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"results": [
{
"id": "jvasp-17471",
"created_at": "2022-09-04T14:38:29.871414Z",
"updated_at": "2022-09-04T14:38:29.871441Z",
"structure_string": "Sr2 Mn3 Sb2 O2\n1.0\n3.987992 -0.000000 -0.826566\n-0.171317 3.984311 -0.826566\n0.068963 0.071992 10.366587\nSr Mn Sb O\n2 3 2 2\ndirect\n0.416213 0.416213 0.832428 Sr\n0.583786 0.583787 0.167573 Sr\n0.000000 0.000000 0.000000 Mn\n0.749999 0.250001 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.831646 0.831648 0.663296 Sb\n0.168350 0.168351 0.336703 Sb\n0.999998 0.499999 -0.000001 O\n0.500001 0.000000 -0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
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],
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"density": 6.187792394646294,
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"volume": 165.1934715511011,
"volume_molar": 11.053537092375405,
"formula_full": "Sr2 Mn3 Sb2 O2",
"formula_reduced": "Sr2Mn3(SbO)2",
"formula_anonymous": "A2B2C2D3",
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"spacegroup": 139
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{
"id": "jvasp-90845",
"created_at": "2022-09-04T14:36:19.412493Z",
"updated_at": "2022-09-04T14:36:19.412523Z",
"structure_string": "Sr2 Mn2 Sb2 F2\n1.0\n4.265625 -0.000000 0.000000\n0.000000 4.265625 -0.000000\n-0.000000 -0.000000 9.489257\nSr Mn Sb F\n2 2 2 2\ndirect\n0.749999 0.749999 0.859018 Sr\n0.250000 0.250000 0.140982 Sr\n0.250000 0.749999 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.749999 0.749999 0.325850 Sb\n0.250000 0.250000 0.674150 Sb\n0.250000 0.749999 0.000000 F\n0.749999 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Mn",
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"F"
],
"chemical_system": "F-Mn-Sb-Sr",
"density": 5.4494582132052605,
"density_atomic": 0.046333214531666805,
"volume": 172.66231322094728,
"volume_molar": 12.997459427046918,
"formula_full": "Sr2 Mn2 Sb2 F2",
"formula_reduced": "SrMnSbF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8538474834698276,
"spacegroup": 129
},
{
"id": "jvasp-9496",
"created_at": "2022-09-04T14:38:08.961775Z",
"updated_at": "2022-09-04T14:38:08.961798Z",
"structure_string": "Sr4 Mn2 S2 O6\n1.0\n3.953105 0.000000 0.000000\n0.000000 3.953105 0.000000\n0.000000 0.000000 13.539180\nSr Mn S O\n4 2 2 6\ndirect\n0.500001 0.000000 0.138175 Sr\n0.000000 0.500001 0.861825 Sr\n0.500001 0.000000 0.400362 Sr\n0.000000 0.500001 0.599638 Sr\n0.000000 0.500001 0.276707 Mn\n0.500001 0.000000 0.723293 Mn\n0.000000 0.500001 0.092652 S\n0.500001 0.000000 0.907348 S\n0.500001 0.500001 0.272593 O\n0.000000 0.000000 0.272593 O\n0.000000 0.000000 0.727407 O\n0.500001 0.500001 0.727407 O\n0.000000 0.500001 0.416378 O\n0.500001 0.000000 0.583622 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"S",
"O"
],
"chemical_system": "Mn-O-S-Sr",
"density": 4.8697825109408015,
"density_atomic": 0.06616967074485681,
"volume": 211.57729579738285,
"volume_molar": 9.101058977942827,
"formula_full": "Sr4 Mn2 S2 O6",
"formula_reduced": "Sr2MnSO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.65271576591133,
"spacegroup": 129
},
{
"id": "jvasp-113056",
"created_at": "2022-09-04T14:38:46.409790Z",
"updated_at": "2022-09-04T14:38:46.409808Z",
"structure_string": "Sr4 Mn1 Ru1 O8\n1.0\n3.801052 -0.000000 0.000000\n0.000000 3.801052 0.000000\n-0.000000 -0.000000 12.832861\nSr Mn Ru O\n4 1 1 8\ndirect\n0.500000 0.500000 0.141505 Sr\n0.000000 0.000000 0.653193 Sr\n0.000000 0.000000 0.346807 Sr\n0.500000 0.500000 0.858495 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.336429 O\n0.000000 0.000000 0.842905 O\n0.000000 0.000000 0.157095 O\n0.500000 0.500000 0.663570 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.682482976439657,
"density_atomic": 0.07550868787267828,
"volume": 185.4091283324458,
"volume_molar": 7.975427635763518,
"formula_full": "Sr4 Mn1 Ru1 O8",
"formula_reduced": "Sr4MnRuO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.0972036415270936,
"spacegroup": 123
},
{
"id": "jvasp-106737",
"created_at": "2022-09-04T14:36:52.438007Z",
"updated_at": "2022-09-04T14:36:52.438038Z",
"structure_string": "Sr2 Mn1 Ru1 O6\n1.0\n4.702659 -0.127353 -2.898839\n-1.529876 4.448674 -2.898839\n0.093505 0.127353 5.523543\nSr Mn Ru O\n2 1 1 6\ndirect\n0.749999 0.250000 0.499999 Sr\n0.249999 0.749999 0.499998 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Ru\n0.794613 0.713989 0.508603 O\n0.205385 0.286010 0.491394 O\n0.286010 0.794613 0.080623 O\n0.713988 0.205386 0.919374 O\n0.751418 0.751419 -0.000001 O\n0.248581 0.248581 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 6.01127499262564,
"density_atomic": 0.08473075446345422,
"volume": 118.02090118663071,
"volume_molar": 7.107384795679412,
"formula_full": "Sr2 Mn1 Ru1 O6",
"formula_reduced": "Sr2MnRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4153391361379306,
"spacegroup": 87
},
{
"id": "jvasp-91677",
"created_at": "2022-09-04T14:35:47.455586Z",
"updated_at": "2022-09-04T14:35:47.455606Z",
"structure_string": "Sr2 Mn2 P2 F2\n1.0\n3.950238 -0.000000 0.000000\n-0.000000 3.950238 0.000000\n-0.000000 0.000000 8.605792\nSr Mn P F\n2 2 2 2\ndirect\n0.750000 0.750000 0.828969 Sr\n0.250000 0.250000 0.171031 Sr\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.750000 0.750000 0.374437 P\n0.250000 0.250000 0.625563 P\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Mn",
"P",
"F"
],
"chemical_system": "F-Mn-P-Sr",
"density": 4.7614651294227315,
"density_atomic": 0.059573431542692,
"volume": 134.28805077758489,
"volume_molar": 10.108769302108046,
"formula_full": "Sr2 Mn2 P2 F2",
"formula_reduced": "SrMnPF",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.1180348334698276,
"spacegroup": 129
},
{
"id": "jvasp-26172",
"created_at": "2022-09-04T14:37:46.499694Z",
"updated_at": "2022-09-04T14:37:46.499727Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.185401 0.000000 -1.632031\n-0.543850 5.309943 -1.727956\n-0.042186 -0.065705 8.919684\nSr Mn Ga O\n4 2 2 10\ndirect\n0.387535 0.874432 0.779290 Sr\n0.608244 0.125569 0.220709 Sr\n0.108244 0.595139 0.220708 Sr\n0.887535 0.404861 0.779291 Sr\n0.494287 0.500000 -0.000000 Mn\n0.994287 0.000000 0.000000 Mn\n0.784080 0.819035 0.500000 Ga\n0.284079 0.180965 0.499999 Ga\n0.751907 0.753926 0.012529 O\n0.630700 0.123857 0.499999 O\n0.251908 0.758603 0.012530 O\n0.118464 0.189994 0.286062 O\n0.832401 0.810006 0.713937 O\n0.618464 0.596066 0.286061 O\n0.332402 0.403934 0.713938 O\n0.130701 0.876144 0.500000 O\n0.239377 0.241398 0.987469 O\n0.739377 0.246074 0.987470 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.1584453831368435,
"density_atomic": 0.07359447135265411,
"volume": 244.58358989694474,
"volume_molar": 8.182871144141751,
"formula_full": "Sr4 Mn2 Ga2 O10",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6549410762643677,
"spacegroup": 46
},
{
"id": "jvasp-119693",
"created_at": "2022-09-04T14:38:53.284933Z",
"updated_at": "2022-09-04T14:38:53.284960Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.239030 0.003010 -1.626017\n-0.587793 5.201757 -1.639315\n-0.038508 -0.020102 9.006656\nSr Mn Ga O\n4 2 2 10\ndirect\n0.877582 0.403162 0.780750 Sr\n0.122420 0.596840 0.219250 Sr\n0.403167 0.877588 0.780750 Sr\n0.596835 0.122414 0.219250 Sr\n0.000001 -0.000000 -0.000000 Mn\n0.499999 0.500000 -0.000002 Mn\n0.183089 0.183130 0.500007 Ga\n0.816909 0.816871 0.499992 Ga\n0.620695 0.620660 0.287599 O\n0.379303 0.379340 0.712403 O\n0.171484 0.828545 0.500000 O\n0.828514 0.171456 0.500000 O\n0.243461 0.243463 0.986922 O\n0.250008 0.750012 0.000014 O\n0.756540 0.756536 0.013077 O\n0.833070 0.833036 0.712380 O\n0.749994 0.249990 0.999985 O\n0.166929 0.166965 0.287621 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.150741686484244,
"density_atomic": 0.07348456430886478,
"volume": 244.9494008611626,
"volume_molar": 8.195109839242146,
"formula_full": "Sr4 Mn2 Ga2 O10",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6555021873754785,
"spacegroup": 69
},
{
"id": "jvasp-86271",
"created_at": "2022-09-04T14:36:01.814778Z",
"updated_at": "2022-09-04T14:36:01.814813Z",
"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110135 0.000000 -1.443841\n-0.554881 7.181799 -1.963869\n-0.025217 0.065442 9.675724\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401297 0.039032 0.802596 Sr\n0.334008 0.528691 0.668018 Sr\n0.973339 0.736368 0.946679 Sr\n0.200431 0.803593 0.400863 Sr\n0.799568 0.196407 0.599137 Sr\n0.026660 0.263632 0.053320 Sr\n0.665990 0.471309 0.331981 Sr\n0.598702 0.960968 0.197403 Sr\n0.186444 0.204813 0.372888 Mn\n0.813555 0.795187 0.627111 Mn\n0.500000 0.500000 -0.000000 Fe\n0.724215 0.831354 0.448432 N\n0.275783 0.168646 0.551567 N\n0.822989 0.571202 0.645980 N\n0.105887 0.012931 0.211775 N\n0.894111 0.987069 0.788224 N\n0.177010 0.428798 0.354020 N\n0.476255 0.711348 0.952511 N\n0.523744 0.288651 0.047488 N\n",
"nsites": 19,
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"elements": [
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"N"
],
"chemical_system": "Fe-Mn-N-Sr",
"density": 4.571069117108386,
"density_atomic": 0.053438875398617275,
"volume": 355.54640434090464,
"volume_molar": 11.269213124488436,
"formula_full": "Sr8 Mn2 Fe1 N8",
"formula_reduced": "Sr8Mn2FeN8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 3.1812640243557166,
"spacegroup": 12
},
{
"id": "jvasp-86873",
"created_at": "2022-09-04T14:35:42.289239Z",
"updated_at": "2022-09-04T14:35:42.289267Z",
"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110198 0.000000 -1.443859\n-0.554901 7.181727 -1.963942\n-0.025288 0.065302 9.675594\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401298 0.039033 0.802597 Sr\n0.334007 0.528694 0.668015 Sr\n0.973338 0.736366 0.946675 Sr\n0.200429 0.803589 0.400858 Sr\n0.799571 0.196411 0.599142 Sr\n0.026662 0.263635 0.053325 Sr\n0.665993 0.471306 0.331985 Sr\n0.598702 0.960967 0.197402 Sr\n0.186447 0.204810 0.372894 Mn\n0.813553 0.795191 0.627106 Mn\n0.500000 0.500000 0.000000 Fe\n0.724214 0.831356 0.448428 N\n0.275786 0.168644 0.551571 N\n0.822988 0.571204 0.645974 N\n0.105886 0.012929 0.211772 N\n0.894114 0.987072 0.788228 N\n0.177013 0.428797 0.354025 N\n0.476255 0.711345 0.952510 N\n0.523745 0.288655 0.047490 N\n",
"nsites": 19,
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"elements": [
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"N"
],
"chemical_system": "Fe-Mn-N-Sr",
"density": 4.571148471944144,
"density_atomic": 0.053439803110072015,
"volume": 355.5402320787928,
"volume_molar": 11.26901749169241,
"formula_full": "Sr8 Mn2 Fe1 N8",
"formula_reduced": "Sr8Mn2FeN8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 3.1812640243557166,
"spacegroup": 12
},
{
"id": "jvasp-113184",
"created_at": "2022-09-04T14:38:46.190741Z",
"updated_at": "2022-09-04T14:38:46.190758Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.896024 0.000318 0.000000\n-0.000306 3.896024 -0.000002\n-0.000007 0.000001 14.507037\nSr Mn Cl O\n4 2 2 6\ndirect\n0.250000 0.250000 0.094243 Sr\n0.749998 0.749999 0.905757 Sr\n0.250000 0.250000 0.344117 Sr\n0.749997 0.749999 0.655884 Sr\n0.749999 0.750000 0.210432 Mn\n0.249999 0.249999 0.789566 Mn\n0.749998 0.750000 0.426064 Cl\n0.249998 0.249999 0.573936 Cl\n0.749999 0.250000 0.229842 O\n0.249999 0.750000 0.229842 O\n0.249998 0.749999 0.770159 O\n0.749998 0.250000 0.770158 O\n0.749998 0.750000 0.075355 O\n0.249999 0.249999 0.924647 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.73013653901942,
"density_atomic": 0.06357788363545856,
"volume": 220.20235968018193,
"volume_molar": 9.472068611987172,
"formula_full": "Sr4 Mn2 Cl2 O6",
"formula_reduced": "Sr2MnClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.3245334898399015,
"spacegroup": 129
},
{
"id": "jvasp-57240",
"created_at": "2022-09-04T14:36:53.893603Z",
"updated_at": "2022-09-04T14:36:53.893629Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.899810 0.000000 0.000000\n0.000000 3.899810 0.000000\n0.000000 0.000000 14.507094\nSr Mn Cl O\n4 2 2 6\ndirect\n0.000000 0.500000 0.094316 Sr\n0.500000 0.000000 0.905684 Sr\n0.000000 0.500000 0.344298 Sr\n0.500000 0.000000 0.655702 Sr\n0.500000 0.000000 0.210568 Mn\n0.000000 0.500000 0.789432 Mn\n0.500000 0.000000 0.426027 Cl\n0.000000 0.500000 0.573973 Cl\n0.500000 0.500000 0.229960 O\n0.000000 0.000000 0.229960 O\n0.000000 0.000000 0.770040 O\n0.500000 0.500000 0.770040 O\n0.500000 0.000000 0.075398 O\n0.000000 0.500000 0.924602 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.720938288742864,
"density_atomic": 0.06345424972322186,
"volume": 220.6314007503981,
"volume_molar": 9.490523938534762,
"formula_full": "Sr4 Mn2 Cl2 O6",
"formula_reduced": "Sr2MnClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.3270606326970449,
"spacegroup": 129
}
]
}