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{
"id": "jvasp-40880",
"created_at": "2022-09-04T14:37:39.718788Z",
"updated_at": "2022-09-04T14:37:39.718808Z",
"structure_string": "Pm1 Y1 Mg2\n1.0\n0.000000 3.809840 3.809840\n3.809840 -0.000000 3.809840\n3.809840 3.809840 0.000000\nPm Y Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "jvasp-40849",
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"structure_string": "Pm1 Mg1 Zn2\n1.0\n0.000000 3.460593 3.460593\n3.460593 -0.000000 3.460593\n3.460593 3.460593 0.000000\nPm Mg Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
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{
"id": "jvasp-35439",
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"structure_string": "Mg1 P1 Pd5\n1.0\n3.940707 -0.000000 0.000000\n-0.000000 3.940707 0.000000\n0.000000 0.000000 6.956943\nMg P Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.294554 Pd\n0.000000 0.500000 0.705446 Pd\n0.500000 0.000000 0.294554 Pd\n0.500000 0.000000 0.705446 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Mg-P-Pd",
"density": 9.028188148981641,
"density_atomic": 0.06479347971693271,
"volume": 108.03556207478489,
"volume_molar": 9.294362312858176,
"formula_full": "Mg1 P1 Pd5",
"formula_reduced": "MgPPd5",
"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"id": "jvasp-7817",
"created_at": "2022-09-04T14:36:40.647360Z",
"updated_at": "2022-09-04T14:36:40.647380Z",
"structure_string": "Mg1 P1 Pt5\n1.0\n3.946935 0.000000 0.000000\n0.000000 3.946935 0.000000\n0.000000 -0.000000 7.021564\nMg P Pt\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.500000 P\n0.499999 0.499999 0.000000 Pt\n0.000000 0.499999 0.290566 Pt\n0.000000 0.499999 0.709433 Pt\n0.499999 0.000000 0.709433 Pt\n0.499999 0.000000 0.290566 Pt\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Mg-P-Pt",
"density": 15.646854518557229,
"density_atomic": 0.06399473319265488,
"volume": 109.38400163223805,
"volume_molar": 9.410369353162961,
"formula_full": "Mg1 P1 Pt5",
"formula_reduced": "MgPPt5",
"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"id": "jvasp-106975",
"created_at": "2022-09-04T14:36:57.940511Z",
"updated_at": "2022-09-04T14:36:57.940531Z",
"structure_string": "Pr5 Mg1\n1.0\n9.376457 -0.000993 0.000000\n-8.635955 3.652155 0.000000\n-0.000000 -0.000000 5.881080\nPr Mg\n5 1\ndirect\n0.007639 0.992359 -0.000000 Pr\n0.676165 0.323836 -0.000000 Pr\n0.336089 0.663910 -0.000000 Pr\n0.553897 0.446103 0.500000 Pr\n0.876080 0.123922 0.500000 Pr\n0.216789 0.783210 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Mg-Pr",
"density": 6.011003064100126,
"density_atomic": 0.029799910946540484,
"volume": 201.34288356645405,
"volume_molar": 20.20858643102462,
"formula_full": "Pr5 Mg1",
"formula_reduced": "Pr5Mg",
"formula_anonymous": "AB5",
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"spacegroup": 38
},
{
"id": "jvasp-105848",
"created_at": "2022-09-04T14:36:18.794507Z",
"updated_at": "2022-09-04T14:36:18.794535Z",
"structure_string": "Pr3 Mg1\n1.0\n4.581015 0.010564 -4.206377\n-0.877455 4.496208 -4.206377\n-0.008682 -0.010564 6.219263\nPr Mg\n3 1\ndirect\n0.500001 0.500000 -0.000000 Pr\n0.750001 0.250000 0.500000 Pr\n0.250001 0.750001 0.500001 Pr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Pr",
"density": 5.810595146455232,
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"volume": 127.75066170114395,
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"formula_full": "Pr3 Mg1",
"formula_reduced": "Pr3Mg",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-102971",
"created_at": "2022-09-04T14:36:36.281190Z",
"updated_at": "2022-09-04T14:36:36.281218Z",
"structure_string": "Pr4 Mg2\n1.0\n6.964289 0.030683 1.879245\n5.923042 3.663309 1.879245\n0.010242 0.002935 7.557805\nPr Mg\n4 2\ndirect\n0.842923 0.842924 0.578378 Pr\n0.157076 0.157077 0.421624 Pr\n0.842594 0.842594 0.078851 Pr\n0.157405 0.157407 0.921151 Pr\n0.499885 0.499886 0.750479 Mg\n0.500114 0.500115 0.249523 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Pr",
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"volume": 191.3681186685417,
"volume_molar": 19.207429126639035,
"formula_full": "Pr4 Mg2",
"formula_reduced": "Pr2Mg",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-14712",
"created_at": "2022-09-04T14:35:48.712553Z",
"updated_at": "2022-09-04T14:35:48.712573Z",
"structure_string": "Pr1 Mg3\n1.0\n4.533433 0.000000 2.617379\n1.511144 4.274162 2.617379\n0.000000 0.000000 5.234758\nPr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499999 0.500000 0.500001 Mg\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750000 0.750001 Mg\n",
"nsites": 4,
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"elements": [
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"volume": 101.43195350564622,
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"formula_full": "Pr1 Mg3",
"formula_reduced": "PrMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99837",
"created_at": "2022-09-04T14:36:36.425045Z",
"updated_at": "2022-09-04T14:36:36.425058Z",
"structure_string": "Pr4 Mg2\n1.0\n8.990244 0.006311 0.000000\n-8.168546 3.754912 -0.000000\n0.000000 0.000000 5.663249\nPr Mg\n4 2\ndirect\n0.086803 0.913196 0.250000 Pr\n0.771607 0.228391 0.250000 Pr\n0.913196 0.086803 0.750000 Pr\n0.228391 0.771608 0.750000 Pr\n0.430586 0.569413 0.250000 Mg\n0.569413 0.430586 0.750000 Mg\n",
"nsites": 6,
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"volume": 191.46950338429374,
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"formula_full": "Pr4 Mg2",
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"spacegroup": 63
},
{
"id": "jvasp-1324",
"created_at": "2022-09-04T14:35:45.247561Z",
"updated_at": "2022-09-04T14:35:45.247585Z",
"structure_string": "Pr1 Mg1\n1.0\n3.894699 0.000000 0.000000\n0.000000 3.894699 0.000000\n0.000000 0.000000 3.894699\nPr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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"elements": [
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"density": 4.643769957794264,
"density_atomic": 0.03385386815423707,
"volume": 59.077443998070414,
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"formula_full": "Pr1 Mg1",
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"formula_anonymous": "AB",
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},
{
"id": "jvasp-18743",
"created_at": "2022-09-04T14:35:43.674858Z",
"updated_at": "2022-09-04T14:35:43.674888Z",
"structure_string": "Pr2 Mg4\n1.0\n5.317442 0.000000 3.070026\n1.772481 5.013332 3.070026\n-0.000000 0.000000 6.140052\nPr Mg\n2 4\ndirect\n0.875000 0.875000 0.875001 Pr\n0.125000 0.125000 0.125000 Pr\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 163.68213334091925,
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"formula_full": "Pr2 Mg4",
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},
{
"id": "jvasp-23393",
"created_at": "2022-09-04T14:37:41.487346Z",
"updated_at": "2022-09-04T14:37:41.487363Z",
"structure_string": "Mg4 P6 Rh7\n1.0\n6.463030 0.000000 -2.285026\n-3.231515 5.597148 -2.285026\n0.000000 0.000000 6.855078\nMg P Rh\n4 6 7\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.317838 0.317838 P\n0.317838 0.000000 0.317838 P\n0.000001 0.682162 0.682162 P\n0.682163 0.682162 -0.000000 P\n0.317838 0.317838 -0.000000 P\n0.682162 0.000000 0.682162 P\n0.500001 0.750000 0.250000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.250000 0.750000 Rh\n0.750000 0.250000 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.750001 0.500000 0.250000 Rh\n0.250001 0.750000 0.500000 Rh\n",
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"volume": 247.97926204427037,
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"formula_full": "Mg4 P6 Rh7",
"formula_reduced": "Mg4P6Rh7",
"formula_anonymous": "A4B6C7",
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"spacegroup": 229
}
]
}