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{
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"results": [
{
"id": "mp-1235183",
"created_at": "2022-09-04T14:44:21.615717Z",
"structure_string": "Sr4 Li1 Y2 Ru2 O12\n1.0\n5.935658 -0.036442 -0.029626\n-0.037234 5.911795 0.005623\n-0.009514 0.007772 8.286046\nSr Li Y Ru O\n4 1 2 2 12\ndirect\n0.498086 0.577753 0.245744 Sr\n0.042576 0.969382 0.270907 Sr\n0.007307 0.958350 0.752604 Sr\n0.487465 0.467015 0.757461 Sr\n0.673340 0.184107 0.235347 Li\n0.503605 0.998219 0.513755 Y\n0.996825 0.491625 0.000086 Y\n0.496543 0.001844 0.994098 Ru\n0.998590 0.492981 0.499472 Ru\n0.923339 0.503194 0.731495 O\n0.580103 0.022310 0.767213 O\n0.074296 0.501389 0.265132 O\n0.440334 0.986374 0.241212 O\n0.791877 0.761470 0.466765 O\n0.675490 0.299092 0.035623 O\n0.200672 0.226762 0.538945 O\n0.300272 0.723388 0.962868 O\n0.223580 0.192006 0.962532 O\n0.260209 0.708485 0.536469 O\n0.776266 0.815754 0.039467 O\n0.736724 0.285168 0.440615 O\n",
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"elements": [
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"volume": 290.7474545588339,
"volume_molar": 8.337724271261912,
"formula_full": "Sr4 Li1 Y2 Ru2 O12",
"formula_reduced": "Sr4LiY2(RuO6)2",
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"energy": -156.73852839,
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"updated_at": "2021-11-28T01:36:27.444000Z",
"spacegroup": 1
},
{
"id": "mp-1218822",
"created_at": "2022-09-04T14:47:04.639567Z",
"structure_string": "Sr4 Li2 B20 H6 O38\n1.0\n6.410683 0.001849 1.975432\n4.534850 -9.645027 -3.378902\n-0.007640 -0.027934 -11.468769\nSr Li B H O\n4 2 20 6 38\ndirect\n0.689856 0.989441 0.376337 Sr\n0.313438 0.013649 0.623749 Sr\n0.732900 0.455958 0.904862 Sr\n0.264406 0.535630 0.090527 Sr\n0.500055 0.011333 0.991581 Li\n0.236006 0.875624 0.085378 Li\n0.201492 0.502160 0.811915 B\n0.797821 0.498952 0.186498 B\n0.377930 0.263931 0.995571 B\n0.620774 0.736348 0.002623 B\n0.245626 0.302537 0.757254 B\n0.748283 0.700050 0.241240 B\n0.339481 0.701575 0.355127 B\n0.668875 0.293912 0.648646 B\n0.139523 0.147701 0.076699 B\n0.857517 0.857217 0.925850 B\n0.220635 0.959039 0.298673 B\n0.783207 0.041590 0.702792 B\n0.815636 0.690227 0.699052 B\n0.183144 0.309762 0.300941 B\n0.392363 0.778086 0.537905 B\n0.605562 0.222220 0.463279 B\n0.127244 0.725562 0.646191 B\n0.870307 0.275722 0.353353 B\n0.817751 0.132354 0.141849 B\n0.184812 0.865525 0.854418 B\n0.111499 0.327092 0.570510 H\n0.889833 0.674963 0.427641 H\n0.438308 0.503617 0.384887 H\n0.563059 0.492818 0.615183 H\n0.043209 0.109072 0.908914 H\n0.900391 0.877835 0.100205 H\n0.589317 0.723326 0.670356 O\n0.409665 0.276250 0.330000 O\n0.356584 0.599001 0.308700 O\n0.648775 0.398680 0.692559 O\n0.979688 0.577961 0.818870 O\n0.020009 0.422951 0.181818 O\n0.416293 0.666659 0.491220 O\n0.579608 0.332595 0.510275 O\n0.889318 0.761870 0.609841 O\n0.108460 0.238074 0.389252 O\n0.174875 0.062883 0.998410 O\n0.826330 0.940343 0.003800 O\n0.286278 0.606817 0.757458 O\n0.712048 0.395546 0.242464 O\n0.591219 0.162959 0.118921 O\n0.411496 0.835225 0.877878 O\n0.204379 0.249684 0.660274 O\n0.793925 0.752408 0.337959 O\n0.175181 0.815605 0.560568 O\n0.822383 0.185674 0.438862 O\n0.888762 0.202034 0.053912 O\n0.119391 0.802734 0.951914 O\n0.147245 0.442716 0.715545 O\n0.850958 0.561261 0.281077 O\n0.379585 0.211538 0.888703 O\n0.601045 0.793184 0.109231 O\n0.972804 0.025602 0.268220 O\n0.029055 0.967039 0.728228 O\n0.177151 0.271597 0.023770 O\n0.826893 0.731024 0.982130 O\n0.375820 0.404260 0.947023 O\n0.624694 0.596665 0.051179 O\n0.373072 0.905757 0.442324 O\n0.626434 0.093980 0.558950 O\n0.246982 0.835965 0.260993 O\n0.774066 0.159355 0.740987 O\n0.288779 0.054405 0.220034 O\n0.715990 0.945368 0.783049 O\n",
"nsites": 70,
"nelements": 5,
"elements": [
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"Li",
"B",
"H",
"O"
],
"chemical_system": "B-H-Li-O-Sr",
"density": 2.8009409096614113,
"density_atomic": 0.098838897465017,
"volume": 708.2231974995044,
"volume_molar": 6.09288540691328,
"formula_full": "Sr4 Li2 B20 H6 O38",
"formula_reduced": "Sr2LiB10H3O19",
"formula_anonymous": "AB2C3D10E19",
"energy": -546.44556462,
"energy_per_atom": -7.806365208857144,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.424000Z",
"spacegroup": 1
},
{
"id": "mp-569001",
"created_at": "2022-09-04T14:47:25.295561Z",
"structure_string": "Sr4 Li2 Co2 N4\n1.0\n5.429606 0.000000 0.000000\n0.000000 5.429606 0.000000\n0.000000 0.000000 7.381984\nSr Li Co N\n4 2 2 4\ndirect\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.735270 0.735270 0.500000 N\n0.764730 0.235270 0.000000 N\n0.264730 0.264730 0.500000 N\n0.235270 0.764730 0.000000 N\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Co",
"N"
],
"chemical_system": "Co-Li-N-Sr",
"density": 4.10702732009549,
"density_atomic": 0.05514060340485229,
"volume": 217.6254748591311,
"volume_molar": 10.921427021362739,
"formula_full": "Sr4 Li2 Co2 N4",
"formula_reduced": "Sr2LiCoN2",
"formula_anonymous": "ABC2D2",
"energy": -65.87818934,
"energy_per_atom": -5.4898491116666674,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -64.43418934,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.826000Z",
"spacegroup": 136
},
{
"id": "mp-8923",
"created_at": "2022-09-04T14:39:17.298389Z",
"structure_string": "Sr4 Li2 Fe4 N6\n1.0\n5.628609 3.269544 0.000000\n-5.628609 3.269544 0.000000\n0.000000 0.250487 6.546121\nSr Li Fe N\n4 2 4 6\ndirect\n0.822709 0.681959 0.900685 Sr\n0.318041 0.177291 0.599315 Sr\n0.177291 0.318041 0.099315 Sr\n0.681959 0.822709 0.400685 Sr\n0.807224 0.192776 0.750000 Li\n0.192776 0.807224 0.250000 Li\n0.571341 0.164394 0.103112 Fe\n0.428659 0.835606 0.896888 Fe\n0.835606 0.428659 0.396888 Fe\n0.164394 0.571341 0.603112 Fe\n0.410389 0.589611 0.750000 N\n0.589611 0.410389 0.250000 N\n0.999844 0.719082 0.515903 N\n0.719082 0.999844 0.015903 N\n0.000156 0.280918 0.484097 N\n0.280918 0.000156 0.984097 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Li",
"Fe",
"N"
],
"chemical_system": "Fe-Li-N-Sr",
"density": 4.629939311654192,
"density_atomic": 0.06640758568398991,
"volume": 240.93633031832104,
"volume_molar": 9.068453096092405,
"formula_full": "Sr4 Li2 Fe4 N6",
"formula_reduced": "Sr2LiFe2N3",
"formula_anonymous": "AB2C2D3",
"energy": -105.12947308,
"energy_per_atom": -6.5705920675,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:26.148000Z",
"spacegroup": 15
},
{
"id": "mp-1103453",
"created_at": "2022-09-04T14:40:13.221888Z",
"structure_string": "Sr4 Li2 Ge6\n1.0\n0.000000 4.621133 7.548438\n4.389030 0.000000 7.548438\n4.389030 4.621133 0.000000\nSr Li Ge\n4 2 6\ndirect\n0.243290 0.756710 0.243290 Sr\n0.756710 0.243290 0.756710 Sr\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.666424 0.666424 0.333576 Li\n0.333576 0.333576 0.666424 Li\n0.666366 0.167541 0.333634 Ge\n0.832459 0.333634 0.167541 Ge\n0.333634 0.832459 0.666366 Ge\n0.167541 0.666366 0.832459 Ge\n0.833847 0.833847 0.166153 Ge\n0.166153 0.166153 0.833847 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Li",
"Ge"
],
"chemical_system": "Ge-Li-Sr",
"density": 4.339549280447554,
"density_atomic": 0.03919016939849142,
"volume": 306.199237823706,
"volume_molar": 15.366457589825615,
"formula_full": "Sr4 Li2 Ge6",
"formula_reduced": "Sr2LiGe3",
"formula_anonymous": "AB2C3",
"energy": -44.97768819,
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"updated_at": "2021-11-28T01:34:52.026000Z",
"spacegroup": 69
},
{
"id": "mp-1218749",
"created_at": "2022-09-04T14:39:38.102050Z",
"structure_string": "Sr4 Li2 Mg2 Si6\n1.0\n2.311241 -9.742700 0.000000\n2.311241 9.742700 0.000000\n0.000000 0.000000 7.185340\nSr Li Mg Si\n4 2 2 6\ndirect\n0.444190 0.555810 0.751986 Sr\n0.555810 0.444190 0.251986 Sr\n0.653942 0.346058 0.738844 Sr\n0.346058 0.653942 0.238844 Sr\n0.809605 0.190395 0.949349 Li\n0.190395 0.809605 0.449349 Li\n0.190881 0.809119 0.056385 Mg\n0.809119 0.190881 0.556385 Mg\n0.278372 0.721628 0.751040 Si\n0.721628 0.278372 0.251040 Si\n0.946780 0.053220 0.417874 Si\n0.052590 0.947410 0.584522 Si\n0.947410 0.052590 0.084522 Si\n0.053220 0.946780 0.917874 Si\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Li-Mg-Si-Sr",
"density": 2.98391008260375,
"density_atomic": 0.043263948604634776,
"volume": 323.59505897018863,
"volume_molar": 13.91953567399269,
"formula_full": "Sr4 Li2 Mg2 Si6",
"formula_reduced": "Sr2LiMgSi3",
"formula_anonymous": "ABC2D3",
"energy": -51.50813311,
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"updated_at": "2021-11-28T01:34:25.551000Z",
"spacegroup": 36
},
{
"id": "mp-10556",
"created_at": "2022-09-04T14:42:46.726123Z",
"structure_string": "Sr4 Li2 Re2 N8\n1.0\n5.910091 0.000000 0.000000\n0.000000 6.205493 0.000000\n0.000000 1.954697 6.660100\nSr Li Re N\n4 2 2 8\ndirect\n0.250000 0.261790 0.055662 Sr\n0.750000 0.738210 0.944338 Sr\n0.750000 0.780481 0.431437 Sr\n0.250000 0.219519 0.568563 Sr\n0.750000 0.306502 0.309312 Li\n0.250000 0.693498 0.690688 Li\n0.250000 0.718062 0.201769 Re\n0.750000 0.281938 0.798231 Re\n0.504790 0.469754 0.748373 N\n0.004790 0.530246 0.251627 N\n0.495210 0.530246 0.251627 N\n0.995210 0.469754 0.748373 N\n0.750000 0.097617 0.628319 N\n0.250000 0.902383 0.371681 N\n0.750000 0.117101 0.063687 N\n0.250000 0.882899 0.936313 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Li",
"Re",
"N"
],
"chemical_system": "Li-N-Re-Sr",
"density": 5.770565900654228,
"density_atomic": 0.06550414383401369,
"volume": 244.25935617972058,
"volume_molar": 9.193526405382833,
"formula_full": "Sr4 Li2 Re2 N8",
"formula_reduced": "Sr2LiReN4",
"formula_anonymous": "ABC2D4",
"energy": -118.23119723,
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"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.923000Z",
"spacegroup": 11
},
{
"id": "mp-556066",
"created_at": "2022-09-04T14:41:04.038001Z",
"structure_string": "Sr4 Li2 Si2 O8 F2\n1.0\n5.466433 0.000000 0.000000\n0.000000 6.638211 0.000000\n0.000000 2.653664 6.474675\nSr Li Si O F\n4 2 2 8 2\ndirect\n0.250000 0.841297 0.373513 Sr\n0.750000 0.635160 0.101621 Sr\n0.750000 0.158703 0.626487 Sr\n0.250000 0.364840 0.898379 Sr\n0.250000 0.851808 0.880763 Li\n0.750000 0.148192 0.119237 Li\n0.750000 0.654737 0.664717 Si\n0.250000 0.345263 0.335283 Si\n0.507055 0.776430 0.711282 O\n0.250000 0.337194 0.570882 O\n0.750000 0.404221 0.841617 O\n0.750000 0.662806 0.429118 O\n0.250000 0.595779 0.158383 O\n0.007055 0.223570 0.288718 O\n0.992945 0.776430 0.711282 O\n0.492945 0.223570 0.288718 O\n0.000000 0.000000 0.000000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
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"Li",
"Si",
"O",
"F"
],
"chemical_system": "F-Li-O-Si-Sr",
"density": 4.145363075315935,
"density_atomic": 0.07661246736073503,
"volume": 234.94870508798226,
"volume_molar": 7.860523185664207,
"formula_full": "Sr4 Li2 Si2 O8 F2",
"formula_reduced": "Sr2LiSiO4F",
"formula_anonymous": "ABCD2E4",
"energy": -125.3959146,
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"total_magnetization": 6e-07,
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"updated_at": "2021-11-28T01:35:08.280000Z",
"spacegroup": 11
},
{
"id": "mp-1208808",
"created_at": "2022-09-04T14:43:58.518056Z",
"structure_string": "Sr4 Li2 Te2 O12\n1.0\n0.000000 -5.679665 0.000000\n-4.640904 0.000000 3.273589\n-4.641786 0.000000 -6.601427\nSr Li Te O\n4 2 2 12\ndirect\n0.500985 0.002280 0.749944 Sr\n0.499015 0.997720 0.250056 Sr\n0.000985 0.497720 0.750056 Sr\n0.999015 0.502280 0.249944 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.776449 0.743187 0.995883 O\n0.223551 0.256813 0.004117 O\n0.276449 0.756813 0.504117 O\n0.723551 0.243187 0.495883 O\n0.256406 0.776077 0.996713 O\n0.743594 0.223923 0.003287 O\n0.756406 0.723923 0.503287 O\n0.243594 0.276077 0.496713 O\n0.999897 0.008689 0.760559 O\n0.000103 0.991311 0.239441 O\n0.499897 0.491311 0.739441 O\n0.500103 0.508689 0.260559 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Li-O-Sr-Te",
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"volume": 260.30977333791657,
"volume_molar": 7.8381104812231435,
"formula_full": "Sr4 Li2 Te2 O12",
"formula_reduced": "Sr2LiTeO6",
"formula_anonymous": "ABC2D6",
"energy": -124.16017684,
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"updated_at": "2021-11-28T01:36:07.278000Z",
"spacegroup": 128
},
{
"id": "mp-1208810",
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},
{
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"structure_string": "Sr4 Li3 In1 Ge6\n1.0\n2.331679 9.900010 0.000000\n-2.331679 9.900010 0.000000\n0.000000 0.067064 7.342920\nSr Li In Ge\n4 3 1 6\ndirect\n0.654307 0.654307 0.248124 Sr\n0.343442 0.343442 0.767296 Sr\n0.445469 0.445469 0.250271 Sr\n0.555330 0.555330 0.747740 Sr\n0.190772 0.190772 0.560325 Li\n0.810601 0.810601 0.052590 Li\n0.191048 0.191048 0.937024 Li\n0.807292 0.807292 0.448015 In\n0.277891 0.277891 0.235816 Ge\n0.721268 0.721268 0.755923 Ge\n0.942701 0.942701 0.927068 Ge\n0.057666 0.057666 0.070860 Ge\n0.944887 0.944887 0.581656 Ge\n0.057323 0.057323 0.417292 Ge\n",
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"formula_full": "Sr4 Li3 In1 Ge6",
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},
{
"id": "mp-1020627",
"created_at": "2022-09-04T14:39:25.073338Z",
"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.884908 0.000000 0.000000\n1.366083 7.405831 0.000000\n2.279717 0.716289 9.708716\nSr Li Al N\n4 4 12 16\ndirect\n0.997514 0.865303 0.873700 Sr\n0.002486 0.134697 0.126300 Sr\n0.976245 0.616468 0.628323 Sr\n0.023755 0.383532 0.371677 Sr\n0.532651 0.674468 0.887486 Li\n0.467349 0.325532 0.112514 Li\n0.790571 0.820069 0.355861 Li\n0.209429 0.179931 0.644139 Li\n0.447963 0.045708 0.876565 Al\n0.552037 0.954292 0.123435 Al\n0.824423 0.059007 0.602278 Al\n0.175577 0.940993 0.397722 Al\n0.831878 0.291543 0.852120 Al\n0.168122 0.708457 0.147880 Al\n0.178869 0.442772 0.899954 Al\n0.821131 0.557228 0.100046 Al\n0.530879 0.438228 0.624615 Al\n0.469121 0.561772 0.375385 Al\n0.435773 0.796277 0.632973 Al\n0.564227 0.203723 0.367027 Al\n0.651170 0.131898 0.971052 N\n0.348830 0.868102 0.028948 N\n0.626256 0.644862 0.496090 N\n0.373744 0.355138 0.503910 N\n0.613712 0.916313 0.720210 N\n0.386288 0.083687 0.279790 N\n0.849207 0.069147 0.407743 N\n0.150793 0.930853 0.592257 N\n0.169190 0.204675 0.856034 N\n0.830810 0.795325 0.143966 N\n0.838033 0.522586 0.911566 N\n0.161967 0.477414 0.088434 N\n0.801980 0.290561 0.667338 N\n0.198020 0.709439 0.332662 N\n0.340855 0.590284 0.761057 N\n0.659145 0.409716 0.238943 N\n",
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"elements": [
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],
"chemical_system": "Al-Li-N-Sr",
"density": 3.6345079205023807,
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"formula_full": "Sr4 Li4 Al12 N16",
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"updated_at": "2021-11-28T01:34:25.385000Z",
"spacegroup": 2
}
]
}