_reduced": "Sr2LiSiO4",
"formula_anonymous": "ABC2D4",
"energy": -160.64508504,
"energy_per_atom": -6.69354521,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -152.40108504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.4678292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.759000Z",
"spacegroup": 152
},
{
"id": "mp-780775",
"created_at": "2022-09-04T14:39:41.735857Z",
"structure_string": "Sr6 Li6 Cu6 P8 O32\n1.0\n4.874197 0.000000 0.000000\n0.000000 9.244621 0.000000\n0.000000 7.646470 16.725217\nSr Li Cu P O\n6 6 6 8 32\ndirect\n0.237381 0.796587 0.231655 Sr\n0.781864 0.179329 0.279424 Sr\n0.762619 0.796587 0.731655 Sr\n0.766711 0.493404 0.007427 Sr\n0.218136 0.179329 0.779424 Sr\n0.233289 0.493404 0.507427 Sr\n0.324093 0.532360 0.714276 Li\n0.744896 0.781724 0.404253 Li\n0.239342 0.205927 0.100448 Li\n0.255104 0.781724 0.904253 Li\n0.675907 0.532360 0.214276 Li\n0.760658 0.205927 0.600448 Li\n0.802939 0.278325 0.895123 Cu\n0.393122 0.779372 0.577545 Cu\n0.747090 0.998694 0.503341 Cu\n0.197061 0.278325 0.395123 Cu\n0.606878 0.779372 0.077545 Cu\n0.252910 0.998694 0.003341 Cu\n0.776334 0.453502 0.656204 P\n0.805391 0.059403 0.101006 P\n0.290204 0.537493 0.848783 P\n0.313915 0.935266 0.398474 P\n0.194609 0.059403 0.601006 P\n0.223666 0.453502 0.156204 P\n0.686085 0.935266 0.898474 P\n0.709796 0.537493 0.348783 P\n0.686462 0.422816 0.582828 O\n0.930912 0.915976 0.084872 O\n0.677119 0.318458 0.734991 O\n0.096242 0.458484 0.655043 O\n0.491507 0.038325 0.112015 O\n0.170418 0.385338 0.843359 O\n0.944441 0.059195 0.177447 O\n0.888934 0.216597 0.030498 O\n0.408323 0.773551 0.466599 O\n0.443962 0.939028 0.320550 O\n0.656878 0.615909 0.651621 O\n0.603595 0.516522 0.867673 O\n0.258497 0.677716 0.763467 O\n0.000521 0.945414 0.393424 O\n0.143568 0.583385 0.910242 O\n0.440865 0.075695 0.416318 O\n0.069088 0.915976 0.584872 O\n0.313538 0.422816 0.082828 O\n0.508493 0.038325 0.612015 O\n0.322881 0.318458 0.234991 O\n0.903758 0.458484 0.155043 O\n0.829582 0.385338 0.343359 O\n0.055559 0.059195 0.677447 O\n0.111066 0.216597 0.530498 O\n0.591677 0.773551 0.966599 O\n0.556038 0.939028 0.820550 O\n0.343122 0.615909 0.151621 O\n0.999479 0.945414 0.893424 O\n0.396405 0.516522 0.367673 O\n0.741503 0.677716 0.263467 O\n0.559135 0.075695 0.916318 O\n0.856432 0.583385 0.410242 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P-Sr",
"density": 3.7642459178620413,
"density_atomic": 0.07695981997939444,
"volume": 753.6400165115923,
"volume_molar": 7.82504527896816,
"formula_full": "Sr6 Li6 Cu6 P8 O32",
"formula_reduced": "Sr3Li3Cu3(PO4)4",
"formula_anonymous": "A3B3C3D4E16",
"energy": -398.78862726,
"energy_per_atom": -6.875665987241379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -376.80462726,
"band_gap": 1.3985,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0133377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.572000Z",
"spacegroup": 7
},
{
"id": "mp-568385",
"created_at": "2022-09-04T14:47:57.998066Z",
"structure_string": "Sr6 Li6 Ga6 N12\n1.0\n5.133228 3.063475 0.000000\n-5.133228 3.063475 0.000000\n0.000000 0.305237 12.741351\nSr Li Ga N\n6 6 6 12\ndirect\n0.947526 0.947526 0.256586 Sr\n0.820787 0.179213 0.500000 Sr\n0.179213 0.820787 0.500000 Sr\n0.166060 0.833940 0.000000 Sr\n0.833940 0.166060 0.000000 Sr\n0.052474 0.052474 0.743414 Sr\n0.812892 0.447103 0.318009 Li\n0.187108 0.552897 0.681991 Li\n0.447103 0.812892 0.318009 Li\n0.594956 0.594956 0.081118 Li\n0.552897 0.187108 0.681991 Li\n0.405044 0.405044 0.918882 Li\n0.488879 0.813822 0.812498 Ga\n0.813822 0.488879 0.812498 Ga\n0.511121 0.186178 0.187502 Ga\n0.391766 0.391766 0.411352 Ga\n0.608234 0.608234 0.588648 Ga\n0.186178 0.511121 0.187502 Ga\n0.455284 0.137371 0.343142 N\n0.748719 0.748719 0.891251 N\n0.503226 0.147414 0.850965 N\n0.251281 0.251281 0.108749 N\n0.137371 0.455284 0.343142 N\n0.544716 0.862629 0.656858 N\n0.852586 0.496774 0.149035 N\n0.147414 0.503226 0.850965 N\n0.719372 0.719372 0.433112 N\n0.280628 0.280628 0.566888 N\n0.496774 0.852586 0.149035 N\n0.862629 0.544716 0.656858 N\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ga",
"N"
],
"chemical_system": "Ga-Li-N-Sr",
"density": 4.781051144861461,
"density_atomic": 0.07486363046267092,
"volume": 400.72862903648297,
"volume_molar": 8.044147368731746,
"formula_full": "Sr6 Li6 Ga6 N12",
"formula_reduced": "SrLiGaN2",
"formula_anonymous": "ABCD2",
"energy": -161.66248321999998,
"energy_per_atom": -5.3887494406666665,
"energy_above_hull": null,
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"energy_uncorrected": -157.33048322,
"band_gap": 1.8413,
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"total_magnetization": 0.0055477,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.762000Z",
"spacegroup": 12
},
{
"id": "mp-1218596",
"created_at": "2022-09-04T14:40:34.172644Z",
"structure_string": "Sr6 Mg1 Mo3 O14\n1.0\n2.862771 -10.457392 0.000000\n2.862771 10.457392 0.000000\n0.000000 0.000000 5.674924\nSr Mg Mo O\n6 1 3 14\ndirect\n0.498314 0.501686 0.000000 Sr\n0.997949 0.002051 0.500000 Sr\n0.685661 0.314339 0.000000 Sr\n0.189125 0.810875 0.500000 Sr\n0.814336 0.185664 0.500000 Sr\n0.315291 0.684709 0.000000 Sr\n0.400925 0.599075 0.500000 Mg\n0.901512 0.098488 0.000000 Mo\n0.099884 0.900116 0.000000 Mo\n0.596876 0.403124 0.500000 Mo\n0.663904 0.858696 0.760681 O\n0.141304 0.336096 0.239319 O\n0.141304 0.336096 0.760681 O\n0.663904 0.858696 0.239319 O\n0.842211 0.648122 0.752996 O\n0.351878 0.157789 0.247004 O\n0.351878 0.157789 0.752996 O\n0.842211 0.648122 0.247004 O\n0.806528 0.193472 0.000000 O\n0.302268 0.697732 0.500000 O\n0.699621 0.300379 0.500000 O\n0.197042 0.802958 0.000000 O\n0.498114 0.501886 0.500000 O\n0.997962 0.002038 0.000000 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Sr",
"density": 5.189275709717544,
"density_atomic": 0.070633576828301,
"volume": 339.7817451371631,
"volume_molar": 8.525889570393506,
"formula_full": "Sr6 Mg1 Mo3 O14",
"formula_reduced": "Sr6MgMo3O14",
"formula_anonymous": "AB3C6D14",
"energy": -179.93200811999998,
"energy_per_atom": -7.497167004999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -160.70800812,
"band_gap": 0.3548,
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"total_magnetization": 4.0000996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.356000Z",
"spacegroup": 38
},
{
"id": "mp-1233052",
"created_at": "2022-09-04T14:46:08.328131Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.215220 0.038343 -2.632682\n-2.521732 9.038361 -1.340123\n0.000103 0.006371 9.968857\nSr Mg Te O\n6 1 8 22\ndirect\n0.275700 0.025699 0.094016 Sr\n0.698329 0.966289 0.866973 Sr\n0.875897 0.045850 0.300603 Sr\n0.129327 0.953215 0.666159 Sr\n0.330154 0.578127 0.612141 Sr\n0.672848 0.486376 0.372779 Sr\n0.958501 0.306161 0.558112 Mg\n0.068805 0.349908 0.215114 Te\n0.917065 0.635057 0.779141 Te\n0.042274 0.291005 0.855838 Te\n0.973943 0.727920 0.209449 Te\n0.453717 0.685010 0.029059 Te\n0.548571 0.290836 0.975520 Te\n0.491577 0.833216 0.439935 Te\n0.507702 0.219075 0.559047 Te\n0.987705 0.533373 0.632172 O\n0.004560 0.399733 0.386078 O\n0.419745 0.624927 0.382911 O\n0.547002 0.426611 0.590629 O\n0.828265 0.204461 0.102585 O\n0.160781 0.773968 0.883227 O\n0.679174 0.204686 0.745622 O\n0.273239 0.870341 0.298539 O\n0.412420 0.849668 0.601336 O\n0.673851 0.220201 0.451424 O\n0.073153 0.144980 0.550106 O\n0.950343 0.804920 0.384920 O\n0.491781 0.293224 0.145329 O\n0.521816 0.707959 0.868399 O\n0.543349 0.881762 0.139475 O\n0.435096 0.084827 0.897387 O\n0.934180 0.876175 0.102357 O\n0.026913 0.087031 0.866109 O\n0.197830 0.206893 0.273832 O\n0.801268 0.763357 0.672437 O\n0.681713 0.615367 0.137360 O\n0.319741 0.360363 0.867769 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Te",
"O"
],
"chemical_system": "Mg-O-Sr-Te",
"density": 4.903282063409967,
"density_atomic": 0.056820195660104066,
"volume": 651.1769199341092,
"volume_molar": 10.59859208515258,
"formula_full": "Sr6 Mg1 Te8 O22",
"formula_reduced": "Sr6Mg(Te4O11)2",
"formula_anonymous": "AB6C8D22",
"energy": -227.12945721,
"energy_per_atom": -6.138633978648649,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -212.01545721,
"band_gap": 1.5863,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.127000Z",
"spacegroup": 1
},
{
"id": "mp-1234213",
"created_at": "2022-09-04T14:41:59.383811Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.217920 0.295083 -2.496741\n-2.273179 9.656248 -1.434397\n0.005767 -0.177153 9.472283\nSr Mg Te O\n6 1 8 22\ndirect\n0.289007 0.998064 0.120964 Sr\n0.726089 0.970449 0.908205 Sr\n0.840002 0.060451 0.345911 Sr\n0.163145 0.926708 0.677423 Sr\n0.313928 0.532158 0.612571 Sr\n0.698106 0.461384 0.368583 Sr\n0.191062 0.230324 0.890186 Mg\n0.051121 0.292654 0.190745 Te\n0.955726 0.682574 0.809050 Te\n0.888575 0.294552 0.671347 Te\n0.015737 0.734920 0.241205 Te\n0.504305 0.696194 0.043122 Te\n0.563904 0.304681 0.947378 Te\n0.538277 0.818563 0.477396 Te\n0.420135 0.181578 0.509714 Te\n0.983174 0.589194 0.628380 O\n0.023639 0.404318 0.370860 O\n0.500634 0.626867 0.451211 O\n0.491026 0.369017 0.516711 O\n0.794869 0.193499 0.132491 O\n0.209572 0.786456 0.892598 O\n0.667017 0.193440 0.701411 O\n0.314902 0.828550 0.307902 O\n0.442352 0.860114 0.635279 O\n0.540575 0.116859 0.374482 O\n0.012762 0.135471 0.654387 O\n0.993309 0.859485 0.402905 O\n0.456246 0.346019 0.100029 O\n0.562913 0.681341 0.865755 O\n0.589359 0.890249 0.117587 O\n0.416996 0.117373 0.888681 O\n0.974353 0.844278 0.093501 O\n0.056260 0.138998 0.001208 O\n0.159660 0.161783 0.313233 O\n0.858448 0.830945 0.730400 O\n0.729853 0.638434 0.176752 O\n0.354626 0.359196 0.802663 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Te",
"O"
],
"chemical_system": "Mg-O-Sr-Te",
"density": 4.809675345016567,
"density_atomic": 0.05573546262100283,
"volume": 663.8502357394494,
"volume_molar": 10.804863684276075,
"formula_full": "Sr6 Mg1 Te8 O22",
"formula_reduced": "Sr6Mg(Te4O11)2",
"formula_anonymous": "AB6C8D22",
"energy": -227.33289383,
"energy_per_atom": -6.144132265675675,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -212.21889383,
"band_gap": 2.3169000000000004,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.905000Z",
"spacegroup": 1
},
{
"id": "mp-1234585",
"created_at": "2022-09-04T14:47:55.771781Z",
"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.218683 0.231591 -2.406940\n-2.200700 9.628756 -0.969816\n0.064113 0.325622 9.328849\nSr Mg Te O\n6 1 8 22\ndirect\n0.287243 0.036150 0.112787 Sr\n0.701028 0.932061 0.877741 Sr\n0.843036 0.051764 0.309798 Sr\n0.170659 0.948809 0.700651 Sr\n0.349352 0.550475 0.618625 Sr\n0.704950 0.408547 0.339841 Sr\n0.792129 0.716882 0.480473 Mg\n0.078315 0.340192 0.200066 Te\n0.981938 0.638087 0.795654 Te\n0.972914 0.237218 0.746631 Te\n0.986133 0.744442 0.230287 Te\n0.456647 0.707139 0.066948 Te\n0.500981 0.294813 0.929013 Te\n0.487047 0.866058 0.472451 Te\n0.466962 0.187527 0.522680 Te\n0.922211 0.567468 0.578653 O\n0.084561 0.452861 0.371918 O\n0.514908 0.673172 0.451552 O\n0.536851 0.381493 0.540426 O\n0.820607 0.258520 0.155340 O\n0.212279 0.786949 0.925725 O\n0.685656 0.152769 0.693581 O\n0.278316 0.835370 0.279958 O\n0.411710 0.828571 0.648605 O\n0.572995 0.156402 0.365015 O\n0.991195 0.129196 0.581352 O\n0.993414 0.840268 0.420648 O\n0.430600 0.322247 0.103091 O\n0.542591 0.673381 0.902008 O\n0.560463 0.896373 0.121054 O\n0.443847 0.099877 0.900195 O\n0.939246 0.893947 0.117381 O\n0.023975 0.109361 0.889098 O\n0.169783 0.186721 0.289893 O\n0.881162 0.798972 0.711843 O\n0.721125 0.656410 0.232758 O\n0.274837 0.332362 0.781538 O\n",
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