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{
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{
"id": "mp-1095920",
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"structure_string": "Y2 Ni1 Pd1\n1.0\n-5.019307 6.412632 9.541862\n5.019307 -6.412632 9.541862\n5.019307 6.412632 -9.541862\nY Ni Pd\n2 1 1\ndirect\n0.000000 0.240107 0.240107 Y\n0.000000 0.759893 0.759893 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pd\n",
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{
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{
"id": "mp-1093663",
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"chemical_system": "Ca-Li-Pd",
"density": 0.261858066509314,
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"volume": 1227.1630308543595,
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"formula_full": "Li1 Ca2 Pd1",
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"updated_at": "2021-11-28T01:36:34.813000Z",
"spacegroup": 71
},
{
"id": "mp-1096021",
"created_at": "2022-09-04T14:41:00.403112Z",
"structure_string": "Sc1 Ti1 Tl2\n1.0\n-5.723483 6.206236 8.631755\n5.723483 -6.206236 8.631755\n5.723483 6.206236 -8.631755\nSc Ti Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ti\n0.000000 0.253563 0.253563 Tl\n0.000000 0.746437 0.746437 Tl\n",
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"density": 0.6791250730715955,
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"volume": 1226.4441604337903,
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"formula_full": "Sc1 Ti1 Tl2",
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"updated_at": "2021-11-28T01:35:00.662000Z",
"spacegroup": 71
},
{
"id": "mp-1096195",
"created_at": "2022-09-04T14:41:05.424956Z",
"structure_string": "Sc2 Tl1 V1\n1.0\n-5.575553 6.279996 8.753972\n5.575553 -6.279996 8.753972\n5.575553 6.279996 -8.753972\nSc Tl V\n2 1 1\ndirect\n0.000000 0.233919 0.233919 Sc\n0.000000 0.766081 0.766081 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 V\n",
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"volume": 1226.062078412724,
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"formula_full": "Sc2 Tl1 V1",
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"updated_at": "2021-11-28T01:35:14.423000Z",
"spacegroup": 71
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{
"id": "mp-1097558",
"created_at": "2022-09-04T14:45:20.411996Z",
"structure_string": "Sc2 Cd1 Hg1\n1.0\n-5.881634 5.896373 8.837350\n5.881634 -5.896373 8.837350\n5.881634 5.896373 -8.837350\nSc Cd Hg\n2 1 1\ndirect\n0.743618 0.000000 0.743618 Sc\n0.256382 0.000000 0.256382 Sc\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
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"Cd",
"Hg"
],
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"density": 0.5457518246627,
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"volume": 1225.9280765568406,
"volume_molar": 184.56778596653376,
"formula_full": "Sc2 Cd1 Hg1",
"formula_reduced": "Sc2CdHg",
"formula_anonymous": "ABC2",
"energy": -6.6278633,
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"updated_at": "2021-11-28T01:36:58.305000Z",
"spacegroup": 71
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{
"id": "mp-1095995",
"created_at": "2022-09-04T14:40:56.137544Z",
"structure_string": "Na1 Tl1 Hg2\n1.0\n-5.949219 6.021277 8.548806\n5.949219 -6.021277 8.548806\n5.949219 6.021277 -8.548806\nNa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Tl\n0.248512 0.000000 0.248512 Hg\n0.751488 0.000000 0.751488 Hg\n",
"nsites": 4,
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"elements": [
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"Tl",
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],
"chemical_system": "Hg-Na-Tl",
"density": 0.8520734493816344,
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"volume": 1224.9377418440108,
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"formula_full": "Na1 Tl1 Hg2",
"formula_reduced": "NaTlHg2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.299000Z",
"spacegroup": 71
},
{
"id": "mp-1256664",
"created_at": "2022-09-04T14:48:06.757382Z",
"structure_string": "Si2 Tc1 Ru1\n1.0\n-7.904038 0.002178 -4.559843\n-9.870856 -0.286028 7.965260\n-5.791506 11.252115 0.899616\nSi Tc Ru\n2 1 1\ndirect\n0.748204 0.999950 0.999950 Si\n0.251796 0.000050 0.000050 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
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"density": 0.34616897224164056,
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"volume": 1224.3663814046106,
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"formula_full": "Si2 Tc1 Ru1",
"formula_reduced": "Si2TcRu",
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"updated_at": "2021-11-28T01:38:23.196000Z",
"spacegroup": 71
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{
"id": "mp-1097469",
"created_at": "2022-09-04T14:44:26.210099Z",
"structure_string": "Sr1 La1 Pt2\n1.0\n-5.583728 6.224308 8.806736\n5.583728 -6.224308 8.806736\n5.583728 6.224308 -8.806736\nSr La Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.281208 0.281208 Pt\n0.000000 0.718792 0.718792 Pt\n",
"nsites": 4,
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"elements": [
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"La",
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"density": 0.8364272033458777,
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"volume": 1224.3069031659106,
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"formula_full": "Sr1 La1 Pt2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.524000Z",
"spacegroup": 71
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{
"id": "mp-1095789",
"created_at": "2022-09-04T14:46:54.738068Z",
"structure_string": "Sc2 Zn1 In1\n1.0\n-5.782737 6.157690 8.590340\n5.782737 -6.157690 8.590340\n5.782737 6.157690 -8.590340\nSc Zn In\n2 1 1\ndirect\n0.000000 0.247533 0.247533 Sc\n0.000000 0.752467 0.752467 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"formula_full": "Sc2 Zn1 In1",
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"updated_at": "2021-11-28T01:37:51.035000Z",
"spacegroup": 71
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{
"id": "mp-1097144",
"created_at": "2022-09-04T14:43:21.792511Z",
"structure_string": "Li1 Tl1 Hg2\n1.0\n-5.786293 5.840750 9.047056\n5.786293 -5.840750 9.047056\n5.786293 5.840750 -9.047056\nLi Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Tl\n0.768348 0.000000 0.768348 Hg\n0.231652 0.000000 0.231652 Hg\n",
"nsites": 4,
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"formula_full": "Li1 Tl1 Hg2",
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"updated_at": "2021-11-28T01:36:15.572000Z",
"spacegroup": 71
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{
"id": "mp-1097373",
"created_at": "2022-09-04T14:41:15.877396Z",
"structure_string": "Sc1 In1 Hg2\n1.0\n-5.654363 6.186409 8.739424\n5.654363 -6.186409 8.739424\n5.654363 6.186409 -8.739424\nSc In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.248956 0.248956 Hg\n0.000000 0.751044 0.751044 Hg\n",
"nsites": 4,
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"volume": 1222.827272864487,
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"formula_full": "Sc1 In1 Hg2",
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"updated_at": "2021-11-28T01:35:25.531000Z",
"spacegroup": 71
}
]
}