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{
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"results": [
{
"id": "mp-1048568",
"created_at": "2022-09-04T14:46:26.924956Z",
"structure_string": "Sr4 Y2 Sn4 O14\n1.0\n-2.744427 2.844049 13.849068\n2.744427 -2.844049 13.849068\n2.744427 2.844049 -13.849068\nSr Y Sn O\n4 2 4 14\ndirect\n0.810825 0.724073 0.913777 Sr\n0.189704 0.275927 0.086752 Sr\n0.689704 0.602952 0.913777 Sr\n0.310825 0.397048 0.086752 Sr\n0.517249 0.500000 0.017249 Y\n0.017249 0.000000 0.017249 Y\n0.437111 0.921982 0.520083 Sn\n0.598102 0.078018 0.515130 Sn\n0.098102 0.582972 0.520083 Sn\n0.937111 0.417028 0.515130 Sn\n0.006287 0.512375 0.018663 O\n0.506287 0.487625 0.493912 O\n0.216367 0.198923 0.515942 O\n0.317019 0.801077 0.017444 O\n0.817019 0.799575 0.515942 O\n0.716367 0.200425 0.017444 O\n0.716502 0.698972 0.518732 O\n0.819760 0.301028 0.017530 O\n0.319760 0.302230 0.518732 O\n0.216502 0.697770 0.017530 O\n0.871163 0.353669 0.528344 O\n0.174676 0.646331 0.517495 O\n0.674676 0.157181 0.528344 O\n0.371163 0.842819 0.517495 O\n",
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"elements": [
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],
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"volume": 432.3836834147578,
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"formula_full": "Sr4 Y2 Sn4 O14",
"formula_reduced": "Sr2YSn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -167.24596183,
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"energy_above_hull": null,
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"energy_uncorrected": -157.62796183,
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"updated_at": "2021-11-28T01:37:39.132000Z",
"spacegroup": 46
},
{
"id": "mp-1046305",
"created_at": "2022-09-04T14:45:21.983549Z",
"structure_string": "Sr4 Y2 Ta2 Cu4 O14\n1.0\n11.898865 3.906577 0.000000\n-11.898865 3.906577 0.000000\n0.000000 3.844041 4.025938\nSr Y Ta Cu O\n4 2 2 4 14\ndirect\n0.385982 0.160087 0.982355 Sr\n0.613713 0.835122 0.030614 Sr\n0.835122 0.613713 0.030614 Sr\n0.160087 0.385982 0.982355 Sr\n0.997192 0.499577 0.014308 Y\n0.499577 0.997192 0.014308 Y\n0.829502 0.829502 0.447752 Ta\n0.161535 0.161535 0.528512 Ta\n0.435372 0.054773 0.518575 Cu\n0.054773 0.435372 0.518575 Cu\n0.561203 0.942175 0.511481 Cu\n0.942175 0.561203 0.511481 Cu\n0.188229 0.188229 0.142699 O\n0.907964 0.907964 0.022469 O\n0.670457 0.292610 0.017105 O\n0.329849 0.703217 0.480505 O\n0.703217 0.329849 0.480505 O\n0.292610 0.670457 0.017105 O\n0.202780 0.830679 0.014656 O\n0.790302 0.163208 0.556988 O\n0.163208 0.790302 0.556988 O\n0.830679 0.202780 0.014656 O\n0.745641 0.608546 0.635597 O\n0.221936 0.363474 0.461181 O\n0.363474 0.221936 0.461181 O\n0.608546 0.745641 0.635597 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "Cu-O-Sr-Ta-Y",
"density": 6.0708770146439335,
"density_atomic": 0.06946632819934376,
"volume": 374.2820539670559,
"volume_molar": 8.669150818967411,
"formula_full": "Sr4 Y2 Ta2 Cu4 O14",
"formula_reduced": "Sr2YTaCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -197.1899714,
"energy_per_atom": -7.584229669230769,
"energy_above_hull": null,
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"energy_uncorrected": -187.5719714,
"band_gap": 0.0,
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"total_magnetization": 0.0034063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.648000Z",
"spacegroup": 8
},
{
"id": "mp-12355",
"created_at": "2022-09-04T14:48:09.709200Z",
"structure_string": "Sr4 Y2 Ta2 O12\n1.0\n5.944463 0.000000 0.000000\n0.000000 5.853242 0.000000\n0.000000 5.824609 8.322896\nSr Y Ta O\n4 2 2 12\ndirect\n0.462778 0.258143 0.750594 Sr\n0.962778 0.741857 0.749406 Sr\n0.037222 0.258143 0.250594 Sr\n0.537222 0.741857 0.249406 Sr\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.725696 0.647984 0.545850 O\n0.225696 0.352016 0.954150 O\n0.274304 0.352016 0.454150 O\n0.774304 0.647984 0.045850 O\n0.196563 0.732630 0.541381 O\n0.696563 0.267370 0.958619 O\n0.803437 0.267370 0.458619 O\n0.303437 0.732630 0.041381 O\n0.025302 0.183580 0.734318 O\n0.525302 0.816420 0.765682 O\n0.974698 0.816420 0.265682 O\n0.474698 0.183580 0.234318 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-Sr-Ta-Y",
"density": 6.205333523446949,
"density_atomic": 0.06906315580707108,
"volume": 289.590010277988,
"volume_molar": 8.719759022919451,
"formula_full": "Sr4 Y2 Ta2 O12",
"formula_reduced": "Sr2YTaO6",
"formula_anonymous": "ABC2D6",
"energy": -174.63658761,
"energy_per_atom": -8.731829380499999,
"energy_above_hull": null,
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"energy_uncorrected": -166.39258761000002,
"band_gap": 3.8491,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018589,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.829000Z",
"spacegroup": 14
},
{
"id": "mp-1046088",
"created_at": "2022-09-04T14:48:15.536498Z",
"structure_string": "Sr4 Y2 Ti2 Cu4 O14\n1.0\n5.387682 0.001514 -1.239626\n-0.294953 5.503363 -1.281196\n0.002323 -0.047628 12.271462\nSr Y Ti Cu O\n4 2 2 4 14\ndirect\n0.355448 0.334187 0.718970 Sr\n0.635418 0.667090 0.282398 Sr\n0.855902 0.885584 0.719010 Sr\n0.136052 0.116092 0.282162 Sr\n0.986939 0.000830 0.000616 Y\n0.486753 0.500434 0.000698 Y\n0.283901 0.675170 0.500364 Ti\n0.783638 0.325402 0.500658 Ti\n0.925154 0.442805 0.877194 Cu\n0.048495 0.558965 0.124041 Cu\n0.425413 0.936120 0.877361 Cu\n0.548725 0.065342 0.123924 Cu\n0.127022 0.375175 0.500797 O\n0.627911 0.626503 0.501570 O\n0.182598 0.197842 0.874503 O\n0.308144 0.804319 0.126626 O\n0.682840 0.178780 0.875116 O\n0.808133 0.822580 0.126440 O\n0.661237 0.675362 0.869814 O\n0.792593 0.325868 0.131606 O\n0.161507 0.696393 0.870398 O\n0.292212 0.305747 0.130493 O\n0.262327 0.881404 0.631027 O\n0.633980 0.121742 0.369717 O\n0.764031 0.250848 0.631808 O\n0.136934 0.748166 0.369072 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "Cu-O-Sr-Ti-Y",
"density": 5.034675811596611,
"density_atomic": 0.07152120825396188,
"volume": 363.5285341891542,
"volume_molar": 8.420076935244458,
"formula_full": "Sr4 Y2 Ti2 Cu4 O14",
"formula_reduced": "Sr2YTiCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -192.4560125,
"energy_per_atom": -7.402154326923077,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -182.8380125,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:40:08.091000Z",
"spacegroup": 46
},
{
"id": "mp-1048068",
"created_at": "2022-09-04T14:47:01.715599Z",
"structure_string": "Sr4 Y2 Ti4 Al2 O14\n1.0\n-2.758166 2.829991 11.466352\n2.758166 -2.829991 11.466352\n2.758166 2.829991 -11.466352\nSr Y Ti Al O\n4 2 4 2 14\ndirect\n0.819233 0.831077 0.964051 Sr\n0.180767 0.144818 0.011843 Sr\n0.632974 0.644818 0.964051 Sr\n0.367026 0.331077 0.011843 Sr\n0.500000 0.481885 0.981885 Y\n0.000000 0.981885 0.981885 Y\n0.938631 0.420069 0.482742 Ti\n0.061369 0.544111 0.481438 Ti\n0.562673 0.044111 0.482742 Ti\n0.437327 0.920069 0.481438 Ti\n0.177043 0.755388 0.432431 Al\n0.822957 0.255388 0.578345 Al\n0.909251 0.573233 0.982484 O\n0.090749 0.073233 0.663982 O\n0.687993 0.669778 0.492894 O\n0.312007 0.804902 0.981785 O\n0.323117 0.304902 0.492894 O\n0.676883 0.169778 0.981785 O\n0.176391 0.158057 0.473595 O\n0.823609 0.297204 0.981667 O\n0.815538 0.797204 0.473595 O\n0.184462 0.658057 0.981667 O\n0.378291 0.767956 0.509814 O\n0.621709 0.131523 0.389665 O\n0.241858 0.631523 0.509814 O\n0.758142 0.267956 0.389665 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Y",
"Ti",
"Al",
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],
"chemical_system": "Al-O-Sr-Ti-Y",
"density": 4.6276937626979455,
"density_atomic": 0.07262441244412575,
"volume": 358.00633870881,
"volume_molar": 8.292171402602655,
"formula_full": "Sr4 Y2 Ti4 Al2 O14",
"formula_reduced": "Sr2YTi2AlO7",
"formula_anonymous": "ABC2D2E7",
"energy": -212.46567661999995,
"energy_per_atom": -8.171756793076922,
"energy_above_hull": null,
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"energy_uncorrected": -202.84767662,
"band_gap": 0.0,
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"total_magnetization": 0.0142802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.315000Z",
"spacegroup": 46
},
{
"id": "mp-1048031",
"created_at": "2022-09-04T14:45:23.402173Z",
"structure_string": "Sr4 Y2 Ti4 Ga2 O14\n1.0\n-2.762362 2.818040 11.658888\n2.762362 -2.818040 11.658888\n2.762362 2.818040 -11.658888\nSr Y Ti Ga O\n4 2 4 2 14\ndirect\n0.369111 0.838617 0.517162 Sr\n0.630889 0.148051 0.469507 Sr\n0.821456 0.338617 0.469507 Sr\n0.178544 0.648051 0.517162 Sr\n0.000000 0.501268 0.501268 Y\n0.500000 0.001268 0.501268 Y\n0.560958 0.560999 0.001025 Ti\n0.940027 0.940068 0.001025 Ti\n0.059973 0.060999 0.000041 Ti\n0.439042 0.440068 0.000041 Ti\n0.820034 0.712249 0.032283 Ga\n0.179966 0.212249 0.892215 Ga\n0.685481 0.681829 0.500700 O\n0.874322 0.365582 0.739904 O\n0.681130 0.181829 0.996348 O\n0.224661 0.201305 0.071876 O\n0.815625 0.821164 0.501103 O\n0.820060 0.321164 0.005539 O\n0.125678 0.865582 0.491260 O\n0.318870 0.315219 0.500700 O\n0.314519 0.815219 0.996348 O\n0.629429 0.701305 0.976644 O\n0.775339 0.847215 0.976644 O\n0.370571 0.347215 0.071876 O\n0.184375 0.685478 0.005539 O\n0.179940 0.185478 0.501103 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Ga-O-Sr-Ti-Y",
"density": 4.954636529046284,
"density_atomic": 0.07161903779436209,
"volume": 363.03196469426376,
"volume_molar": 8.40857535295464,
"formula_full": "Sr4 Y2 Ti4 Ga2 O14",
"formula_reduced": "Sr2YTi2GaO7",
"formula_anonymous": "ABC2D2E7",
"energy": -205.60220369,
"energy_per_atom": -7.907777065,
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"updated_at": "2021-11-28T01:37:05.849000Z",
"spacegroup": 46
},
{
"id": "mp-1048233",
"created_at": "2022-09-04T14:39:23.976052Z",
"structure_string": "Sr4 Y2 Ti4 O14\n1.0\n-2.637675 2.752274 12.807230\n2.637675 -2.752274 12.807230\n2.637675 2.752274 -12.807230\nSr Y Ti O\n4 2 4 14\ndirect\n0.821226 0.747293 0.936709 Sr\n0.189416 0.252707 0.073933 Sr\n0.689416 0.615483 0.936709 Sr\n0.321226 0.384517 0.073933 Sr\n0.516274 0.500000 0.016274 Y\n0.016274 0.000000 0.016274 Y\n0.438598 0.927946 0.522575 Ti\n0.594629 0.072054 0.510653 Ti\n0.094629 0.583976 0.522575 Ti\n0.938598 0.416024 0.510653 Ti\n0.009815 0.515338 0.025154 O\n0.509815 0.484662 0.494477 O\n0.211998 0.195284 0.515996 O\n0.320712 0.804716 0.016714 O\n0.820712 0.803999 0.515996 O\n0.711998 0.196001 0.016714 O\n0.707254 0.690561 0.517233 O\n0.826672 0.309439 0.016693 O\n0.326672 0.309979 0.517233 O\n0.207254 0.690021 0.016693 O\n0.871374 0.333138 0.499936 O\n0.166798 0.666862 0.538236 O\n0.666798 0.128562 0.499936 O\n0.371374 0.871438 0.538236 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "O-Sr-Ti-Y",
"density": 4.21384454217042,
"density_atomic": 0.06453318364482902,
"volume": 371.90168909205977,
"volume_molar": 9.331851335808919,
"formula_full": "Sr4 Y2 Ti4 O14",
"formula_reduced": "Sr2YTi2O7",
"formula_anonymous": "AB2C2D7",
"energy": -200.98794089,
"energy_per_atom": -8.374497537083334,
"energy_above_hull": null,
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"energy_uncorrected": -191.36994089,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.063000Z",
"spacegroup": 46
},
{
"id": "mp-1360171",
"created_at": "2022-09-04T14:39:06.664780Z",
"structure_string": "Sr4 Y2 V2 Cu4 O14\n1.0\n-2.791870 2.828541 11.996219\n2.791870 -2.828541 11.996219\n2.791870 2.828541 -11.996219\nSr Y V Cu O\n4 2 2 4 14\ndirect\n0.163976 0.655044 0.531374 Sr\n0.836024 0.367398 0.491068 Sr\n0.623670 0.155044 0.491068 Sr\n0.376330 0.867398 0.531374 Sr\n0.500000 0.015524 0.515524 Y\n0.000000 0.515524 0.515524 Y\n0.826584 0.718645 0.045228 V\n0.173416 0.218645 0.892061 V\n0.065121 0.080360 0.013206 Cu\n0.934879 0.948085 0.015240 Cu\n0.567154 0.580360 0.015240 Cu\n0.432846 0.448085 0.013206 Cu\n0.128078 0.872760 0.500838 O\n0.871922 0.372760 0.744682 O\n0.308839 0.822336 0.005185 O\n0.691161 0.696347 0.513497 O\n0.317151 0.322336 0.513497 O\n0.682849 0.196347 0.005185 O\n0.818888 0.332549 0.022915 O\n0.181112 0.204027 0.513661 O\n0.809634 0.832549 0.513661 O\n0.190366 0.704027 0.022915 O\n0.642433 0.718776 0.997610 O\n0.357567 0.355178 0.076343 O\n0.221165 0.218776 0.076343 O\n0.778835 0.855178 0.997610 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Cu-O-Sr-V-Y",
"density": 4.856955153734498,
"density_atomic": 0.06861377290947791,
"volume": 378.93266756080845,
"volume_molar": 8.776868702359517,
"formula_full": "Sr4 Y2 V2 Cu4 O14",
"formula_reduced": "Sr2YVCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -188.51623202,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:23.560000Z",
"spacegroup": 46
},
{
"id": "mp-1046616",
"created_at": "2022-09-04T14:40:36.587566Z",
"structure_string": "Sr4 Y2 V4 Ga2 O14\n1.0\n2.787854 11.796772 0.000000\n-2.787854 11.796772 0.000000\n0.000000 1.367305 5.523097\nSr Y V Ga O\n4 2 4 2 14\ndirect\n0.836478 0.855513 0.633857 Sr\n0.144487 0.163522 0.366143 Sr\n0.338719 0.353448 0.178514 Sr\n0.646552 0.661281 0.821486 Sr\n0.501095 0.498905 0.000000 Y\n0.002244 0.997756 0.500000 Y\n0.569499 0.568623 0.432842 V\n0.929759 0.929541 0.072016 V\n0.070459 0.070241 0.927984 V\n0.431377 0.430501 0.567158 V\n0.711544 0.789021 0.182368 Ga\n0.210979 0.288456 0.817632 Ga\n0.676443 0.190519 0.311182 O\n0.368231 0.130937 0.126395 O\n0.175645 0.690804 0.326620 O\n0.193598 0.153345 0.787072 O\n0.826319 0.313150 0.189445 O\n0.326153 0.813312 0.176797 O\n0.869063 0.631769 0.873605 O\n0.309196 0.824355 0.673380 O\n0.809481 0.323557 0.688818 O\n0.702550 0.650119 0.377042 O\n0.846655 0.806402 0.212928 O\n0.349881 0.297450 0.622958 O\n0.686850 0.173681 0.810555 O\n0.186688 0.673847 0.823203 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Ga-O-Sr-V-Y",
"density": 5.007416753760336,
"density_atomic": 0.07156941542188719,
"volume": 363.2836714780367,
"volume_molar": 8.414405405578208,
"formula_full": "Sr4 Y2 V4 Ga2 O14",
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{
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"formula_full": "Sr4 Y2 W4 O14",
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{
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"structure_string": "Sr4 Y4 Co4 O14\n1.0\n-2.767293 2.807349 12.052409\n2.767293 -2.807349 12.052409\n2.767293 2.807349 -12.052409\nSr Y Co O\n4 4 4 14\ndirect\n0.338503 0.840146 0.459196 Sr\n0.661497 0.120693 0.501643 Sr\n0.119050 0.620693 0.459196 Sr\n0.880950 0.340146 0.501643 Sr\n0.000000 0.470461 0.470461 Y\n0.500000 0.970461 0.470461 Y\n0.703515 0.768188 0.971703 Y\n0.296485 0.268188 0.064673 Y\n0.428070 0.395801 0.974595 Co\n0.571930 0.546525 0.967731 Co\n0.078794 0.046525 0.974595 Co\n0.921206 0.895801 0.967731 Co\n0.324821 0.668324 0.493145 O\n0.675179 0.168324 0.343504 O\n0.201290 0.668002 0.987892 O\n0.798710 0.786602 0.466712 O\n0.819890 0.286602 0.987892 O\n0.180110 0.168002 0.466712 O\n0.678963 0.147932 0.950269 O\n0.321037 0.271305 0.468969 O\n0.302337 0.771305 0.950269 O\n0.697663 0.647932 0.468969 O\n0.876211 0.783799 0.988437 O\n0.123789 0.112226 0.907588 O\n0.704638 0.612226 0.988437 O\n0.295362 0.283799 0.907588 O\n",
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]
}