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{
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"results": [
{
"id": "jvasp-108817",
"created_at": "2022-09-04T14:38:01.860058Z",
"updated_at": "2022-09-04T14:38:01.860086Z",
"structure_string": "Ti1 Mn1 N2\n1.0\n2.544753 -0.002242 1.392105\n1.140679 0.789561 6.976140\n-0.016765 -0.011604 18.144209\nTi Mn N\n1 1 2\ndirect\n-0.000000 -0.000056 0.500012 Ti\n0.000000 -0.000004 -0.000008 Mn\n0.000000 0.524892 0.570869 N\n0.000000 0.475077 0.429124 N\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-N-Ti",
"density": 5.917648108578542,
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"volume": 36.708694834263014,
"volume_molar": 5.52662318519542,
"formula_full": "Ti1 Mn1 N2",
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"formula_anonymous": "ABC2",
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"spacegroup": 164
},
{
"id": "jvasp-107027",
"created_at": "2022-09-04T14:36:59.357208Z",
"updated_at": "2022-09-04T14:36:59.357220Z",
"structure_string": "Ti1 Mn1 Ni4 Sn2\n1.0\n4.116209 0.000208 6.165130\n1.869119 3.667366 6.165130\n0.000339 0.000208 7.412963\nTi Mn Ni Sn\n1 1 4 2\ndirect\n0.500000 0.500001 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.623001 0.623002 0.623000 Ni\n0.126386 0.126386 0.126386 Ni\n0.873614 0.873616 0.873613 Ni\n0.376999 0.377000 0.376998 Ni\n0.251632 0.251633 0.251632 Sn\n0.748367 0.748369 0.748366 Sn\n",
"nsites": 8,
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"elements": [
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"Ni",
"Sn"
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"density_atomic": 0.07149877457666283,
"volume": 111.89002954760007,
"volume_molar": 8.422718844702585,
"formula_full": "Ti1 Mn1 Ni4 Sn2",
"formula_reduced": "TiMn(Ni2Sn)2",
"formula_anonymous": "ABC2D4",
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"spacegroup": 166
},
{
"id": "jvasp-115240",
"created_at": "2022-09-04T14:38:45.527418Z",
"updated_at": "2022-09-04T14:38:45.527432Z",
"structure_string": "Ti1 Mn1 O4\n1.0\n-1.877932 1.877932 4.699906\n1.877932 -1.877932 4.699906\n1.877932 1.877932 -4.699906\nTi Mn O\n1 1 4\ndirect\n0.749999 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.962156 0.462158 0.499999 O\n0.798460 0.798460 0.000000 O\n0.537841 0.037842 0.499999 O\n0.201540 0.201540 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.1777566808459365,
"density_atomic": 0.09049870450835733,
"volume": 66.29929160417888,
"volume_molar": 6.654394438810857,
"formula_full": "Ti1 Mn1 O4",
"formula_reduced": "TiMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.859351595785441,
"spacegroup": 119
},
{
"id": "jvasp-43226",
"created_at": "2022-09-04T14:35:56.025266Z",
"updated_at": "2022-09-04T14:35:56.025296Z",
"structure_string": "Ti1 Mn1 O4\n1.0\n5.401709 0.243803 0.000000\n2.583268 4.750224 0.000000\n-3.992489 -2.497014 2.657604\nTi Mn O\n1 1 4\ndirect\n0.750000 0.249999 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.537900 0.037900 0.499999 O\n0.201271 0.201270 -0.000000 O\n0.962100 0.462099 0.499999 O\n0.798731 0.798728 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.163985933376882,
"density_atomic": 0.09020040211756114,
"volume": 66.51855046255784,
"volume_molar": 6.676401233944774,
"formula_full": "Ti1 Mn1 O4",
"formula_reduced": "TiMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.860758262452108,
"spacegroup": 119
},
{
"id": "jvasp-41623",
"created_at": "2022-09-04T14:37:42.022822Z",
"updated_at": "2022-09-04T14:37:42.022850Z",
"structure_string": "Ti1 Mn1 Rh2\n1.0\n0.000000 3.067309 3.067309\n3.067309 0.000000 3.067309\n3.067309 3.067309 0.000000\nTi Mn Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.250001 0.250001 0.250001 Mn\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Rh"
],
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"density": 8.87901963574562,
"density_atomic": 0.06930385758231383,
"volume": 57.71684491370636,
"volume_molar": 8.689474107335744,
"formula_full": "Ti1 Mn1 Rh2",
"formula_reduced": "TiMnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3264903936781614,
"spacegroup": 225
},
{
"id": "jvasp-116838",
"created_at": "2022-09-04T14:38:46.070123Z",
"updated_at": "2022-09-04T14:38:46.070153Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.464102 0.043994 1.753722\n0.265945 6.458778 1.753722\n0.007665 0.007406 5.591682\nTi Mn V O\n1 1 4 12\ndirect\n0.086290 0.913710 0.499999 Ti\n0.915645 0.084354 -0.000000 Mn\n0.803102 0.604437 0.009932 V\n0.610818 0.801119 0.509490 V\n0.395563 0.196898 -0.009933 V\n0.198881 0.389183 0.490509 V\n0.182403 0.028003 0.108469 O\n0.383575 0.332777 0.675712 O\n0.365101 0.922332 0.497290 O\n0.333970 0.387101 0.176479 O\n0.667223 0.616425 0.324287 O\n0.817599 0.971089 0.373461 O\n0.612899 0.666030 0.823520 O\n0.077669 0.634900 0.502709 O\n0.905761 0.357405 0.025148 O\n0.971997 0.817597 0.891530 O\n0.642594 0.094240 0.974852 O\n0.028910 0.182402 0.626538 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5497759819491352,
"density_atomic": 0.07717978656650158,
"volume": 233.221686671683,
"volume_molar": 7.8027434745638375,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
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"spacegroup": 5
},
{
"id": "jvasp-42437",
"created_at": "2022-09-04T14:37:29.529228Z",
"updated_at": "2022-09-04T14:37:29.529265Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.706343 -0.028169 -0.047890\n-0.742167 6.665209 0.047890\n-1.443402 1.297068 5.266675\nTi Mn V O\n1 1 4 12\ndirect\n0.913830 0.913831 0.250000 Ti\n0.084817 0.084817 0.750001 Mn\n0.197511 0.604811 0.762741 V\n0.389040 0.801124 0.261216 V\n0.604811 0.197510 0.737260 V\n0.801123 0.389041 0.238785 V\n0.817173 0.027701 0.859604 O\n0.616018 0.331365 0.421947 O\n0.634168 0.920402 0.248037 O\n0.668861 0.386302 0.925137 O\n0.331365 0.616018 0.078054 O\n0.182037 0.969899 0.122821 O\n0.386302 0.668861 0.574864 O\n0.920402 0.634168 0.251964 O\n0.097485 0.357455 0.774121 O\n0.027702 0.817173 0.640397 O\n0.357455 0.097485 0.725880 O\n0.969899 0.182037 0.377180 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5307764629566396,
"density_atomic": 0.07676669604243369,
"volume": 234.47667970561466,
"volume_molar": 7.844730945136926,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665903020817368,
"spacegroup": 5
},
{
"id": "jvasp-41631",
"created_at": "2022-09-04T14:37:36.829836Z",
"updated_at": "2022-09-04T14:37:36.829860Z",
"structure_string": "Ti1 Mn2 Al1\n1.0\n-0.000000 2.972353 2.972353\n2.972353 -0.000000 2.972353\n2.972353 2.972353 -0.000000\nTi Mn Al\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250001 0.250001 0.250001 Al\n",
"nsites": 4,
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"elements": [
"Ti",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Ti",
"density": 5.840402087158493,
"density_atomic": 0.07616033388202105,
"volume": 52.52077815462766,
"volume_molar": 7.90718797179752,
"formula_full": "Ti1 Mn2 Al1",
"formula_reduced": "TiMn2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4149789040229885,
"spacegroup": 225
},
{
"id": "jvasp-85029",
"created_at": "2022-09-04T14:36:31.675589Z",
"updated_at": "2022-09-04T14:36:31.675616Z",
"structure_string": "Ti1 Mn2 Cr1\n1.0\n-8.645423 0.000000 -4.991438\n-8.668261 -0.005469 5.030993\n-5.768650 8.195869 0.008721\nTi Mn Cr\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.772332 -0.000000 -0.000000 Mn\n0.227669 -0.000000 -0.000000 Mn\n0.500000 -0.000000 -0.000000 Cr\n",
"nsites": 4,
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"elements": [
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"Mn",
"Cr"
],
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"density": 0.4896738966313389,
"density_atomic": 0.005623908689703025,
"volume": 711.2491010609248,
"volume_molar": 107.08105505030885,
"formula_full": "Ti1 Mn2 Cr1",
"formula_reduced": "TiMn2Cr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.093190054022989,
"spacegroup": 71
},
{
"id": "jvasp-80008",
"created_at": "2022-09-04T14:36:47.415285Z",
"updated_at": "2022-09-04T14:36:47.415306Z",
"structure_string": "Ti1 Mn2 Ga1\n1.0\n0.000082 2.963609 2.963480\n2.963850 0.000101 2.963462\n2.963728 2.963467 0.000225\nTi Mn Ga\n1 2 1\ndirect\n0.749997 0.750001 0.750004 Ti\n0.500000 0.500015 0.499973 Mn\n0.000004 0.999982 0.000023 Mn\n0.249998 0.250002 0.250003 Ga\n",
"nsites": 4,
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"elements": [
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"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Ti",
"density": 7.256165795130745,
"density_atomic": 0.07684248990480409,
"volume": 52.05453395582807,
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"formula_full": "Ti1 Mn2 Ga1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40131",
"created_at": "2022-09-04T14:37:44.569139Z",
"updated_at": "2022-09-04T14:37:44.569156Z",
"structure_string": "Ti1 Mn2 Ge1\n1.0\n4.148797 -0.000085 -0.001105\n-2.074371 3.593157 0.000864\n-2.073664 -1.198175 3.387930\nTi Mn Ge\n1 2 1\ndirect\n0.500000 -0.000000 0.499999 Ti\n0.999995 0.749988 0.749996 Mn\n0.000005 0.250012 0.250001 Mn\n0.499999 0.499999 -0.000001 Ge\n",
"nsites": 4,
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"Mn",
"Ge"
],
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"density": 7.5758176432248066,
"density_atomic": 0.07921178630837439,
"volume": 50.49753561203447,
"volume_molar": 7.602581687219608,
"formula_full": "Ti1 Mn2 Ge1",
"formula_reduced": "TiMn2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.194082191522989,
"spacegroup": 225
},
{
"id": "jvasp-30375",
"created_at": "2022-09-04T14:37:19.054831Z",
"updated_at": "2022-09-04T14:37:19.054862Z",
"structure_string": "Ti1 Mn2 O6\n1.0\n14.325244 -0.286696 -0.175357\n8.717386 2.607592 -0.120031\n8.717386 1.080864 2.376063\nTi Mn O\n1 2 6\ndirect\n0.666668 -0.000001 -0.000001 Ti\n0.995252 0.003553 0.003552 Mn\n0.338085 0.996445 0.996445 Mn\n0.230030 0.273967 0.273967 O\n0.580644 0.261611 0.261611 O\n0.103305 0.726031 0.726032 O\n0.923985 0.253051 0.253050 O\n0.409352 0.746947 0.746947 O\n0.752693 0.738386 0.738386 O\n",
"nsites": 9,
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"O"
],
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"volume": 99.18708182769979,
"volume_molar": 6.636872981556068,
"formula_full": "Ti1 Mn2 O6",
"formula_reduced": "TiMn2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2773937573435505,
"spacegroup": 12
}
]
}