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{
"id": "mp-977588",
"created_at": "2022-09-04T14:43:15.033180Z",
"structure_string": "Lu4 Ni4 Sn4\n1.0\n4.442754 0.000000 0.000000\n0.000000 6.958050 0.000000\n0.000000 0.000000 7.594850\nLu Ni Sn\n4 4 4\ndirect\n0.250000 0.512215 0.201703 Lu\n0.250000 0.012215 0.298297 Lu\n0.750000 0.987785 0.701703 Lu\n0.750000 0.487785 0.798297 Lu\n0.750000 0.204468 0.082027 Ni\n0.750000 0.704468 0.417973 Ni\n0.250000 0.295532 0.582027 Ni\n0.250000 0.795532 0.917973 Ni\n0.750000 0.809028 0.088572 Sn\n0.750000 0.309028 0.411428 Sn\n0.250000 0.690972 0.588572 Sn\n0.250000 0.190972 0.911428 Sn\n",
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{
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{
"id": "mp-977585",
"created_at": "2022-09-04T14:45:07.319678Z",
"structure_string": "Zr3 Tl1\n1.0\n4.491154 0.000000 0.000000\n0.000000 4.491154 0.000000\n0.000000 0.000000 4.491154\nZr Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Tl\n",
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"volume": 90.58866120595131,
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"updated_at": "2021-11-28T01:36:52.736000Z",
"spacegroup": 221
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{
"id": "mp-977584",
"created_at": "2022-09-04T14:48:19.074716Z",
"structure_string": "Zr2 Zn1 Ag2 F14\n1.0\n3.359246 4.493511 0.000000\n-3.359246 4.493511 0.000000\n0.000000 0.154993 9.429299\nZr Zn Ag F\n2 1 2 14\ndirect\n0.884319 0.884319 0.198147 Zr\n0.115681 0.115681 0.801853 Zr\n0.500000 0.500000 0.000000 Zn\n0.307475 0.307475 0.384441 Ag\n0.692525 0.692525 0.615559 Ag\n0.000000 0.000000 0.000000 F\n0.592110 0.179763 0.124006 F\n0.179763 0.592110 0.124006 F\n0.665005 0.665005 0.144606 F\n0.094849 0.094849 0.276615 F\n0.639764 0.003828 0.374557 F\n0.003828 0.639764 0.374557 F\n0.500000 0.500000 0.500000 F\n0.996172 0.360236 0.625443 F\n0.360236 0.996172 0.625443 F\n0.905151 0.905151 0.723385 F\n0.334995 0.334995 0.855394 F\n0.820237 0.407890 0.875994 F\n0.407890 0.820237 0.875994 F\n",
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{
"id": "mp-977583",
"created_at": "2022-09-04T14:40:18.961144Z",
"structure_string": "Li1 Np1 Ir2\n1.0\n0.000000 3.209642 3.209642\n3.209642 0.000000 3.209642\n3.209642 3.209642 0.000000\nLi Np Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Li-Np",
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"density_atomic": 0.060486744763520804,
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"formula_full": "Li1 Np1 Ir2",
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"updated_at": "2021-11-28T01:34:55.863000Z",
"spacegroup": 225
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{
"id": "mp-977582",
"created_at": "2022-09-04T14:48:27.196288Z",
"structure_string": "Zr1 Zn1 Rh2\n1.0\n0.000000 3.166819 3.166819\n3.166819 0.000000 3.166819\n3.166819 3.166819 0.000000\nZr Zn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"density": 9.475241563545035,
"density_atomic": 0.06297385356125618,
"volume": 63.51842508905865,
"volume_molar": 9.562922418495669,
"formula_full": "Zr1 Zn1 Rh2",
"formula_reduced": "ZrZnRh2",
"formula_anonymous": "ABC2",
"energy": -27.60941698,
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"updated_at": "2021-11-28T01:39:13.759000Z",
"spacegroup": 225
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{
"id": "mp-977581",
"created_at": "2022-09-04T14:44:24.141899Z",
"structure_string": "Eu1 Hg1 Au2\n1.0\n0.000000 3.636572 3.636572\n3.636572 0.000000 3.636572\n3.636572 3.636572 0.000000\nEu Hg Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
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"density": 12.887386677294279,
"density_atomic": 0.041586600853682806,
"volume": 96.18482679249246,
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"formula_full": "Eu1 Hg1 Au2",
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"updated_at": "2021-11-28T01:36:37.963000Z",
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{
"id": "mp-977580",
"created_at": "2022-09-04T14:46:09.103628Z",
"structure_string": "Mg1 Sc2 Al1\n1.0\n0.000000 3.461278 3.461278\n3.461278 0.000000 3.461278\n3.461278 3.461278 0.000000\nMg Sc Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
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"Sc",
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"density": 2.827087929183932,
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"volume": 82.93530413995052,
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"formula_full": "Mg1 Sc2 Al1",
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"updated_at": "2021-11-28T01:37:22.915000Z",
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{
"id": "mp-977579",
"created_at": "2022-09-04T14:39:44.846177Z",
"structure_string": "Mg1 Sb1 Pd2\n1.0\n0.000000 3.276330 3.276330\n3.276330 0.000000 3.276330\n3.276330 3.276330 0.000000\nMg Sb Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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"updated_at": "2021-11-28T01:34:32.946000Z",
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{
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"structure_string": "Zr2 Tc1 Pd1\n1.0\n0.000000 3.324152 3.324152\n3.324152 0.000000 3.324152\n3.324152 3.324152 0.000000\nZr Tc Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "Nd1 Zn1 Au2\n1.0\n0.000000 3.506758 3.506758\n3.506758 0.000000 3.506758\n3.506758 3.506758 0.000000\nNd Zn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "mp-977575",
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"structure_string": "Mg1 Sb1 Ru2\n1.0\n0.000000 3.153951 3.153951\n3.153951 0.000000 3.153951\n3.153951 3.153951 0.000000\nMg Sb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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]
}