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{
"id": "jvasp-85326",
"created_at": "2022-09-04T14:35:50.766160Z",
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"structure_string": "Eu1 Cd1\n1.0\n3.765430 -0.000000 0.000000\n-0.000000 3.765430 -0.000000\n0.000000 -0.000000 3.765430\nEu Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Cd\n",
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{
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"structure_string": "Ce1 Mg6 Cu1\n1.0\n6.890046 -0.405215 0.000000\n-3.795949 5.764347 0.000000\n0.000000 0.000000 4.819581\nCe Mg Cu\n1 6 1\ndirect\n0.297850 0.202151 0.750000 Ce\n0.190738 0.817263 0.250000 Mg\n0.682738 0.309263 0.250000 Mg\n0.697217 0.802785 0.250000 Mg\n0.323914 0.680433 0.750000 Mg\n0.819569 0.176087 0.750000 Mg\n0.853057 0.646946 0.750000 Mg\n0.134923 0.365078 0.250000 Cu\n",
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{
"id": "jvasp-87978",
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"structure_string": "Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n",
"nsites": 28,
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],
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"density_atomic": 0.027513079357017755,
"volume": 1017.6977879016674,
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"formula_full": "Hg12 Te8 I8",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 15
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{
"id": "jvasp-86811",
"created_at": "2022-09-04T14:35:55.637585Z",
"updated_at": "2022-09-04T14:35:55.637617Z",
"structure_string": "Yb4 Cd2 Sb4\n1.0\n4.476422 -0.000000 -1.186928\n0.000000 7.146663 0.000000\n-0.011350 0.000000 8.991926\nYb Cd Sb\n4 2 4\ndirect\n0.479539 0.718562 0.959080 Yb\n0.520460 0.218563 0.040921 Yb\n0.697429 0.533748 0.394858 Yb\n0.302571 0.033748 0.605142 Yb\n0.901971 0.396199 0.803944 Cd\n0.098029 0.896199 0.196057 Cd\n0.319931 0.514608 0.639863 Sb\n0.680068 0.014608 0.360137 Sb\n0.069373 0.494392 0.138747 Sb\n0.930626 0.994392 0.861253 Sb\n",
"nsites": 10,
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"elements": [
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"density": 8.107395088701784,
"density_atomic": 0.03477429444692983,
"volume": 287.5687388930729,
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"formula_full": "Yb4 Cd2 Sb4",
"formula_reduced": "Yb2CdSb2",
"formula_anonymous": "AB2C2",
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"spacegroup": 36
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{
"id": "jvasp-93864",
"created_at": "2022-09-04T14:35:56.090133Z",
"updated_at": "2022-09-04T14:35:56.090151Z",
"structure_string": "Yb1 Cu4 Ni1\n1.0\n-3.454727 -3.454727 -0.000000\n-3.454727 0.000000 -3.454727\n-0.000000 -3.454727 -3.454727\nYb Cu Ni\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.873095 0.375636 0.375636 Cu\n0.375636 0.873095 0.375636 Cu\n0.375636 0.375636 0.873095 Cu\n0.375636 0.375636 0.375636 Cu\n0.750001 0.750001 0.750001 Ni\n",
"nsites": 6,
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"elements": [
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"spacegroup": 216
},
{
"id": "jvasp-15490",
"created_at": "2022-09-04T14:35:48.378248Z",
"updated_at": "2022-09-04T14:35:48.378275Z",
"structure_string": "Lu1 In1 Cu2\n1.0\n4.006323 0.000000 2.313052\n1.335441 3.777198 2.313052\n-0.000000 -0.000000 4.626103\nLu In Cu\n1 1 2\ndirect\n0.499999 0.500000 0.499999 Lu\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.749999 0.750000 0.749999 Cu\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.05713851931141406,
"volume": 70.00531424693315,
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"formula_full": "Lu1 In1 Cu2",
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{
"id": "jvasp-105618",
"created_at": "2022-09-04T14:35:55.945358Z",
"updated_at": "2022-09-04T14:35:55.945368Z",
"structure_string": "K2 Rb1 Ga1 Br6\n1.0\n6.948354 -0.000000 4.011634\n2.316118 6.550971 4.011634\n-0.000000 -0.000000 8.023268\nK Rb Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.775992 0.224008 0.224008 Br\n0.224008 0.224008 0.775992 Br\n0.224008 0.775992 0.775992 Br\n0.224008 0.775992 0.224007 Br\n0.775992 0.224008 0.775992 Br\n0.775992 0.775992 0.224007 Br\n",
"nsites": 10,
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"elements": [
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"Rb",
"Ga",
"Br"
],
"chemical_system": "Br-Ga-K-Rb",
"density": 3.2410432144741645,
"density_atomic": 0.027381742847478723,
"volume": 365.2068480703297,
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"formula_full": "K2 Rb1 Ga1 Br6",
"formula_reduced": "K2RbGaBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-94739",
"created_at": "2022-09-04T14:35:50.648697Z",
"updated_at": "2022-09-04T14:35:50.648707Z",
"structure_string": "Mg6 Al1 Ga1\n1.0\n6.172841 -0.025162 0.000000\n-3.108212 5.333254 0.000000\n0.000000 0.000000 5.131996\nMg Al Ga\n6 1 1\ndirect\n0.165814 0.841956 0.250000 Mg\n0.658043 0.334186 0.250000 Mg\n0.665456 0.834544 0.250000 Mg\n0.334623 0.658324 0.750001 Mg\n0.841676 0.165377 0.750001 Mg\n0.834604 0.665396 0.750001 Mg\n0.161371 0.338629 0.250000 Al\n0.338412 0.161588 0.750001 Ga\n",
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"density_atomic": 0.047463446308636796,
"volume": 168.55076110527315,
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"formula_full": "Mg6 Al1 Ga1",
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{
"id": "jvasp-107946",
"created_at": "2022-09-04T14:35:55.948641Z",
"updated_at": "2022-09-04T14:35:55.948662Z",
"structure_string": "Li2 Ca6\n1.0\n7.426781 -0.000000 0.000000\n-3.713390 6.431781 0.000000\n-0.000000 -0.000000 6.060517\nLi Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.168341 0.336683 0.250000 Ca\n0.663317 0.831658 0.250000 Ca\n0.168341 0.831658 0.250000 Ca\n0.831658 0.663317 0.750000 Ca\n0.336683 0.168341 0.750000 Ca\n0.831658 0.168341 0.750000 Ca\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-22726",
"created_at": "2022-09-04T14:36:03.043389Z",
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"structure_string": "Na2 Tl1 Sb1\n1.0\n0.000000 3.781886 3.781886\n3.781886 0.000000 3.781886\n3.781886 3.781886 0.000000\nNa Tl Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500002 0.500002 0.500002 Na\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-86267",
"created_at": "2022-09-04T14:35:48.456402Z",
"updated_at": "2022-09-04T14:35:48.456437Z",
"structure_string": "Eu2 Cl6\n1.0\n7.338511 0.000001 0.000000\n-3.669256 6.355336 0.000000\n0.000000 0.000000 4.144632\nEu Cl\n2 6\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n0.386910 0.300596 0.250000 Cl\n0.913685 0.613091 0.250000 Cl\n0.300595 0.913686 0.750000 Cl\n0.613090 0.699405 0.750000 Cl\n0.086314 0.386910 0.750000 Cl\n0.699405 0.086314 0.250000 Cl\n",
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{
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"structure_string": "Ba4 Tl1 Ge1\n1.0\n-0.000000 4.980828 4.980828\n4.980828 -0.000000 4.980828\n4.980828 4.980828 -0.000000\nBa Tl Ge\n4 1 1\ndirect\n0.127321 0.624227 0.624227 Ba\n0.624227 0.624227 0.624227 Ba\n0.624227 0.127321 0.624227 Ba\n0.624227 0.624227 0.127321 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ge\n",
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}