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{
"id": "jvasp-36972",
"created_at": "2022-09-04T14:37:59.777009Z",
"updated_at": "2022-09-04T14:37:59.777040Z",
"structure_string": "Rb2 Sn2 Cl6\n1.0\n6.625748 -0.205987 3.325474\n1.963353 6.331526 3.325474\n-0.288831 -0.205987 7.407827\nRb Sn Cl\n2 2 6\ndirect\n0.261926 0.261926 0.261926 Rb\n0.761926 0.761926 0.761925 Rb\n0.009852 0.009852 0.009852 Sn\n0.509852 0.509852 0.509851 Sn\n0.210439 0.866958 0.679326 Cl\n0.866958 0.679327 0.210438 Cl\n0.679327 0.210438 0.866958 Cl\n0.179327 0.366958 0.710439 Cl\n0.710439 0.179326 0.366958 Cl\n0.366958 0.710439 0.179326 Cl\n",
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{
"id": "jvasp-58844",
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"updated_at": "2022-09-04T14:37:53.294355Z",
"structure_string": "Hg8 As4 Cl8\n1.0\n8.191866 -0.002150 0.920134\n3.903114 7.202247 0.920134\n-0.008533 -0.005080 8.970806\nHg As Cl\n8 4 8\ndirect\n0.219371 0.219371 0.518477 Hg\n0.723869 0.723869 0.956779 Hg\n0.276132 0.276132 0.043220 Hg\n0.229216 0.734781 0.756283 Hg\n0.265219 0.770784 0.243717 Hg\n0.770784 0.265219 0.243717 Hg\n0.734781 0.229216 0.756283 Hg\n0.780629 0.780629 0.481523 Hg\n0.556295 0.556296 0.091900 As\n0.443705 0.443705 0.908100 As\n0.957332 0.957333 0.389381 As\n0.042668 0.042668 0.610618 As\n0.607788 0.607789 0.521317 Cl\n0.392212 0.392212 0.478682 Cl\n0.109495 0.109494 0.984499 Cl\n0.890505 0.890506 0.015500 Cl\n0.994364 0.543333 0.739015 Cl\n0.456667 0.005636 0.260984 Cl\n0.005636 0.456667 0.260984 Cl\n0.543333 0.994364 0.739016 Cl\n",
"nsites": 20,
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"elements": [
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],
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"volume": 529.4280319565818,
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"formula_full": "Hg8 As4 Cl8",
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"formula_anonymous": "AB2C2",
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"spacegroup": 12
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{
"id": "jvasp-29624",
"created_at": "2022-09-04T14:38:02.623607Z",
"updated_at": "2022-09-04T14:38:02.623633Z",
"structure_string": "Yb1 I2\n1.0\n4.433452 0.000000 -0.000000\n-2.216726 3.839482 0.000000\n0.000000 -0.000000 6.939221\nYb I\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666666 0.333333 0.745712 I\n0.333332 0.666667 0.254288 I\n",
"nsites": 3,
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],
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"density_atomic": 0.025397787717237465,
"volume": 118.12052425195685,
"volume_molar": 23.71128078967593,
"formula_full": "Yb1 I2",
"formula_reduced": "YbI2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-38935",
"created_at": "2022-09-04T14:37:59.730160Z",
"updated_at": "2022-09-04T14:37:59.730180Z",
"structure_string": "Mg2 Zn1 Pt1\n1.0\n0.000000 3.202590 3.202590\n3.202590 0.000000 3.202590\n3.202590 3.202590 0.000000\nMg Zn Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.750001 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pt"
],
"chemical_system": "Mg-Pt-Zn",
"density": 7.813008417465576,
"density_atomic": 0.06088719483835792,
"volume": 65.69525843026794,
"volume_molar": 9.890652338291254,
"formula_full": "Mg2 Zn1 Pt1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-40528",
"created_at": "2022-09-04T14:37:53.320092Z",
"updated_at": "2022-09-04T14:37:53.320124Z",
"structure_string": "Li1 Ca2 Ga1\n1.0\n0.000000 3.708005 3.708005\n3.708005 -0.000000 3.708005\n3.708005 3.708005 0.000000\nLi Ca Ga\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Li\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250001 0.250001 0.250001 Ga\n",
"nsites": 4,
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"elements": [
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"density": 2.553874889716771,
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"volume": 101.9649543024762,
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"formula_full": "Li1 Ca2 Ga1",
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"spacegroup": 225
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{
"id": "jvasp-37490",
"created_at": "2022-09-04T14:38:02.612240Z",
"updated_at": "2022-09-04T14:38:02.612257Z",
"structure_string": "Yb2 Ga1 Hg1\n1.0\n-0.000000 3.634133 3.634133\n3.634133 -0.000000 3.634133\n3.634133 3.634133 0.000000\nYb Ga Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Ga\n0.749999 0.749999 0.749999 Hg\n",
"nsites": 4,
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"Ga",
"Hg"
],
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"density": 10.662875732104135,
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"volume": 95.99142694658364,
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"formula_full": "Yb2 Ga1 Hg1",
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{
"id": "jvasp-41553",
"created_at": "2022-09-04T14:37:45.923811Z",
"updated_at": "2022-09-04T14:37:45.923833Z",
"structure_string": "Yb1 Zn1 Au2\n1.0\n0.000000 3.380843 3.380843\n3.380843 -0.000000 3.380843\n3.380843 3.380843 0.000000\nYb Zn Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Au\n0.499999 0.499999 0.499999 Au\n",
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"Zn",
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"density": 13.587003462983379,
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"volume": 77.28674302835988,
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"formula_full": "Yb1 Zn1 Au2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41237",
"created_at": "2022-09-04T14:37:53.436219Z",
"updated_at": "2022-09-04T14:37:53.436239Z",
"structure_string": "Ac1 Mg5\n1.0\n3.078912 -5.332831 -0.000000\n3.078912 5.332831 0.000000\n-0.000000 -0.000000 4.970926\nAc Mg\n1 5\ndirect\n-0.000000 0.000000 0.500000 Ac\n0.499817 0.499817 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.500182 -0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Mg\n-0.000000 0.500182 -0.000000 Mg\n",
"nsites": 6,
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"elements": [
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],
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"volume": 163.23842313287815,
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"formula_full": "Ac1 Mg5",
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"spacegroup": 191
},
{
"id": "jvasp-16778",
"created_at": "2022-09-04T14:38:02.680171Z",
"updated_at": "2022-09-04T14:38:02.680198Z",
"structure_string": "Li2 Cd1 Sn1\n1.0\n4.106643 -0.000000 2.370972\n1.368881 3.871780 2.370972\n-0.000000 -0.000000 4.741942\nLi Cd Sn\n2 1 1\ndirect\n0.749999 0.750000 0.749999 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"Sn"
],
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"volume": 75.39696426713108,
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},
{
"id": "jvasp-38098",
"created_at": "2022-09-04T14:38:00.012523Z",
"updated_at": "2022-09-04T14:38:00.012544Z",
"structure_string": "Na1 Tl2 Ga1 F6\n1.0\n0.000000 4.232797 4.232797\n4.232797 -0.000000 4.232797\n4.232797 4.232797 0.000000\nNa Tl Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Tl\n0.750001 0.750001 0.750001 Tl\n0.000000 0.000000 0.000000 Ga\n0.228298 0.771703 0.771703 F\n0.228298 0.771703 0.228298 F\n0.771703 0.228298 0.771703 F\n0.771703 0.771703 0.228298 F\n0.228298 0.228298 0.771703 F\n0.771703 0.228298 0.228298 F\n",
"nsites": 10,
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"formula_full": "Na1 Tl2 Ga1 F6",
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{
"id": "jvasp-38256",
"created_at": "2022-09-04T14:37:53.456404Z",
"updated_at": "2022-09-04T14:37:53.456430Z",
"structure_string": "Nd1 Sm1 Hg2\n1.0\n0.000000 3.790906 3.790906\n3.790906 -0.000000 3.790906\n3.790906 3.790906 0.000000\nNd Sm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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{
"id": "jvasp-39776",
"created_at": "2022-09-04T14:37:45.927209Z",
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"structure_string": "Yb1 Nd1 Zn2\n1.0\n0.000000 3.620942 3.620942\n3.620942 -0.000000 3.620942\n3.620942 3.620942 0.000000\nYb Nd Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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}
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