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{
"id": "mp-977399",
"created_at": "2022-09-04T14:42:45.155437Z",
"structure_string": "Li1 Mg1 Pd2\n1.0\n0.000000 3.100195 3.100195\n3.100195 0.000000 3.100195\n3.100195 3.100195 0.000000\nLi Mg Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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{
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"spacegroup": 71
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{
"id": "mp-1226295",
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"structure_string": "Cr1 In3\n1.0\n10.322149 -1.555466 0.000000\n10.322149 1.555466 0.000000\n10.087753 0.000000 2.683931\nCr In\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.263804 0.263804 0.263804 In\n0.500000 0.500000 0.500000 In\n0.736196 0.736196 0.736196 In\n",
"nsites": 4,
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"density": 7.638457043170826,
"density_atomic": 0.046411756252890006,
"volume": 86.18506005686704,
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"formula_full": "Cr1 In3",
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"updated_at": "2021-11-28T01:37:07.205000Z",
"spacegroup": 166
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{
"id": "mp-1002109",
"created_at": "2022-09-04T14:39:35.551841Z",
"structure_string": "V1 Co1\n1.0\n2.895429 0.000000 0.000000\n0.000000 2.895429 0.000000\n0.000000 0.000000 2.895429\nV Co\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Co-V",
"density": 7.516367747422577,
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"volume": 24.273855352650042,
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"formula_full": "V1 Co1",
"formula_reduced": "VCo",
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"updated_at": "2021-11-28T01:34:35.841000Z",
"spacegroup": 221
},
{
"id": "mp-529",
"created_at": "2022-09-04T14:41:51.455502Z",
"structure_string": "Sm2 Mg4\n1.0\n0.000000 4.312342 4.312342\n4.312342 0.000000 4.312342\n4.312342 4.312342 0.000000\nSm Mg\n2 4\ndirect\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Sm\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Sm",
"density": 4.11999898146254,
"density_atomic": 0.03740947952856953,
"volume": 160.38715522406062,
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"formula_full": "Sm2 Mg4",
"formula_reduced": "SmMg2",
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"updated_at": "2021-11-28T01:35:28.091000Z",
"spacegroup": 227
},
{
"id": "mp-1099273",
"created_at": "2022-09-04T14:42:05.135487Z",
"structure_string": "Ce1 Mg6 Zn1\n1.0\n3.226304 -5.844013 0.000000\n3.226304 5.844013 0.000000\n0.000000 0.000000 5.110562\nCe Mg Zn\n1 6 1\ndirect\n0.330695 0.669305 0.500000 Ce\n0.325560 0.164317 0.500000 Mg\n0.835683 0.674440 0.500000 Mg\n0.157127 0.320406 0.000000 Mg\n0.679594 0.842873 0.000000 Mg\n0.670361 0.329639 0.000000 Mg\n0.162256 0.837744 0.000000 Mg\n0.838726 0.161274 0.500000 Zn\n",
"nsites": 8,
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"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Ce-Mg-Zn",
"density": 3.0274718847251463,
"density_atomic": 0.041512115878374556,
"volume": 192.71482146173963,
"volume_molar": 14.506947267260813,
"formula_full": "Ce1 Mg6 Zn1",
"formula_reduced": "CeMg6Zn",
"formula_anonymous": "ABC6",
"energy": -16.36356519,
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"updated_at": "2021-11-28T01:35:32.282000Z",
"spacegroup": 38
},
{
"id": "mp-1093651",
"created_at": "2022-09-04T14:40:52.666028Z",
"structure_string": "Cu1 Si1 Ir2\n1.0\n-4.611839 4.942561 6.959663\n4.611839 -4.942561 6.959663\n4.611839 4.942561 -6.959663\nCu Si Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Si\n0.000000 0.230967 0.230967 Ir\n0.000000 0.769033 0.769033 Ir\n",
"nsites": 4,
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"elements": [
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"Si",
"Ir"
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"chemical_system": "Cu-Ir-Si",
"density": 1.2457802156072797,
"density_atomic": 0.00630355597454788,
"volume": 634.5624622278219,
"volume_molar": 95.53561171370318,
"formula_full": "Cu1 Si1 Ir2",
"formula_reduced": "CuSiIr2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:57.549000Z",
"spacegroup": 71
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{
"id": "mp-7473",
"created_at": "2022-09-04T14:42:27.907203Z",
"structure_string": "Li1 Cu2 Si1\n1.0\n0.000000 2.866176 2.866176\n2.866176 0.000000 2.866176\n2.866176 2.866176 0.000000\nLi Cu Si\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Li-Si",
"density": 5.7166698732821954,
"density_atomic": 0.08494179422398761,
"volume": 47.09107026221019,
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"formula_full": "Li1 Cu2 Si1",
"formula_reduced": "LiCu2Si",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:48.751000Z",
"spacegroup": 225
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{
"id": "mp-1187340",
"created_at": "2022-09-04T14:39:24.239289Z",
"structure_string": "Tb1 Lu1 In2\n1.0\n0.000000 3.736027 3.736027\n3.736027 0.000000 3.736027\n3.736027 3.736027 0.000000\nTb Lu In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
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"Lu",
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"chemical_system": "In-Lu-Tb",
"density": 8.972322030235187,
"density_atomic": 0.03835305622426824,
"volume": 104.2941656750933,
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"formula_full": "Tb1 Lu1 In2",
"formula_reduced": "TbLuIn2",
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"updated_at": "2021-11-28T01:34:28.346000Z",
"spacegroup": 225
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{
"id": "mp-1216528",
"created_at": "2022-09-04T14:43:08.046496Z",
"structure_string": "Tl1 Bi1 S2\n1.0\n4.191971 0.000000 0.000000\n0.000000 4.191971 0.000000\n0.000000 0.000000 5.927661\nTl Bi S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
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"elements": [
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"density": 7.611966103952718,
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"volume": 104.16453936830423,
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"updated_at": "2021-11-28T01:36:02.807000Z",
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{
"id": "mp-1187710",
"created_at": "2022-09-04T14:46:09.948064Z",
"structure_string": "Y2 Mg1 Cd1\n1.0\n0.000000 3.775297 3.775297\n3.775297 0.000000 3.775297\n3.775297 3.775297 0.000000\nY Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
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"updated_at": "2021-11-28T01:37:19.196000Z",
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{
"id": "mp-30719",
"created_at": "2022-09-04T14:41:56.264562Z",
"structure_string": "Mg8 Hg4\n1.0\n4.689699 0.000000 0.000000\n0.000000 6.179430 0.000000\n0.000000 0.000000 8.971725\nMg Hg\n8 4\ndirect\n0.250000 0.450095 0.209412 Mg\n0.750000 0.549905 0.790588 Mg\n0.250000 0.950095 0.290588 Mg\n0.750000 0.049905 0.709412 Mg\n0.750000 0.679474 0.443899 Mg\n0.250000 0.320526 0.556101 Mg\n0.750000 0.179474 0.056101 Mg\n0.250000 0.820526 0.943899 Mg\n0.250000 0.286055 0.879479 Hg\n0.750000 0.713945 0.120521 Hg\n0.250000 0.786055 0.620521 Hg\n0.750000 0.213945 0.379479 Hg\n",
"nsites": 12,
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"formula_full": "Mg8 Hg4",
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"updated_at": "2021-11-28T01:35:26.932000Z",
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}
]
}