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{
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"updated_at": "2022-09-04T14:35:50.651436Z",
"structure_string": "Mn4 Te4\n1.0\n0.000000 7.000130 0.035409\n4.041335 0.000000 0.000000\n0.000000 -2.200137 -6.713653\nMn Te\n4 4\ndirect\n0.789983 0.000000 0.505670 Mn\n0.625107 0.000000 0.104826 Mn\n0.374895 0.500001 0.895172 Mn\n0.210022 0.500001 0.494332 Mn\n0.984155 0.500001 0.751224 Te\n0.493286 0.000000 0.718897 Te\n0.015839 0.000000 0.248773 Te\n0.506713 0.500001 0.281104 Te\n",
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{
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"updated_at": "2022-09-04T14:38:04.112564Z",
"structure_string": "Mn3 Te1\n1.0\n3.656880 -0.000000 2.111301\n1.218960 3.447740 2.111301\n-0.000000 -0.000000 4.222601\nMn Te\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.749999 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:37:45.218519Z",
"updated_at": "2022-09-04T14:37:45.218531Z",
"structure_string": "Mn1 Te1\n1.0\n3.516144 0.000000 2.030047\n1.172048 3.315052 2.030047\n0.000000 -0.000000 4.060093\nMn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500001 Te\n",
"nsites": 2,
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"elements": [
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"density": 6.4048581058995175,
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"volume": 47.32525683653984,
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"formula_full": "Mn1 Te1",
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},
{
"id": "jvasp-14699",
"created_at": "2022-09-04T14:36:03.948176Z",
"updated_at": "2022-09-04T14:36:03.948197Z",
"structure_string": "Mn2 Te2\n1.0\n2.103543 -3.643443 -0.000000\n2.103543 3.643443 0.000000\n-0.000000 0.000000 5.948124\nMn Te\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666666 0.750000 Te\n0.666666 0.333333 0.250000 Te\n",
"nsites": 4,
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"elements": [
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"density": 6.6490424394108265,
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"volume": 91.17449847113551,
"volume_molar": 13.72664158788957,
"formula_full": "Mn2 Te2",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.719742504022988,
"spacegroup": 194
},
{
"id": "jvasp-23696",
"created_at": "2022-09-04T14:38:17.412916Z",
"updated_at": "2022-09-04T14:38:17.412936Z",
"structure_string": "Mn4 Te8\n1.0\n6.390048 -0.000000 -0.000000\n-0.000000 6.390048 -0.000000\n0.000000 0.000000 6.390048\nMn Te\n4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.366413 0.366413 0.366413 Te\n0.133587 0.633587 0.866413 Te\n0.866413 0.133587 0.633587 Te\n0.633587 0.866413 0.133587 Te\n0.633587 0.633587 0.633587 Te\n0.866413 0.366413 0.133587 Te\n0.133587 0.866413 0.366413 Te\n0.366413 0.133587 0.866413 Te\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Mn-Te",
"density": 7.894993419492474,
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"volume": 260.9229988665678,
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"formula_full": "Mn4 Te8",
"formula_reduced": "MnTe2",
"formula_anonymous": "AB2",
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"spacegroup": 205
},
{
"id": "jvasp-90831",
"created_at": "2022-09-04T14:35:49.158849Z",
"updated_at": "2022-09-04T14:35:49.158877Z",
"structure_string": "Mn4 Te4\n1.0\n-0.000000 -4.207326 0.000000\n-5.949028 0.000000 0.000000\n0.000000 0.000000 -7.287025\nMn Te\n4 4\ndirect\n0.750001 0.499990 0.749991 Mn\n0.750001 -0.000010 0.750008 Mn\n0.250000 0.500010 0.250009 Mn\n0.250000 0.000010 0.249992 Mn\n0.750001 0.250017 0.083358 Te\n0.750001 0.750017 0.416642 Te\n0.250000 0.749984 0.916642 Te\n0.250000 0.249984 0.583357 Te\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.04386191110301015,
"volume": 182.39059354281022,
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"formula_full": "Mn4 Te4",
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"spacegroup": 194
},
{
"id": "jvasp-91526",
"created_at": "2022-09-04T14:36:00.761296Z",
"updated_at": "2022-09-04T14:36:00.761321Z",
"structure_string": "Mn4 Te4\n1.0\n0.000000 -4.062468 0.000000\n-8.121745 0.000000 0.000000\n0.000000 -0.000000 -5.747937\nMn Te\n4 4\ndirect\n0.750000 0.374985 0.250081 Mn\n0.750000 0.874985 0.249919 Mn\n0.250000 0.625014 0.749919 Mn\n0.250000 0.125014 0.750082 Mn\n0.750000 0.375013 0.750043 Te\n0.750000 0.875013 0.749957 Te\n0.250000 0.624987 0.249957 Te\n0.250000 0.124987 0.250043 Te\n",
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"formula_full": "Mn4 Te4",
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"spacegroup": 225
},
{
"id": "jvasp-36328",
"created_at": "2022-09-04T14:37:19.994093Z",
"updated_at": "2022-09-04T14:37:19.994125Z",
"structure_string": "Mn1 Te1\n1.0\n3.163034 3.163034 -0.000000\n3.163034 0.000000 -3.163034\n-0.000000 3.163034 -3.163034\nMn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 Te\n",
"nsites": 2,
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"elements": [
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"volume": 63.29094444801465,
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"formula_full": "Mn1 Te1",
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"spacegroup": 216
},
{
"id": "jvasp-80098",
"created_at": "2022-09-04T14:37:14.655173Z",
"updated_at": "2022-09-04T14:37:14.655208Z",
"structure_string": "Mn2 Te2\n1.0\n-2.103306 -3.643735 0.000000\n-2.103306 3.643735 -0.000000\n0.000000 -0.000000 -5.948272\nMn Te\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666661 0.333340 0.750000 Te\n0.333340 0.666661 0.250000 Te\n",
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"formula_full": "Mn2 Te2",
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"spacegroup": 194
},
{
"id": "jvasp-35779",
"created_at": "2022-09-04T14:37:19.394027Z",
"updated_at": "2022-09-04T14:37:19.394059Z",
"structure_string": "Mn1 Sn1\n1.0\n2.745690 2.745690 0.000000\n2.745690 -0.000000 -2.745690\n0.000000 2.745690 -2.745690\nMn Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-36320",
"created_at": "2022-09-04T14:37:18.437527Z",
"updated_at": "2022-09-04T14:37:18.437550Z",
"structure_string": "Mn1 Sn1\n1.0\n3.161351 -0.000000 -0.000000\n0.000000 3.161351 -0.000000\n0.000000 -0.000000 3.161351\nMn Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-35684",
"created_at": "2022-09-04T14:37:16.862970Z",
"updated_at": "2022-09-04T14:37:16.862999Z",
"structure_string": "Mn3 Sn1\n1.0\n3.014031 3.014031 -0.000000\n3.014031 -0.000000 -3.014031\n-0.000000 3.014031 -3.014031\nMn Sn\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Mn3 Sn1",
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}