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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=645",
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"results": [
{
"id": "jvasp-75588",
"created_at": "2022-09-04T14:35:51.781326Z",
"updated_at": "2022-09-04T14:35:51.781344Z",
"structure_string": "Ti2 Mo1 As1\n1.0\n-0.000000 3.136402 3.136402\n3.136402 0.000000 3.136402\n3.136402 3.136402 -0.000000\nTi Mo As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Mo\n0.500000 0.500000 0.500000 As\n",
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{
"id": "jvasp-110046",
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"updated_at": "2022-09-04T14:38:16.633635Z",
"structure_string": "Ti2 Mn1 Tc1\n1.0\n3.720786 -0.000000 2.148197\n1.240262 3.507991 2.148197\n-0.000000 -0.000000 4.296394\nTi Mn Tc\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Tc\n",
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"formula_full": "Ti2 Mn1 Tc1",
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{
"id": "jvasp-37059",
"created_at": "2022-09-04T14:38:02.526255Z",
"updated_at": "2022-09-04T14:38:02.526288Z",
"structure_string": "Ti2 Mn1 Sn1\n1.0\n3.160014 3.160014 -0.000000\n3.160014 -0.000000 -3.160014\n0.000000 3.160014 -3.160014\nTi Mn Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.499999 0.499999 0.499999 Mn\n0.250000 0.250000 0.250000 Sn\n",
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"elements": [
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"Mn",
"Sn"
],
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"density_atomic": 0.06338156749380679,
"volume": 63.109830794116164,
"volume_molar": 9.501407109548753,
"formula_full": "Ti2 Mn1 Sn1",
"formula_reduced": "Ti2MnSn",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-37047",
"created_at": "2022-09-04T14:38:07.452778Z",
"updated_at": "2022-09-04T14:38:07.452807Z",
"structure_string": "Ti2 Mn1 Si1\n1.0\n3.006863 3.006863 -0.000000\n3.006863 0.000000 -3.006863\n0.000000 3.006863 -3.006863\nTi Mn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
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"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 5.459370393999089,
"density_atomic": 0.07356802082955614,
"volume": 54.37145046034716,
"volume_molar": 8.185813199939435,
"formula_full": "Ti2 Mn1 Si1",
"formula_reduced": "Ti2MnSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.669318127011494,
"spacegroup": 216
},
{
"id": "jvasp-79210",
"created_at": "2022-09-04T14:37:12.395681Z",
"updated_at": "2022-09-04T14:37:12.395700Z",
"structure_string": "Ti2 Mn1 Si1\n1.0\n-3.007021 -3.007021 -0.000000\n-3.007021 0.000000 -3.007021\n-0.000000 -3.007021 -3.007021\nTi Mn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
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"elements": [
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"Si"
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"density": 5.458509872705881,
"density_atomic": 0.0735564248315098,
"volume": 54.38002199213054,
"volume_molar": 8.187103674212644,
"formula_full": "Ti2 Mn1 Si1",
"formula_reduced": "Ti2MnSi",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-41582",
"created_at": "2022-09-04T14:37:34.917646Z",
"updated_at": "2022-09-04T14:37:34.917668Z",
"structure_string": "Ti2 Mn1 Ru1\n1.0\n0.000000 3.027398 3.027398\n3.027398 -0.000000 3.027398\n3.027398 3.027398 0.000000\nTi Mn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500001 Ti\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
],
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"density": 7.532971053115162,
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"volume": 55.49304483991152,
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"formula_full": "Ti2 Mn1 Ru1",
"formula_reduced": "Ti2MnRu",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-40090",
"created_at": "2022-09-04T14:37:44.613619Z",
"updated_at": "2022-09-04T14:37:44.613638Z",
"structure_string": "Ti2 Mn1 Rh1\n1.0\n0.000001 3.032549 3.032547\n3.032545 -0.000000 3.032548\n3.032542 3.032547 0.000003\nTi Mn Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.249999 0.249999 0.249999 Mn\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 4,
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"elements": [
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"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Ti",
"density": 7.54932019858632,
"density_atomic": 0.07171466052943928,
"volume": 55.77660091353255,
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"formula_full": "Ti2 Mn1 Rh1",
"formula_reduced": "Ti2MnRh",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-79405",
"created_at": "2022-09-04T14:37:12.381465Z",
"updated_at": "2022-09-04T14:37:12.381494Z",
"structure_string": "Ti2 Mn1 Re1\n1.0\n0.000031 3.053913 3.053913\n3.053913 0.000031 3.053913\n3.053913 3.053913 0.000031\nTi Mn Re\n2 1 1\ndirect\n-0.000001 -0.000001 -0.000001 Ti\n0.500007 0.500007 0.500007 Ti\n0.249998 0.249998 0.249998 Mn\n0.749998 0.749998 0.749998 Re\n",
"nsites": 4,
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"elements": [
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"Mn",
"Re"
],
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"density": 9.820412484548111,
"density_atomic": 0.07022093799113867,
"volume": 56.9630670627722,
"volume_molar": 8.575990199333347,
"formula_full": "Ti2 Mn1 Re1",
"formula_reduced": "Ti2MnRe",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-77506",
"created_at": "2022-09-04T14:37:08.107605Z",
"updated_at": "2022-09-04T14:37:08.107640Z",
"structure_string": "Ti2 Mn1 Pt1\n1.0\n-8.212823 0.000001 -4.741677\n-5.460734 0.256131 -0.025083\n-4.678594 2.468358 -1.379790\nTi Mn Pt\n2 1 1\ndirect\n0.768823 -0.000001 -0.000000 Ti\n0.231177 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Mn",
"Pt"
],
"chemical_system": "Mn-Pt-Ti",
"density": 9.470350337436598,
"density_atomic": 0.06597921699187144,
"volume": 60.625151106185385,
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"formula_full": "Ti2 Mn1 Pt1",
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"spacegroup": 71
},
{
"id": "jvasp-39725",
"created_at": "2022-09-04T14:37:41.136762Z",
"updated_at": "2022-09-04T14:37:41.136771Z",
"structure_string": "Ti2 Mn1 Os1\n1.0\n-0.000001 3.041038 3.041033\n3.041036 0.000000 3.041032\n3.041034 3.041034 0.000002\nTi Mn Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500001 Ti\n0.249999 0.250001 0.250000 Mn\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
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"elements": [
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"Mn",
"Os"
],
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"density": 10.064326981368819,
"density_atomic": 0.071115787829802,
"volume": 56.246300885719045,
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"formula_full": "Ti2 Mn1 Os1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-56656",
"created_at": "2022-09-04T14:38:33.033431Z",
"updated_at": "2022-09-04T14:38:33.033461Z",
"structure_string": "Ti4 Mn2 O8\n1.0\n5.243260 0.000000 3.027197\n1.747753 4.943393 3.027197\n-0.000000 -0.000000 6.054395\nTi Mn O\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Ti\n0.500000 -0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.125000 0.125000 0.125000 Mn\n0.875000 0.874999 0.875001 Mn\n0.740018 0.740018 0.279945 O\n0.259981 0.259981 0.259982 O\n0.259981 0.259981 0.720056 O\n0.279944 0.740018 0.740019 O\n0.740018 0.279944 0.740018 O\n0.259981 0.720056 0.259982 O\n0.740018 0.740018 0.740019 O\n0.720056 0.259981 0.259982 O\n",
"nsites": 14,
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"formula_full": "Ti4 Mn2 O8",
"formula_reduced": "Ti2MnO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-119260",
"created_at": "2022-09-04T14:38:28.602372Z",
"updated_at": "2022-09-04T14:38:28.602391Z",
"structure_string": "Ti8 Mn4 O16\n1.0\n5.789204 -0.001064 1.741586\n3.157638 5.155304 -0.000176\n0.006886 -0.003913 10.470993\nTi Mn O\n8 4 16\ndirect\n0.499997 0.500001 0.000004 Ti\n0.500003 -0.000001 0.499996 Ti\n0.500026 0.249959 0.250005 Ti\n0.499974 0.750042 0.749994 Ti\n0.500026 0.750012 0.250006 Ti\n0.499973 0.249989 0.749994 Ti\n0.999982 0.750007 0.250004 Ti\n0.000019 0.249993 0.749996 Ti\n0.875014 0.812495 0.937470 Mn\n0.124987 0.187505 0.062527 Mn\n0.874981 0.312508 0.437526 Mn\n0.125017 0.687494 0.562475 Mn\n0.740062 0.610151 0.870039 O\n0.740096 0.110155 0.370051 O\n0.259897 0.350256 0.629951 O\n0.259925 0.850220 0.129967 O\n0.740073 0.149785 0.870033 O\n0.740106 0.649741 0.370048 O\n0.279747 0.610134 0.870047 O\n0.740069 0.379962 0.639885 O\n0.259868 0.120075 0.860157 O\n0.259931 0.620039 0.360114 O\n0.259907 0.889847 0.629947 O\n0.259935 0.389848 0.129961 O\n0.720257 0.389865 0.129954 O\n0.740131 0.879927 0.139843 O\n0.279704 0.110152 0.370056 O\n0.720293 0.889850 0.629943 O\n",
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"formula_full": "Ti8 Mn4 O16",
"formula_reduced": "Ti2MnO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
}
]
}