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{
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"results": [
{
"id": "mp-1218381",
"created_at": "2022-09-04T14:41:08.327011Z",
"structure_string": "Sr8 Ti4 Mn4 O24\n1.0\n-3.914875 3.889182 3.889180\n-3.914874 -3.889180 -3.889181\n-3.914871 -7.778416 7.778416\nSr Ti Mn O\n8 4 4 24\ndirect\n0.749994 0.249994 0.500012 Sr\n0.500006 0.000006 0.999988 Sr\n0.249994 0.749994 0.500012 Sr\n0.000006 0.500006 0.999988 Sr\n0.375004 0.375004 0.749998 Sr\n0.124997 0.124996 0.250002 Sr\n0.875004 0.875004 0.749998 Sr\n0.624995 0.624995 0.250001 Sr\n0.875000 0.375000 0.750000 Ti\n0.625012 0.124988 0.250000 Ti\n0.375000 0.875000 0.750000 Ti\n0.124989 0.625012 0.250000 Ti\n0.500035 0.500034 0.999930 Mn\n0.249963 0.249965 0.500072 Mn\n0.749962 0.749959 0.500078 Mn\n0.000037 0.000041 0.999920 Mn\n0.499972 0.499972 0.499990 O\n0.250029 0.250029 0.000010 O\n0.000038 0.000038 0.499990 O\n0.749962 0.749962 0.000010 O\n0.624992 0.124992 0.750001 O\n0.375008 0.875008 0.249999 O\n0.124992 0.624992 0.750001 O\n0.875008 0.375008 0.250000 O\n0.811809 0.564601 0.623589 O\n0.561792 0.314600 0.123611 O\n0.311801 0.064629 0.623571 O\n0.061802 0.814574 0.123627 O\n0.938194 0.185393 0.876411 O\n0.688196 0.935432 0.376373 O\n0.438202 0.685365 0.876430 O\n0.188206 0.435406 0.376389 O\n0.685365 0.438202 0.876430 O\n0.435406 0.188206 0.376389 O\n0.185393 0.938194 0.876410 O\n0.935432 0.688196 0.376373 O\n0.064628 0.311800 0.623571 O\n0.814574 0.061802 0.123627 O\n0.564601 0.811808 0.623589 O\n0.314601 0.561792 0.123611 O\n",
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"formula_full": "Sr8 Ti4 Mn4 O24",
"formula_reduced": "Sr2TiMnO6",
"formula_anonymous": "ABC2D6",
"energy": -321.25588927,
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"updated_at": "2021-11-28T01:35:20.685000Z",
"spacegroup": 123
},
{
"id": "mp-559957",
"created_at": "2022-09-04T14:42:25.663159Z",
"structure_string": "Sr4 Ti4 Ge4 O20\n1.0\n9.166860 0.000000 0.000000\n0.000000 6.896233 0.000000\n0.000000 2.984853 6.715300\nSr Ti Ge O\n4 4 4 20\ndirect\n0.921630 0.250030 0.257493 Sr\n0.578370 0.250030 0.757493 Sr\n0.078370 0.749970 0.742507 Sr\n0.421630 0.749970 0.242507 Sr\n0.245871 0.253291 0.014295 Ti\n0.254129 0.253291 0.514295 Ti\n0.745871 0.746709 0.485705 Ti\n0.754129 0.746709 0.985705 Ti\n0.563581 0.247454 0.253611 Ge\n0.436419 0.752546 0.746389 Ge\n0.063581 0.752546 0.246389 Ge\n0.936419 0.247454 0.753611 Ge\n0.814710 0.440561 0.588315 O\n0.542244 0.652521 0.600765 O\n0.314710 0.559439 0.911685 O\n0.683950 0.049987 0.415673 O\n0.183950 0.950013 0.084327 O\n0.308315 0.255094 0.748030 O\n0.808315 0.744906 0.751970 O\n0.042244 0.347479 0.899235 O\n0.957756 0.652521 0.100765 O\n0.185290 0.559439 0.411685 O\n0.191685 0.255094 0.248030 O\n0.454049 0.153553 0.105892 O\n0.816050 0.049987 0.915673 O\n0.954049 0.846447 0.394108 O\n0.457756 0.347479 0.399235 O\n0.691685 0.744906 0.251970 O\n0.045951 0.153553 0.605892 O\n0.316050 0.950013 0.584327 O\n0.545951 0.846447 0.894108 O\n0.685290 0.440561 0.088315 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ge-O-Sr-Ti",
"density": 4.508069262701845,
"density_atomic": 0.07537928854299338,
"volume": 424.51979341445315,
"volume_molar": 7.989118597962369,
"formula_full": "Sr4 Ti4 Ge4 O20",
"formula_reduced": "SrTiGeO5",
"formula_anonymous": "ABCD5",
"energy": -253.21643829,
"energy_per_atom": -7.9130136965625,
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"updated_at": "2021-11-28T01:35:46.782000Z",
"spacegroup": 14
},
{
"id": "mp-1048055",
"created_at": "2022-09-04T14:43:17.200005Z",
"structure_string": "Sr4 Ti4 Ga2 O14\n1.0\n10.914362 3.954040 0.000000\n-10.914362 3.954040 0.000000\n0.000000 3.881866 4.021110\nSr Ti Ga O\n4 4 2 14\ndirect\n0.163743 0.369348 0.978064 Sr\n0.839803 0.633813 0.007439 Sr\n0.633813 0.839803 0.007439 Sr\n0.369348 0.163743 0.978064 Sr\n0.934102 0.584879 0.470945 Ti\n0.584879 0.934102 0.470945 Ti\n0.432476 0.081936 0.473403 Ti\n0.081936 0.432476 0.473403 Ti\n0.827722 0.827722 0.381927 Ga\n0.171132 0.171132 0.540345 Ga\n0.327457 0.683212 0.505967 O\n0.880521 0.880521 0.993623 O\n0.308727 0.664543 0.026353 O\n0.370548 0.214809 0.481892 O\n0.173117 0.833384 0.507243 O\n0.162575 0.823214 0.019426 O\n0.121175 0.121175 0.253339 O\n0.683212 0.327457 0.505967 O\n0.664543 0.308727 0.026353 O\n0.783980 0.628714 0.566164 O\n0.628714 0.783980 0.566164 O\n0.214809 0.370548 0.481892 O\n0.823214 0.162575 0.019426 O\n0.833384 0.173117 0.507243 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ga-O-Sr-Ti",
"density": 4.331789242909931,
"density_atomic": 0.06915058840557417,
"volume": 347.06863026584716,
"volume_molar": 8.708733936838867,
"formula_full": "Sr4 Ti4 Ga2 O14",
"formula_reduced": "Sr2Ti2GaO7",
"formula_anonymous": "AB2C2D7",
"energy": -185.37363455,
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"updated_at": "2021-11-28T01:36:09.282000Z",
"spacegroup": 8
},
{
"id": "mp-1218603",
"created_at": "2022-09-04T14:40:40.553765Z",
"structure_string": "Sr3 Ti1 Ga10 O20\n1.0\n5.912598 7.857277 0.000000\n-5.912598 7.857277 0.000000\n0.000000 1.651610 4.882295\nSr Ti Ga O\n3 1 10 20\ndirect\n0.277580 0.277580 0.713294 Sr\n0.722420 0.722420 0.286706 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Ti\n0.007299 0.278108 0.345793 Ga\n0.278108 0.007299 0.345793 Ga\n0.992701 0.721892 0.654207 Ga\n0.721892 0.992701 0.654207 Ga\n0.635035 0.364965 0.500000 Ga\n0.364965 0.635035 0.500000 Ga\n0.856628 0.423029 0.834130 Ga\n0.423029 0.856628 0.834130 Ga\n0.143372 0.576971 0.165870 Ga\n0.576971 0.143372 0.165870 Ga\n0.906538 0.906538 0.496196 O\n0.093462 0.093462 0.503804 O\n0.307530 0.542900 0.892943 O\n0.542900 0.307530 0.892943 O\n0.692470 0.457100 0.107057 O\n0.457100 0.692470 0.107057 O\n0.828160 0.333587 0.574961 O\n0.333587 0.828160 0.574961 O\n0.171840 0.666413 0.425039 O\n0.666413 0.171840 0.425039 O\n0.605378 0.875382 0.651024 O\n0.875382 0.605378 0.651024 O\n0.394622 0.124618 0.348976 O\n0.124618 0.394622 0.348976 O\n0.566639 0.566639 0.611102 O\n0.433361 0.433361 0.388898 O\n0.002014 0.280674 0.985417 O\n0.280674 0.002014 0.985417 O\n0.997986 0.719326 0.014583 O\n0.719326 0.997986 0.014583 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ga-O-Sr-Ti",
"density": 4.860990325493532,
"density_atomic": 0.07495049203318238,
"volume": 453.63277915437016,
"volume_molar": 8.034824851228267,
"formula_full": "Sr3 Ti1 Ga10 O20",
"formula_reduced": "Sr3Ti(GaO2)10",
"formula_anonymous": "AB3C10D20",
"energy": -230.74096661,
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"spacegroup": 12
},
{
"id": "mp-1208750",
"created_at": "2022-09-04T14:41:55.818473Z",
"structure_string": "Sr3 Ti3 Ga8 O20\n1.0\n5.906650 7.898068 0.000000\n-5.906650 7.898068 0.000000\n0.000000 1.655418 4.900673\nSr Ti Ga O\n3 3 8 20\ndirect\n0.225228 0.225228 0.284868 Sr\n0.774772 0.774772 0.715132 Sr\n0.500000 0.500000 0.000000 Sr\n0.126777 0.873223 0.500000 Ti\n0.873223 0.126777 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.358597 0.923451 0.832404 Ga\n0.641403 0.076549 0.167596 Ga\n0.076549 0.641403 0.167596 Ga\n0.923451 0.358597 0.832404 Ga\n0.491948 0.221588 0.653508 Ga\n0.508052 0.778412 0.346492 Ga\n0.778412 0.508052 0.346492 Ga\n0.221588 0.491948 0.653508 Ga\n0.502706 0.780777 0.987229 O\n0.497294 0.219223 0.012771 O\n0.219223 0.497294 0.012771 O\n0.780777 0.502706 0.987229 O\n0.375281 0.105595 0.650153 O\n0.624719 0.894405 0.349847 O\n0.894405 0.624719 0.349847 O\n0.105595 0.375281 0.650153 O\n0.069946 0.069946 0.600260 O\n0.930054 0.930054 0.399740 O\n0.671057 0.165708 0.425200 O\n0.328943 0.834292 0.574800 O\n0.834292 0.328943 0.574800 O\n0.165708 0.671057 0.425200 O\n0.195233 0.956701 0.107683 O\n0.804767 0.043299 0.892317 O\n0.043299 0.804767 0.892317 O\n0.956701 0.195233 0.107683 O\n0.406288 0.406288 0.495455 O\n0.593712 0.593712 0.504545 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Ga-O-Sr-Ti",
"density": 4.663855608810237,
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"volume": 457.2438012635921,
"volume_molar": 8.098783920137699,
"formula_full": "Sr3 Ti3 Ga8 O20",
"formula_reduced": "Sr3Ti3(Ga2O5)4",
"formula_anonymous": "A3B3C8D20",
"energy": -245.73399515,
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"updated_at": "2021-11-28T01:35:30.413000Z",
"spacegroup": 12
},
{
"id": "mp-1218692",
"created_at": "2022-09-04T14:47:01.988814Z",
"structure_string": "Sr8 Ti4 Fe4 O24\n1.0\n3.936774 0.000001 -0.000194\n0.000003 15.747564 0.000008\n-0.000387 0.000004 7.839875\nSr Ti Fe O\n8 4 4 24\ndirect\n0.500005 0.125021 0.255405 Sr\n0.500005 0.374999 0.255096 Sr\n0.500002 0.624982 0.255404 Sr\n0.500004 0.874999 0.255119 Sr\n0.499996 0.125021 0.744594 Sr\n0.499996 0.374999 0.744903 Sr\n0.499996 0.624981 0.744595 Sr\n0.499998 0.874998 0.744881 Sr\n0.000001 0.999861 0.000001 Ti\n0.000000 0.250140 0.000000 Ti\n0.000002 0.499860 0.000000 Ti\n0.000000 0.750139 0.999999 Ti\n0.000001 0.249456 0.499999 Fe\n0.999999 0.500545 0.500001 Fe\n0.000001 0.000553 0.500001 Fe\n0.000000 0.749446 0.500001 Fe\n0.000016 0.999887 0.249869 O\n0.000017 0.250113 0.249867 O\n0.000016 0.499887 0.249866 O\n0.000020 0.750113 0.249872 O\n0.999985 0.999888 0.750132 O\n0.999981 0.250113 0.750131 O\n0.999985 0.499886 0.750132 O\n0.999984 0.750113 0.750130 O\n0.000000 0.125000 0.000000 O\n0.999998 0.375002 0.000001 O\n0.999997 0.624999 0.000001 O\n0.999999 0.875000 0.000000 O\n0.500001 0.999983 0.000000 O\n0.499999 0.250015 0.000000 O\n0.499998 0.499986 0.000000 O\n0.500000 0.750016 0.999999 O\n0.999999 0.125006 0.500000 O\n0.000000 0.375001 0.500000 O\n0.000001 0.624995 0.500000 O\n0.999999 0.874999 0.500000 O\n0.500001 0.999641 0.500002 O\n0.499999 0.250362 0.500001 O\n0.500001 0.499636 0.500001 O\n0.499998 0.750360 0.499999 O\n",
"nsites": 40,
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"elements": [
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],
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"density_atomic": 0.08229946049615779,
"volume": 486.0299175578123,
"volume_molar": 7.317351442760854,
"formula_full": "Sr8 Ti4 Fe4 O24",
"formula_reduced": "Sr2TiFeO6",
"formula_anonymous": "ABC2D6",
"energy": -312.97411945,
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"updated_at": "2021-11-28T01:37:47.584000Z",
"spacegroup": 123
},
{
"id": "mp-1645141",
"created_at": "2022-09-04T14:41:17.222429Z",
"structure_string": "Sr12 Ti6 Fe2 O28\n1.0\n3.933349 0.000035 0.000004\n-0.000016 -3.942472 20.416198\n-0.000070 -7.883710 0.000237\nSr Ti Fe O\n12 6 2 28\ndirect\n0.499990 0.185258 0.157362 Sr\n0.500002 0.185487 0.657258 Sr\n0.000009 0.683556 0.159166 Sr\n0.999997 0.683558 0.657284 Sr\n0.999999 0.318143 0.341256 Sr\n0.000013 0.318134 0.840582 Sr\n0.499999 0.815649 0.842175 Sr\n0.500007 0.815519 0.342236 Sr\n0.500002 0.000270 0.249856 Sr\n0.500005 0.000283 0.749850 Sr\n0.000001 0.497017 0.250844 Sr\n0.999998 0.497012 0.752177 Sr\n0.000001 0.902203 0.048878 Ti\n0.999998 0.902202 0.548926 Ti\n0.999999 0.098511 0.450671 Ti\n0.999997 0.098508 0.950792 Ti\n0.500000 0.597428 0.951310 Ti\n0.500000 0.596723 0.451667 Ti\n0.500011 0.402623 0.048706 Fe\n0.499987 0.402421 0.548781 Fe\n0.500001 0.307026 0.096456 O\n0.500005 0.306253 0.596852 O\n0.000001 0.805584 0.096932 O\n0.999997 0.805584 0.597389 O\n0.999997 0.194512 0.402110 O\n0.999998 0.194513 0.903459 O\n0.500002 0.693020 0.903502 O\n0.499997 0.693381 0.403331 O\n0.999999 0.000024 0.000003 O\n0.999994 0.000023 0.499984 O\n0.500004 0.498721 0.000600 O\n0.500008 0.499385 0.500319 O\n0.000000 0.403901 0.048012 O\n0.999997 0.404106 0.547904 O\n0.499941 0.404272 0.290919 O\n0.500053 0.404308 0.804762 O\n0.500002 0.903417 0.048150 O\n0.500001 0.903416 0.548308 O\n0.000005 0.903445 0.798226 O\n0.000003 0.903426 0.298236 O\n0.499998 0.096757 0.451468 O\n0.499999 0.096756 0.951892 O\n0.999999 0.096727 0.201688 O\n0.000001 0.096791 0.701654 O\n0.999999 0.595887 0.952096 O\n0.999998 0.596264 0.451907 O\n0.499995 0.595999 0.201791 O\n0.499993 0.595996 0.702277 O\n",
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"elements": [
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"volume": 633.0900247793802,
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"formula_full": "Sr12 Ti6 Fe2 O28",
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"spacegroup": 38
},
{
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