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{
"id": "mp-1218688",
"created_at": "2022-09-04T14:43:59.454617Z",
"structure_string": "Sr4 Ti2 Mn2 O12\n1.0\n3.933138 -0.000027 -0.000011\n0.000006 -3.902605 7.779704\n0.000054 -7.805168 0.000021\nSr Ti Mn O\n4 2 2 12\ndirect\n0.500001 0.255336 0.122315 Sr\n0.500000 0.255334 0.622331 Sr\n0.500000 0.744665 0.877669 Sr\n0.499999 0.744665 0.377683 Sr\n0.000000 0.000001 0.499998 Ti\n0.000000 0.999995 0.000002 Ti\n0.000005 0.500002 0.250003 Mn\n0.999995 0.500000 0.750002 Mn\n0.000000 0.253694 0.373179 O\n0.999999 0.253687 0.873181 O\n0.000001 0.746305 0.126822 O\n0.000000 0.746313 0.626818 O\n0.000000 0.000001 0.250000 O\n0.000000 0.000001 0.749999 O\n0.500000 0.999999 0.500000 O\n0.500000 0.000002 0.999998 O\n0.000000 0.499999 0.000005 O\n0.000000 0.500000 0.499994 O\n0.500000 0.500000 0.250000 O\n0.500000 0.500000 0.749999 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mn-O-Sr-Ti",
"density": 5.201335791050051,
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"volume": 238.82727703093545,
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"formula_full": "Sr4 Ti2 Mn2 O12",
"formula_reduced": "Sr2TiMnO6",
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"updated_at": "2021-11-28T01:36:21.542000Z",
"spacegroup": 123
},
{
"id": "mp-1218686",
"created_at": "2022-09-04T14:40:51.997865Z",
"structure_string": "Sr4 Ti2 Mn2 O12\n1.0\n3.893268 0.000000 3.893268\n0.000000 3.893268 3.893268\n-3.893268 -3.893268 7.786536\nSr Ti Mn O\n4 2 2 12\ndirect\n0.625000 0.625000 0.125000 Sr\n0.125000 0.125000 0.625000 Sr\n0.875000 0.875000 0.375000 Sr\n0.375000 0.375000 0.875000 Sr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.373730 0.373730 0.373730 O\n0.873730 0.873730 0.873730 O\n0.126270 0.126270 0.126270 O\n0.626270 0.626270 0.626270 O\n0.126270 0.621190 0.126270 O\n0.626270 0.121190 0.626270 O\n0.373730 0.878810 0.373730 O\n0.873730 0.378810 0.873730 O\n0.621190 0.126270 0.126270 O\n0.121190 0.626270 0.626270 O\n0.878810 0.373730 0.373730 O\n0.378810 0.873730 0.873730 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Mn-O-Sr-Ti",
"density": 5.262546270601034,
"density_atomic": 0.08472802902503086,
"volume": 236.04939510739095,
"volume_molar": 7.1076134182478174,
"formula_full": "Sr4 Ti2 Mn2 O12",
"formula_reduced": "Sr2TiMnO6",
"formula_anonymous": "ABC2D6",
"energy": -160.81819423000002,
"energy_per_atom": -8.040909711500001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -149.23819423,
"band_gap": 0.9951999999999996,
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"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.517000Z",
"spacegroup": 225
},
{
"id": "mp-1206645",
"created_at": "2022-09-04T14:45:54.401707Z",
"structure_string": "Sr4 Ti2 Mn2 O12\n1.0\n-5.507377 0.000000 0.000000\n2.753689 -8.261066 -3.895863\n2.753689 -2.753689 3.895863\nSr Ti Mn O\n4 2 2 12\ndirect\n0.375000 0.125000 0.625000 Sr\n0.875000 0.625000 0.125000 Sr\n0.125000 0.375000 0.875000 Sr\n0.625000 0.875000 0.375000 Sr\n0.750000 0.250000 0.250000 Ti\n0.250000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.623710 0.376290 0.871131 O\n0.123710 0.876290 0.371131 O\n0.876290 0.123710 0.628869 O\n0.376290 0.623710 0.128869 O\n0.132360 0.372727 0.372727 O\n0.632360 0.872727 0.872727 O\n0.367640 0.127273 0.127273 O\n0.867640 0.627273 0.627273 O\n0.634362 0.379816 0.379816 O\n0.134362 0.879816 0.879816 O\n0.865638 0.120184 0.120184 O\n0.365638 0.620184 0.620184 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Mn-O-Sr-Ti",
"density": 5.256243726183258,
"density_atomic": 0.08462655682148101,
"volume": 236.33243217244234,
"volume_molar": 7.116135863478002,
"formula_full": "Sr4 Ti2 Mn2 O12",
"formula_reduced": "Sr2TiMnO6",
"formula_anonymous": "ABC2D6",
"energy": -160.81870654000002,
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"energy_uncorrected": -149.23870654,
"band_gap": 0.9884,
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"is_magnetic": true,
"total_magnetization": 5.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.948000Z",
"spacegroup": 87
},
{
"id": "mp-1218529",
"created_at": "2022-09-04T14:48:14.196615Z",
"structure_string": "Sr4 Ti2 P4 O18\n1.0\n-6.178995 0.000000 2.966074\n0.013053 0.000000 -7.130241\n-3.082971 -8.006075 -2.082083\nSr Ti P O\n4 2 4 18\ndirect\n0.207015 0.956369 0.086244 Sr\n0.793259 0.042614 0.913756 Sr\n0.626589 0.376567 0.247947 Sr\n0.374536 0.624514 0.752053 Sr\n0.002378 0.984049 0.493824 Ti\n0.996202 0.477873 0.506176 Ti\n0.827162 0.576729 0.845578 P\n0.172740 0.422307 0.154422 P\n0.586817 0.836708 0.325838 P\n0.412655 0.162546 0.674162 P\n0.042828 0.795794 0.413210 O\n0.956039 0.209005 0.586790 O\n0.020070 0.482727 0.272578 O\n0.208769 0.244709 0.271240 O\n0.980009 0.515949 0.728760 O\n0.792648 0.755305 0.727422 O\n0.401854 0.640449 0.047512 O\n0.050357 0.312076 0.047268 O\n0.597625 0.359344 0.952732 O\n0.949366 0.687961 0.952488 O\n0.347947 0.621515 0.445960 O\n0.707779 0.931947 0.445660 O\n0.653439 0.377607 0.554340 O\n0.293907 0.067475 0.554040 O\n0.743475 0.781814 0.214027 O\n0.541934 0.003720 0.214565 O\n0.256500 0.218285 0.785435 O\n0.457502 0.995841 0.785973 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"P",
"O"
],
"chemical_system": "O-P-Sr-Ti",
"density": 4.04320921136298,
"density_atomic": 0.07945077403751842,
"volume": 352.4194740604765,
"volume_molar": 7.579713140561994,
"formula_full": "Sr4 Ti2 P4 O18",
"formula_reduced": "Sr2TiP2O9",
"formula_anonymous": "AB2C2D9",
"energy": -225.22581451,
"energy_per_atom": -8.043779089642857,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -212.85981451,
"band_gap": 2.8073,
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"total_magnetization": 0.0015137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.455000Z",
"spacegroup": 9
},
{
"id": "mp-1192641",
"created_at": "2022-09-04T14:45:55.492494Z",
"structure_string": "Sr4 Ti2 Si4 O16\n1.0\n8.488218 0.000000 0.000000\n0.000000 8.488218 0.000000\n0.000000 0.000000 5.108699\nSr Ti Si O\n4 2 4 16\ndirect\n0.173354 0.673354 0.997883 Sr\n0.826646 0.326646 0.997883 Sr\n0.673354 0.826646 0.997883 Sr\n0.326646 0.173354 0.997883 Sr\n0.500000 0.500000 0.554368 Ti\n0.000000 0.000000 0.554368 Ti\n0.370550 0.870550 0.530629 Si\n0.629450 0.129450 0.530629 Si\n0.870550 0.629450 0.530629 Si\n0.129450 0.370550 0.530629 Si\n0.500000 0.000000 0.656516 O\n0.000000 0.500000 0.656516 O\n0.371834 0.871834 0.216509 O\n0.628166 0.128166 0.216509 O\n0.871834 0.628166 0.216509 O\n0.128166 0.371834 0.216509 O\n0.205264 0.919438 0.673722 O\n0.794736 0.080562 0.673722 O\n0.705264 0.580562 0.673722 O\n0.294736 0.419438 0.673722 O\n0.080562 0.205264 0.673722 O\n0.919438 0.794736 0.673722 O\n0.419438 0.705264 0.673722 O\n0.580562 0.294736 0.673722 O\n0.500000 0.500000 0.220188 O\n0.000000 0.000000 0.220188 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Ti",
"Si",
"O"
],
"chemical_system": "O-Si-Sr-Ti",
"density": 3.674697222660806,
"density_atomic": 0.07063663190398854,
"volume": 368.0809701592226,
"volume_molar": 8.525520820677686,
"formula_full": "Sr4 Ti2 Si4 O16",
"formula_reduced": "Sr2Ti(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -212.45525752,
"energy_per_atom": -8.171356058461539,
"energy_above_hull": null,
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"energy_uncorrected": -201.46325752,
"band_gap": 3.8662,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.525000Z",
"spacegroup": 100
},
{
"id": "mp-1218495",
"created_at": "2022-09-04T14:45:10.432181Z",
"structure_string": "Sr4 Ti3 Nb2 O15\n1.0\n11.620528 -2.809183 0.000000\n11.620528 2.809183 0.000000\n10.941428 0.000000 4.818023\nSr Ti Nb O\n4 3 2 15\ndirect\n0.400952 0.400952 0.400952 Sr\n0.801308 0.801308 0.801308 Sr\n0.198692 0.198692 0.198692 Sr\n0.599048 0.599048 0.599048 Sr\n0.100346 0.100346 0.100346 Ti\n0.500000 0.500000 0.500000 Ti\n0.899654 0.899654 0.899654 Ti\n0.299651 0.299651 0.299651 Nb\n0.700349 0.700349 0.700349 Nb\n0.899751 0.899751 0.408659 O\n0.100249 0.100249 0.591341 O\n0.500000 0.500000 0.000000 O\n0.300426 0.300426 0.799823 O\n0.699574 0.699574 0.200177 O\n0.000000 0.500000 0.500000 O\n0.200177 0.699574 0.699574 O\n0.591341 0.100249 0.100249 O\n0.408659 0.899751 0.899751 O\n0.799823 0.300426 0.300426 O\n0.500000 0.000000 0.500000 O\n0.699574 0.200177 0.699574 O\n0.100249 0.591341 0.100249 O\n0.899751 0.408659 0.899751 O\n0.300426 0.799823 0.300426 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "Nb-O-Sr-Ti",
"density": 4.855989776201465,
"density_atomic": 0.07629682823708143,
"volume": 314.56091366502744,
"volume_molar": 7.893042082020845,
"formula_full": "Sr4 Ti3 Nb2 O15",
"formula_reduced": "Sr4Ti3Nb2O15",
"formula_anonymous": "A2B3C4D15",
"energy": -206.56799224,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:48.329000Z",
"spacegroup": 166
},
{
"id": "mp-31213",
"created_at": "2022-09-04T14:41:57.663524Z",
"structure_string": "Sr4 Ti3 O10\n1.0\n-1.971506 1.971506 14.198367\n1.971506 -1.971506 14.198367\n1.971506 1.971506 -14.198367\nSr Ti O\n4 3 10\ndirect\n0.568332 0.568332 0.000000 Sr\n0.431668 0.431668 0.000000 Sr\n0.297738 0.297738 0.000000 Sr\n0.702262 0.702262 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n0.859846 0.859846 0.000000 Ti\n0.140154 0.140154 0.000000 Ti\n0.638887 0.138887 0.500000 O\n0.790666 0.790666 0.000000 O\n0.209334 0.209334 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.069410 0.069410 0.000000 O\n0.930590 0.930590 0.000000 O\n0.138887 0.638887 0.500000 O\n0.861113 0.361113 0.500000 O\n0.361113 0.861113 0.500000 O\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "O-Sr-Ti",
"density": 4.920192018224692,
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"volume": 220.74689076429348,
"volume_molar": 7.8198167559701135,
"formula_full": "Sr4 Ti3 O10",
"formula_reduced": "Sr4Ti3O10",
"formula_anonymous": "A3B4C10",
"energy": -139.58313067,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:26.847000Z",
"spacegroup": 139
},
{
"id": "mp-1048054",
"created_at": "2022-09-04T14:40:41.356017Z",
"structure_string": "Sr4 Ti4 Al2 Ga2 O14\n1.0\n5.160803 0.000000 0.000000\n-0.022827 5.333919 0.000000\n-2.550257 -2.495394 13.148995\nSr Ti Al Ga O\n4 4 2 2 14\ndirect\n0.149483 0.138882 0.315636 Sr\n0.825920 0.834154 0.676372 Sr\n0.660143 0.664456 0.318306 Sr\n0.344934 0.307891 0.673756 Sr\n0.517697 0.930918 0.895985 Ti\n0.992730 0.570027 0.111735 Ti\n0.861475 0.427693 0.895920 Ti\n0.604927 0.074359 0.112859 Ti\n0.410514 0.469532 0.986878 Al\n0.078503 0.988350 0.995408 Al\n0.293570 0.669715 0.496448 Ga\n0.795974 0.306977 0.497371 Ga\n0.258269 0.917824 0.114669 O\n0.666693 0.643675 0.499503 O\n0.801099 0.840874 0.174990 O\n0.808170 0.271955 0.631550 O\n0.199234 0.690258 0.914601 O\n0.651925 0.640955 0.821633 O\n0.166581 0.332510 0.495673 O\n0.652766 0.139696 0.819867 O\n0.195128 0.184491 0.905603 O\n0.287639 0.828379 0.629896 O\n0.172333 0.706197 0.363253 O\n0.657101 0.149205 0.364740 O\n0.331481 0.405729 0.104090 O\n0.857632 0.346655 0.180156 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Al-Ga-O-Sr-Ti",
"density": 4.401181924642298,
"density_atomic": 0.07183185636155676,
"volume": 361.95639813528163,
"volume_molar": 8.383662994435644,
"formula_full": "Sr4 Ti4 Al2 Ga2 O14",
"formula_reduced": "Sr2Ti2AlGaO7",
"formula_anonymous": "ABC2D2E7",
"energy": -194.48418315,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:08.518000Z",
"spacegroup": 1
},
{
"id": "mp-1217783",
"created_at": "2022-09-04T14:47:23.815232Z",
"structure_string": "Sr4 Ti4 Fe4 Bi4 O24\n1.0\n-5.633191 -3.251658 4.633586\n8.451026 -4.880817 -0.000829\n-0.001187 6.506488 4.634368\nSr Ti Fe Bi O\n4 4 4 4 24\ndirect\n0.739391 0.492912 0.739431 Sr\n0.239425 0.492925 0.239447 Sr\n0.489411 0.992948 0.989424 Sr\n0.989423 0.992950 0.489441 Sr\n0.615474 0.743690 0.115491 Ti\n0.115489 0.743694 0.615479 Ti\n0.365422 0.243667 0.365508 Ti\n0.865423 0.243667 0.865499 Ti\n0.852355 0.234951 0.352447 Fe\n0.102321 0.734848 0.102269 Fe\n0.352379 0.234972 0.852450 Fe\n0.602421 0.734901 0.602350 Fe\n0.277540 0.518497 0.777491 Bi\n0.777534 0.518495 0.277491 Bi\n0.027465 0.018498 0.027608 Bi\n0.527447 0.018495 0.527601 Bi\n0.811840 0.240216 0.600869 O\n0.311879 0.240255 0.100900 O\n0.561833 0.740281 0.850866 O\n0.061830 0.740279 0.350865 O\n0.480751 0.480528 0.932235 O\n0.980751 0.480530 0.432233 O\n0.230770 0.980511 0.182174 O\n0.730775 0.980515 0.682181 O\n0.826528 0.691770 0.586318 O\n0.326522 0.691765 0.086314 O\n0.576546 0.191790 0.836345 O\n0.076546 0.191788 0.336342 O\n0.936730 0.474480 0.992945 O\n0.436751 0.474490 0.492957 O\n0.686815 0.974436 0.242930 O\n0.186861 0.974451 0.742941 O\n0.852363 0.756142 0.077372 O\n0.352369 0.756142 0.577378 O\n0.602369 0.256060 0.327381 O\n0.102372 0.256062 0.827383 O\n0.105848 0.699402 0.824279 O\n0.605893 0.699415 0.324330 O\n0.855833 0.199486 0.074290 O\n0.355903 0.199504 0.574347 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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],
"chemical_system": "Bi-Fe-O-Sr-Ti",
"density": 6.4701986126234905,
"density_atomic": 0.07850847457034944,
"volume": 509.49913648057213,
"volume_molar": 7.67068879246114,
"formula_full": "Sr4 Ti4 Fe4 Bi4 O24",
"formula_reduced": "SrTiFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -310.44513619,
"energy_per_atom": -7.761128404750001,
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"updated_at": "2021-11-28T01:37:57.910000Z",
"spacegroup": 146
},
{
"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",
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"elements": [
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],
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"formula_full": "Sr4 Ti4 Ga2 O14",
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"updated_at": "2021-11-28T01:36:09.282000Z",
"spacegroup": 8
},
{
"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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"Ge",
"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,
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"energy_above_hull": null,
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"energy_uncorrected": -239.47643829,
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"is_magnetic": false,
"total_magnetization": 0.0009743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.782000Z",
"spacegroup": 14
},
{
"id": "mp-849433",
"created_at": "2022-09-04T14:47:21.923570Z",
"structure_string": "Sr4 Ti4 H16 O8 F24\n1.0\n9.865198 0.000000 0.000000\n0.000000 6.073492 0.000000\n0.000000 4.226108 11.152053\nSr Ti H O F\n4 4 16 8 24\ndirect\n0.313220 0.718369 0.450726 Sr\n0.813220 0.281631 0.049274 Sr\n0.186780 0.718369 0.950726 Sr\n0.686780 0.281631 0.549274 Sr\n0.035769 0.361579 0.731952 Ti\n0.535769 0.638421 0.768048 Ti\n0.464231 0.361579 0.231952 Ti\n0.964231 0.638421 0.268048 Ti\n0.353473 0.170244 0.947150 H\n0.607816 0.724236 0.327737 H\n0.364417 0.023679 0.084809 H\n0.632506 0.826088 0.429978 H\n0.853473 0.829756 0.552850 H\n0.132506 0.173912 0.070022 H\n0.864417 0.976321 0.415191 H\n0.892184 0.724236 0.827737 H\n0.107816 0.275764 0.172263 H\n0.135583 0.023679 0.584809 H\n0.867494 0.826088 0.929978 H\n0.146527 0.170244 0.447150 H\n0.367494 0.173912 0.570022 H\n0.635583 0.976321 0.915191 H\n0.392184 0.275764 0.672263 H\n0.646527 0.829756 0.052850 H\n0.581703 0.704256 0.410285 O\n0.307125 0.048735 0.014147 O\n0.807125 0.951265 0.485853 O\n0.918297 0.704256 0.910285 O\n0.081703 0.295744 0.089715 O\n0.192875 0.048735 0.514147 O\n0.692875 0.951265 0.985853 O\n0.418297 0.295744 0.589715 O\n0.939503 0.228151 0.879421 F\n0.137889 0.482033 0.590495 F\n0.434292 0.355789 0.813641 F\n0.656500 0.504630 0.686437 F\n0.090386 0.778470 0.340454 F\n0.156500 0.495370 0.813563 F\n0.855375 0.917098 0.225758 F\n0.934292 0.644211 0.686359 F\n0.637889 0.517967 0.909505 F\n0.439503 0.771849 0.620579 F\n0.355375 0.082902 0.274242 F\n0.590386 0.221530 0.159546 F\n0.409614 0.778470 0.840454 F\n0.644625 0.917098 0.725758 F\n0.560497 0.228151 0.379421 F\n0.362111 0.482033 0.090495 F\n0.065708 0.355789 0.313641 F\n0.144625 0.082902 0.774242 F\n0.843500 0.504630 0.186437 F\n0.909614 0.221530 0.659546 F\n0.343500 0.495370 0.313563 F\n0.565708 0.644211 0.186359 F\n0.862111 0.517967 0.409505 F\n0.060497 0.771849 0.120579 F\n",
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"elements": [
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],
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"density": 2.838103597711714,
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"volume_molar": 7.185582335722141,
"formula_full": "Sr4 Ti4 H16 O8 F24",
"formula_reduced": "SrTiH4(OF3)2",
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"energy": -335.21309466,
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"total_magnetization": 7.28e-05,
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"updated_at": "2021-11-28T01:38:04.822000Z",
"spacegroup": 14
}
]
}