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{
"id": "jvasp-93090",
"created_at": "2022-09-04T14:35:54.197877Z",
"updated_at": "2022-09-04T14:35:54.197903Z",
"structure_string": "Mg6 Ga1 Si1\n1.0\n6.137309 -0.061782 0.000000\n-3.122160 5.284174 0.000000\n0.000000 0.000000 5.097184\nMg Ga Si\n6 1 1\ndirect\n0.159102 0.853602 0.250000 Mg\n0.646397 0.340897 0.250000 Mg\n0.659390 0.840610 0.250000 Mg\n0.338435 0.642011 0.749999 Mg\n0.857989 0.161565 0.749999 Mg\n0.838787 0.661213 0.749999 Mg\n0.360176 0.139824 0.749999 Ga\n0.139723 0.360277 0.250000 Si\n",
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{
"id": "jvasp-105940",
"created_at": "2022-09-04T14:35:59.407476Z",
"updated_at": "2022-09-04T14:35:59.407502Z",
"structure_string": "Sr1 Mg2 In2\n1.0\n4.404243 -0.032732 -5.696026\n-0.539420 4.371208 -5.696026\n0.029158 0.032732 7.200084\nSr Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Mg\n0.250000 0.750000 0.499999 Mg\n0.388465 0.388465 -0.000000 In\n0.611535 0.611536 -0.000001 In\n",
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"elements": [
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"formula_full": "Sr1 Mg2 In2",
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{
"id": "jvasp-101489",
"created_at": "2022-09-04T14:36:51.775199Z",
"updated_at": "2022-09-04T14:36:51.775222Z",
"structure_string": "K2 Sc1 Hg1 Br6\n1.0\n6.858176 -0.000000 3.959570\n2.286059 6.465950 3.959570\n-0.000000 -0.000000 7.919139\nK Sc Hg Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.764110 0.235890 0.235890 Br\n0.235890 0.235890 0.764110 Br\n0.235890 0.764110 0.764110 Br\n0.235890 0.764110 0.235890 Br\n0.764110 0.235890 0.764110 Br\n0.764110 0.764110 0.235890 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.79783205439052,
"density_atomic": 0.028476136492956074,
"volume": 351.1712342885287,
"volume_molar": 21.14802603748458,
"formula_full": "K2 Sc1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-102269",
"created_at": "2022-09-04T14:36:45.620874Z",
"updated_at": "2022-09-04T14:36:45.620893Z",
"structure_string": "Rb2 Li1 Sm1 Cl6\n1.0\n6.362709 -0.000000 3.673512\n2.120903 5.998819 3.673512\n-0.000000 -0.000000 7.347023\nRb Li Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sm\n0.742653 0.257347 0.257347 Cl\n0.257347 0.257347 0.742652 Cl\n0.257347 0.742653 0.742652 Cl\n0.257347 0.742653 0.257347 Cl\n0.742653 0.257347 0.742652 Cl\n0.742653 0.742653 0.257347 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Li-Rb-Sm",
"density": 3.203248981600344,
"density_atomic": 0.03565995420538115,
"volume": 280.4266080210216,
"volume_molar": 16.88768506351937,
"formula_full": "Rb2 Li1 Sm1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-63220",
"created_at": "2022-09-04T14:36:16.143263Z",
"updated_at": "2022-09-04T14:36:16.143283Z",
"structure_string": "Yb1 Cu4 Au1\n1.0\n0.000000 3.535313 3.535313\n3.535313 0.000000 3.535313\n3.535313 3.535313 -0.000000\nYb Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.624788 0.125635 0.624788 Cu\n0.125635 0.624788 0.624788 Cu\n0.624788 0.624788 0.624788 Cu\n0.624788 0.624788 0.125635 Cu\n0.250000 0.250000 0.250000 Au\n",
"nsites": 6,
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"elements": [
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],
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"density": 11.728776043276316,
"density_atomic": 0.06789497676585517,
"volume": 88.37178073853381,
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"formula_full": "Yb1 Cu4 Au1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-105684",
"created_at": "2022-09-04T14:35:43.910691Z",
"updated_at": "2022-09-04T14:35:43.910714Z",
"structure_string": "Rb2 Na1 Sb1 I6\n1.0\n7.415985 0.000000 4.281621\n2.471995 6.991859 4.281621\n0.000000 0.000000 8.563243\nRb Na Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751951 0.248049 0.248049 I\n0.248049 0.248049 0.751950 I\n0.248049 0.751951 0.751951 I\n0.248049 0.751951 0.248049 I\n0.751951 0.248049 0.751950 I\n0.751951 0.751951 0.248049 I\n",
"nsites": 10,
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"elements": [
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"I"
],
"chemical_system": "I-Na-Rb-Sb",
"density": 4.028192955335747,
"density_atomic": 0.022521651166227185,
"volume": 444.01717823405903,
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"formula_full": "Rb2 Na1 Sb1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-101508",
"created_at": "2022-09-04T14:36:39.722580Z",
"updated_at": "2022-09-04T14:36:39.722607Z",
"structure_string": "Na3 Ga1 Br6\n1.0\n6.536070 0.000000 3.773602\n2.178690 6.162266 3.773602\n-0.000000 -0.000000 7.547204\nNa Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ga\n0.761873 0.238127 0.238127 Br\n0.238127 0.238127 0.761872 Br\n0.238127 0.761873 0.761872 Br\n0.238127 0.761873 0.238127 Br\n0.761873 0.238127 0.761872 Br\n0.761873 0.761873 0.238126 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Ga",
"Br"
],
"chemical_system": "Br-Ga-Na",
"density": 3.3765724627228737,
"density_atomic": 0.032897036376441285,
"volume": 303.9787501089718,
"volume_molar": 18.306028212050933,
"formula_full": "Na3 Ga1 Br6",
"formula_reduced": "Na3GaBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102091",
"created_at": "2022-09-04T14:36:33.107802Z",
"updated_at": "2022-09-04T14:36:33.107815Z",
"structure_string": "Rb2 In1 Sb1 Cl6\n1.0\n6.796624 -0.000000 3.924033\n2.265542 6.407919 3.924033\n-0.000000 -0.000000 7.848065\nRb In Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.760300 0.239700 0.239700 Cl\n0.239700 0.239700 0.760301 Cl\n0.239699 0.760300 0.760300 Cl\n0.239699 0.760300 0.239700 Cl\n0.760300 0.239700 0.760301 Cl\n0.760299 0.760300 0.239700 Cl\n",
"nsites": 10,
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"elements": [
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"In",
"Sb",
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],
"chemical_system": "Cl-In-Rb-Sb",
"density": 3.0132151146436095,
"density_atomic": 0.029256822075518604,
"volume": 341.800622575743,
"volume_molar": 20.58371461006758,
"formula_full": "Rb2 In1 Sb1 Cl6",
"formula_reduced": "Rb2InSbCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-90854",
"created_at": "2022-09-04T14:35:43.386296Z",
"updated_at": "2022-09-04T14:35:43.386320Z",
"structure_string": "K1 Cd4 As3\n1.0\n-2.266297 -3.925342 0.000000\n2.266297 -3.925342 0.000000\n-0.000000 -2.616894 12.031292\nK Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.089762 0.089762 0.730713 Cd\n0.910237 0.910237 0.269287 Cd\n0.301042 0.301042 0.096873 Cd\n0.698957 0.698957 0.903127 Cd\n0.226460 0.226460 0.320621 As\n0.773540 0.773540 0.679379 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 8,
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"elements": [
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"As"
],
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"density": 5.534913123847254,
"density_atomic": 0.03737260743468236,
"volume": 214.06052585391396,
"volume_molar": 16.113782723148613,
"formula_full": "K1 Cd4 As3",
"formula_reduced": "KCd4As3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-105679",
"created_at": "2022-09-04T14:36:03.103722Z",
"updated_at": "2022-09-04T14:36:03.103746Z",
"structure_string": "Rb2 In1 Sb1 Br6\n1.0\n7.093599 0.000000 4.095491\n2.364533 6.687910 4.095491\n0.000000 0.000000 8.190984\nRb In Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.757258 0.242742 0.242742 Br\n0.242742 0.242742 0.757257 Br\n0.242742 0.757258 0.757257 Br\n0.242742 0.757258 0.242742 Br\n0.757258 0.242742 0.757257 Br\n0.757258 0.757258 0.242742 Br\n",
"nsites": 10,
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"volume": 388.5913526155182,
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"formula_full": "Rb2 In1 Sb1 Br6",
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},
{
"id": "jvasp-8651",
"created_at": "2022-09-04T14:36:33.568716Z",
"updated_at": "2022-09-04T14:36:33.568733Z",
"structure_string": "K2 Pt1 Br4\n1.0\n7.341701 0.000000 -0.000000\n-0.000000 7.341701 0.000000\n0.000000 0.000000 4.262278\nK Pt Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pt\n0.761869 0.761869 0.000000 Br\n0.238131 0.238131 0.000000 Br\n0.238131 0.761869 0.000000 Br\n0.761869 0.238131 0.000000 Br\n",
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},
{
"id": "jvasp-12448",
"created_at": "2022-09-04T14:37:20.121611Z",
"updated_at": "2022-09-04T14:37:20.121636Z",
"structure_string": "Ca8 Sn4\n1.0\n5.095738 0.000000 0.000000\n0.000000 7.703334 0.000000\n0.000000 0.000000 9.496933\nCa Sn\n8 4\ndirect\n0.750000 0.334518 0.072296 Ca\n0.250000 0.665481 0.927704 Ca\n0.750000 0.834518 0.427704 Ca\n0.250000 0.165481 0.572296 Ca\n0.750000 0.479295 0.691277 Ca\n0.250000 0.520705 0.308723 Ca\n0.750000 0.979294 0.808723 Ca\n0.250000 0.020705 0.191277 Ca\n0.750000 0.753025 0.104977 Sn\n0.250000 0.246975 0.895023 Sn\n0.750000 0.253025 0.395023 Sn\n0.250000 0.746974 0.604977 Sn\n",
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}