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{
"id": "jvasp-100822",
"created_at": "2022-09-04T14:36:40.742943Z",
"updated_at": "2022-09-04T14:36:40.742963Z",
"structure_string": "Mn3 Ga1\n1.0\n2.599086 0.000000 0.000000\n-1.299543 2.250874 0.000000\n0.000000 0.000000 8.030137\nMn Ga\n3 1\ndirect\n0.333334 0.666666 0.500000 Mn\n0.000000 0.000000 0.262390 Mn\n0.000000 0.000000 0.737610 Mn\n0.333334 0.666666 -0.000000 Ga\n",
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"volume": 46.97802874181577,
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"formula_full": "Mn3 Ga1",
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{
"id": "jvasp-35990",
"created_at": "2022-09-04T14:37:28.118011Z",
"updated_at": "2022-09-04T14:37:28.118038Z",
"structure_string": "Mn1 Ga1\n1.0\n2.700894 0.000000 0.000000\n0.000000 2.700894 -0.000000\n0.000000 -0.000000 3.645836\nMn Ga\n1 1\ndirect\n0.499999 0.499999 0.500001 Mn\n0.000000 0.000000 0.000000 Ga\n",
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"elements": [
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"formula_full": "Mn1 Ga1",
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"spacegroup": 123
},
{
"id": "jvasp-78840",
"created_at": "2022-09-04T14:37:01.814799Z",
"updated_at": "2022-09-04T14:37:01.814824Z",
"structure_string": "Mn3 Ge1\n1.0\n-2.873654 -2.873654 -0.000000\n-2.873654 -0.000000 -2.873654\n0.000000 -2.873654 -2.873654\nMn Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.749999 0.749999 0.749999 Mn\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ge"
],
"chemical_system": "Ge-Mn",
"density": 8.307979387080525,
"density_atomic": 0.08428039598883781,
"volume": 47.46062180972387,
"volume_molar": 7.145363627382077,
"formula_full": "Mn3 Ge1",
"formula_reduced": "Mn3Ge",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-17718",
"created_at": "2022-09-04T14:38:17.717605Z",
"updated_at": "2022-09-04T14:38:17.717625Z",
"structure_string": "Mn4 Ge2\n1.0\n2.089547 -3.619201 -0.000000\n2.089547 3.619201 -0.000000\n0.000000 0.000000 5.075365\nMn Ge\n4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333334 0.666668 0.250000 Mn\n0.666668 0.333334 0.749999 Mn\n0.333334 0.666668 0.749999 Ge\n0.666668 0.333334 0.250000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 7.896199748558319,
"density_atomic": 0.07816082358217474,
"volume": 76.76480012639416,
"volume_molar": 7.704807196240191,
"formula_full": "Mn4 Ge2",
"formula_reduced": "Mn2Ge",
"formula_anonymous": "AB2",
"energy_above_hull": 2.75953681091954,
"spacegroup": 194
},
{
"id": "jvasp-93387",
"created_at": "2022-09-04T14:35:53.618144Z",
"updated_at": "2022-09-04T14:35:53.618170Z",
"structure_string": "Mn2 Ge4\n1.0\n-1.925415 -3.787392 -2.391282\n0.018633 0.036652 4.875254\n-2.807655 3.787392 -1.241986\nMn Ge\n2 4\ndirect\n0.750001 0.750001 0.000001 Mn\n0.250000 0.250000 0.000000 Mn\n0.344739 0.155260 0.500000 Ge\n0.844740 0.344740 0.189479 Ge\n0.155261 0.655260 0.810521 Ge\n0.655262 0.844739 0.500001 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 7.644837353382763,
"density_atomic": 0.06898222382296267,
"volume": 86.97892975150407,
"volume_molar": 8.729989301961822,
"formula_full": "Mn2 Ge4",
"formula_reduced": "MnGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7389197137931034,
"spacegroup": 140
},
{
"id": "jvasp-41263",
"created_at": "2022-09-04T14:37:36.995649Z",
"updated_at": "2022-09-04T14:37:36.995672Z",
"structure_string": "Mn3 Ge1\n1.0\n0.000000 2.873677 2.873677\n2.873677 -0.000000 2.873677\n2.873677 2.873677 0.000000\nMn Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.250001 0.250001 0.250001 Mn\n0.750001 0.750001 0.750001 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 8.307779905374824,
"density_atomic": 0.08427837234429493,
"volume": 47.46176140729387,
"volume_molar": 7.145535197806486,
"formula_full": "Mn3 Ge1",
"formula_reduced": "Mn3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 3.3611194185344826,
"spacegroup": 225
},
{
"id": "jvasp-36268",
"created_at": "2022-09-04T14:37:16.915179Z",
"updated_at": "2022-09-04T14:37:16.915204Z",
"structure_string": "Mn2 Ge1\n1.0\n2.728793 2.728793 0.000000\n2.728793 0.000000 -2.728793\n0.000000 2.728793 -2.728793\nMn Ge\n2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 Mn\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 7.457761341140142,
"density_atomic": 0.07382092488342178,
"volume": 40.63888395786979,
"volume_molar": 8.157769317453258,
"formula_full": "Mn2 Ge1",
"formula_reduced": "Mn2Ge",
"formula_anonymous": "AB2",
"energy_above_hull": 2.78525681091954,
"spacegroup": 216
},
{
"id": "jvasp-90659",
"created_at": "2022-09-04T14:35:59.493627Z",
"updated_at": "2022-09-04T14:35:59.493661Z",
"structure_string": "Mn6 Ge2\n1.0\n0.000000 -0.000000 -4.159790\n-2.576363 -4.462672 0.000000\n-2.576363 4.462672 -0.000000\nMn Ge\n6 2\ndirect\n0.750000 0.160365 0.320702 Mn\n0.750000 0.160376 0.839623 Mn\n0.750000 0.679297 0.839634 Mn\n0.250000 0.839634 0.679297 Mn\n0.250000 0.839623 0.160376 Mn\n0.250000 0.320702 0.160365 Mn\n0.750000 0.666672 0.333327 Ge\n0.250000 0.333327 0.666672 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Ge"
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"density": 8.244330740267852,
"density_atomic": 0.08363471153205308,
"volume": 95.65406340803833,
"volume_molar": 7.200527926364652,
"formula_full": "Mn6 Ge2",
"formula_reduced": "Mn3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 3.377454418534483,
"spacegroup": 194
},
{
"id": "jvasp-90797",
"created_at": "2022-09-04T14:35:59.313258Z",
"updated_at": "2022-09-04T14:35:59.313277Z",
"structure_string": "Mn4 Ge4\n1.0\n4.763334 0.000000 0.000000\n-0.000000 4.763334 0.000000\n-0.000000 -0.000000 4.763334\nMn Ge\n4 4\ndirect\n0.635867 0.135868 0.364132 Mn\n0.135868 0.364132 0.635867 Mn\n0.364132 0.635867 0.135868 Mn\n0.864131 0.864131 0.864131 Mn\n0.342254 0.842254 0.657745 Ge\n0.842254 0.657745 0.342254 Ge\n0.657745 0.342254 0.842254 Ge\n0.157745 0.157745 0.157745 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ge-Mn",
"density": 7.840647458702944,
"density_atomic": 0.07402132970788629,
"volume": 108.07695608239897,
"volume_molar": 8.13568303050681,
"formula_full": "Mn4 Ge4",
"formula_reduced": "MnGe",
"formula_anonymous": "AB",
"energy_above_hull": 1.659436595689655,
"spacegroup": 198
},
{
"id": "jvasp-17612",
"created_at": "2022-09-04T14:38:31.523019Z",
"updated_at": "2022-09-04T14:38:31.523047Z",
"structure_string": "Mn3 Ge1\n1.0\n3.643086 0.000000 -0.000000\n-0.000000 3.643086 -0.000000\n0.000000 0.000000 3.643086\nMn Ge\n3 1\ndirect\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.154936126500875,
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"volume": 48.35131282167352,
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"formula_full": "Mn3 Ge1",
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"spacegroup": 221
},
{
"id": "jvasp-18401",
"created_at": "2022-09-04T14:35:40.851354Z",
"updated_at": "2022-09-04T14:35:40.851379Z",
"structure_string": "Mn2 H2\n1.0\n1.301862 -2.254892 -0.000000\n1.301862 2.254892 -0.000000\n0.000000 0.000000 5.078336\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750001 H\n",
"nsites": 4,
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"elements": [
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"density": 6.2316907582739995,
"density_atomic": 0.13415839914905808,
"volume": 29.81550186474541,
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"formula_full": "Mn2 H2",
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},
{
"id": "jvasp-5293",
"created_at": "2022-09-04T14:37:15.163650Z",
"updated_at": "2022-09-04T14:37:15.163679Z",
"structure_string": "Mn2 H2\n1.0\n1.301863 -2.254894 0.000000\n1.301863 2.254894 0.000000\n0.000000 0.000000 5.078339\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n",
"nsites": 4,
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]
}