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{
"id": "jvasp-53480",
"created_at": "2022-09-04T14:38:33.653182Z",
"updated_at": "2022-09-04T14:38:33.653216Z",
"structure_string": "Yb4 Mn2 S8\n1.0\n6.622048 0.458195 -2.621833\n-2.914215 5.963960 -2.621833\n-0.264539 -0.458195 7.117271\nYb Mn S\n4 2 8\ndirect\n0.127618 0.749999 0.877618 Yb\n0.250000 0.627619 0.377619 Yb\n0.372381 0.250000 0.622381 Yb\n0.750000 0.872382 0.122382 Yb\n0.625000 0.375000 0.250001 Mn\n0.875000 0.125000 0.750000 Mn\n0.013156 0.907968 0.544518 S\n0.968638 0.363450 0.455483 S\n0.092032 0.136550 0.105189 S\n0.531362 0.986844 0.394812 S\n0.407968 0.513157 0.044519 S\n0.636550 0.592032 0.605189 S\n0.486843 0.031362 0.894811 S\n0.863450 0.468637 0.955482 S\n",
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{
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"structure_string": "Yb4 Mn2 S8\n1.0\n6.624928 -0.000000 3.824904\n2.208310 6.246042 3.824904\n-0.000000 -0.000000 7.649808\nYb Mn S\n4 2 8\ndirect\n0.500000 0.500000 -0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.875000 0.875000 0.874999 Mn\n0.125000 0.125000 0.125000 Mn\n0.756727 0.756726 0.756726 S\n0.243274 0.243274 0.770179 S\n0.243274 0.770179 0.243273 S\n0.770180 0.243274 0.243273 S\n0.756726 0.229820 0.756726 S\n0.229821 0.756726 0.756726 S\n0.243274 0.243274 0.243274 S\n0.756727 0.756726 0.229820 S\n",
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{
"id": "jvasp-120447",
"created_at": "2022-09-04T14:38:50.726956Z",
"updated_at": "2022-09-04T14:38:50.726990Z",
"structure_string": "Yb2 Mn12 P7\n1.0\n9.356401 -0.000000 0.000000\n-4.678200 8.102881 0.000000\n-0.000000 -0.000000 3.511616\nYb Mn P\n2 12 7\ndirect\n0.333333 0.666667 -0.000000 Yb\n0.666667 0.333333 0.500001 Yb\n0.231392 0.100163 0.500001 Mn\n0.899837 0.131229 0.500001 Mn\n0.868771 0.768608 0.500001 Mn\n0.567142 0.951158 0.500001 Mn\n0.048842 0.615984 0.500001 Mn\n0.384015 0.432857 0.500001 Mn\n0.724652 0.881630 -0.000000 Mn\n0.118370 0.843022 -0.000000 Mn\n0.429414 0.051121 -0.000000 Mn\n0.948879 0.378293 -0.000000 Mn\n0.621707 0.570586 -0.000000 Mn\n0.156978 0.275348 -0.000000 Mn\n0.124166 0.414343 0.500001 P\n0.877625 0.587743 -0.000000 P\n0.710118 0.122374 -0.000000 P\n0.412257 0.289882 -0.000000 P\n0.290177 0.875834 0.500001 P\n0.585657 0.709823 0.500001 P\n0.000000 0.000000 0.000000 P\n",
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"elements": [
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"chemical_system": "Mn-P-Yb",
"density": 7.622884231159379,
"density_atomic": 0.07887947076209197,
"volume": 266.22896676548464,
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"formula_full": "Yb2 Mn12 P7",
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"formula_anonymous": "A2B7C12",
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{
"id": "jvasp-106624",
"created_at": "2022-09-04T14:36:54.900054Z",
"updated_at": "2022-09-04T14:36:54.900072Z",
"structure_string": "Yb2 Mg1 Tl1\n1.0\n4.672723 -0.000000 2.697798\n1.557574 4.405486 2.697798\n-0.000000 -0.000000 5.395596\nYb Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.749999 0.750001 0.750001 Yb\n0.499999 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Tl\n",
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"elements": [
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"density": 8.59287746723798,
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"volume": 111.07166604344131,
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-13989",
"created_at": "2022-09-04T14:37:20.134500Z",
"updated_at": "2022-09-04T14:37:20.134529Z",
"structure_string": "Yb4 Mg2 Si4\n1.0\n7.185922 0.000000 0.000000\n0.000000 7.185922 0.000000\n0.000000 0.000000 4.461190\nYb Mg Si\n4 2 4\ndirect\n0.325958 0.825958 0.500000 Yb\n0.825958 0.674041 0.500000 Yb\n0.174042 0.325958 0.500000 Yb\n0.674041 0.174042 0.500000 Yb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.881359 0.381359 0.000000 Si\n0.381359 0.118641 0.000000 Si\n0.118641 0.618641 0.000000 Si\n0.618641 0.881359 0.000000 Si\n",
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"elements": [
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"chemical_system": "Mg-Si-Yb",
"density": 6.149494687182783,
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"volume": 230.36458705101282,
"volume_molar": 13.872879693404725,
"formula_full": "Yb4 Mg2 Si4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
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{
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"created_at": "2022-09-04T14:37:33.678092Z",
"updated_at": "2022-09-04T14:37:33.678113Z",
"structure_string": "Yb4 Mg2 S8\n1.0\n6.826523 -0.000000 3.941294\n2.275508 6.436107 3.941294\n0.000000 0.000000 7.882590\nYb Mg S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Yb\n0.500000 -0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.500000 -0.000001 Yb\n0.875000 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.252081 0.252081 0.743755 S\n0.747918 0.747919 0.747918 S\n0.747918 0.747919 0.256244 S\n0.252081 0.743755 0.252081 S\n0.252081 0.252081 0.252081 S\n0.256245 0.747919 0.747918 S\n0.747918 0.256245 0.747918 S\n0.743755 0.252081 0.252081 S\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Mg-S-Yb",
"density": 4.781661298927871,
"density_atomic": 0.04042372066924869,
"volume": 346.3313066738595,
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"formula_full": "Yb4 Mg2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-79899",
"created_at": "2022-09-04T14:37:12.733625Z",
"updated_at": "2022-09-04T14:37:12.733644Z",
"structure_string": "Yb2 Mg1 In1\n1.0\n-0.000000 3.809027 3.809027\n3.809027 0.000000 3.809027\n3.809027 3.809027 -0.000000\nYb Mg In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 In\n",
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"elements": [
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"formula_full": "Yb2 Mg1 In1",
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"spacegroup": 225
},
{
"id": "jvasp-109319",
"created_at": "2022-09-04T14:38:19.273454Z",
"updated_at": "2022-09-04T14:38:19.273480Z",
"structure_string": "Yb4 Mg2\n1.0\n6.183083 -0.014830 0.000000\n-3.138630 5.327263 0.000000\n-0.000000 -0.000000 5.797914\nYb Mg\n4 2\ndirect\n0.657205 0.977817 0.250000 Yb\n0.022182 0.342794 0.750000 Yb\n0.977817 0.657205 0.250000 Yb\n0.342794 0.022182 0.750000 Yb\n0.669362 0.669362 0.750000 Mg\n0.330637 0.330637 0.250000 Mg\n",
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"spacegroup": 63
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{
"id": "jvasp-93501",
"created_at": "2022-09-04T14:35:55.604365Z",
"updated_at": "2022-09-04T14:35:55.604392Z",
"structure_string": "Yb4 Mg2\n1.0\n3.708238 0.000000 0.000000\n-1.854119 2.340288 5.655269\n0.000000 -6.644521 6.669875\nYb Mg\n4 2\ndirect\n0.022358 0.044715 0.936027 Yb\n0.699865 0.399730 0.119526 Yb\n0.369879 0.739759 0.321532 Yb\n0.352343 0.704686 0.734023 Yb\n0.054524 0.109049 0.442991 Mg\n0.667697 0.335394 0.612565 Mg\n",
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{
"id": "jvasp-102135",
"created_at": "2022-09-04T14:36:43.109056Z",
"updated_at": "2022-09-04T14:36:43.109071Z",
"structure_string": "Yb4 Mg2\n1.0\n9.281897 0.040467 -0.000000\n-8.557245 3.595665 0.000000\n-0.000000 -0.000000 5.786737\nYb Mg\n4 2\ndirect\n0.593299 0.406703 0.750000 Yb\n0.280356 0.719646 0.750000 Yb\n0.406703 0.593299 0.250000 Yb\n0.719646 0.280356 0.250000 Yb\n0.937844 0.062158 0.750000 Mg\n0.062158 0.937844 0.250000 Mg\n",
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{
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"created_at": "2022-09-04T14:36:04.591988Z",
"updated_at": "2022-09-04T14:36:04.592015Z",
"structure_string": "Y1 B2 Ir3\n1.0\n0.077608 0.000000 3.169715\n-5.462882 0.000000 0.134150\n-2.731442 -4.732094 0.067075\nY B Ir\n1 2 3\ndirect\n0.500001 0.500000 0.000000 Y\n0.500002 0.166668 0.666662 B\n0.500001 0.833331 0.333337 B\n0.000000 0.000000 0.000000 Ir\n0.000001 0.500000 0.500000 Ir\n0.000001 0.000000 0.500000 Ir\n",
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{
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"created_at": "2022-09-04T14:37:56.315645Z",
"updated_at": "2022-09-04T14:37:56.315664Z",
"structure_string": "Yb2 In1 Sn1\n1.0\n-0.000000 3.782738 3.782738\n3.782738 -0.000000 3.782738\n3.782738 3.782738 -0.000000\nYb In Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 Sn\n",
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]
}