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{
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"results": [
{
"id": "mp-1183611",
"created_at": "2022-09-04T14:48:21.112666Z",
"structure_string": "Ca2 Yb6\n1.0\n3.931562 -6.809665 0.000000\n3.931562 6.809665 0.000000\n0.000000 0.000000 6.199994\nCa Yb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.166491 0.332982 0.250000 Yb\n0.667018 0.833509 0.250000 Yb\n0.166491 0.833509 0.250000 Yb\n0.833509 0.667018 0.750000 Yb\n0.332982 0.166491 0.750000 Yb\n0.833509 0.166491 0.750000 Yb\n",
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"formula_full": "Ca2 Yb6",
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{
"id": "mp-1093690",
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"structure_string": "Li1 La2 In1\n1.0\n-6.014945 6.230409 8.968845\n6.014945 -6.230409 8.968845\n6.014945 6.230409 -8.968845\nLi La In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256678 0.256678 La\n0.000000 0.743322 0.743322 La\n0.000000 0.500000 0.500000 In\n",
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"formula_full": "Li1 La2 In1",
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"updated_at": "2021-11-28T01:37:28.302000Z",
"spacegroup": 71
},
{
"id": "mp-1183907",
"created_at": "2022-09-04T14:46:02.382794Z",
"structure_string": "Cs6 Si2\n1.0\n4.768459 -8.259214 0.000000\n4.768459 8.259214 0.000000\n0.000000 0.000000 5.930425\nCs Si\n6 2\ndirect\n0.191160 0.382321 0.250000 Cs\n0.617679 0.808840 0.250000 Cs\n0.191160 0.808840 0.250000 Cs\n0.808840 0.617679 0.750000 Cs\n0.382321 0.191160 0.750000 Cs\n0.808840 0.191160 0.750000 Cs\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"density": 3.034399839433146,
"density_atomic": 0.017126057647085118,
"volume": 467.1244348731719,
"volume_molar": 35.16361374052118,
"formula_full": "Cs6 Si2",
"formula_reduced": "Cs3Si",
"formula_anonymous": "AB3",
"energy": -12.94342556,
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"updated_at": "2021-11-28T01:37:17.924000Z",
"spacegroup": 194
},
{
"id": "mp-1187626",
"created_at": "2022-09-04T14:39:58.464867Z",
"structure_string": "Yb1 Mg3\n1.0\n-2.532608 2.532608 4.030421\n2.532608 -2.532608 4.030421\n2.532608 2.532608 -4.030421\nYb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Yb",
"density": 3.949648071564417,
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"volume": 103.40614625035,
"volume_molar": 15.568159204218848,
"formula_full": "Yb1 Mg3",
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"energy": -6.47201624,
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"updated_at": "2021-11-28T01:34:44.500000Z",
"spacegroup": 139
},
{
"id": "mp-1204376",
"created_at": "2022-09-04T14:44:09.919973Z",
"structure_string": "La2 Cd40 Ni4\n1.0\n0.000000 7.921700 7.921700\n7.921700 0.000000 7.921700\n7.921700 7.921700 0.000000\nLa Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.568678 0.300502 0.300502 Cd\n0.300502 0.568678 0.830318 Cd\n0.300502 0.830318 0.568678 Cd\n0.830318 0.300502 0.300502 Cd\n0.300502 0.300502 0.568678 Cd\n0.568678 0.830318 0.300502 Cd\n0.830318 0.568678 0.300502 Cd\n0.300502 0.300502 0.830318 Cd\n0.300502 0.568678 0.300502 Cd\n0.830318 0.300502 0.568678 Cd\n0.568678 0.300502 0.830318 Cd\n0.300502 0.830318 0.300502 Cd\n0.681322 0.949498 0.949498 Cd\n0.949498 0.681322 0.419682 Cd\n0.949498 0.419682 0.681322 Cd\n0.419682 0.949498 0.949498 Cd\n0.949498 0.949498 0.681322 Cd\n0.681322 0.419682 0.949498 Cd\n0.419682 0.681322 0.949498 Cd\n0.949498 0.949498 0.419682 Cd\n0.949498 0.681322 0.949498 Cd\n0.419682 0.949498 0.681322 Cd\n0.681322 0.949498 0.419682 Cd\n0.949498 0.419682 0.949498 Cd\n0.863017 0.863017 0.136983 Cd\n0.136983 0.136983 0.863017 Cd\n0.863017 0.136983 0.863017 Cd\n0.136983 0.863017 0.136983 Cd\n0.136983 0.863017 0.863017 Cd\n0.863017 0.136983 0.136983 Cd\n0.386983 0.386983 0.113017 Cd\n0.113017 0.113017 0.386983 Cd\n0.386983 0.113017 0.386983 Cd\n0.113017 0.386983 0.113017 Cd\n0.113017 0.386983 0.386983 Cd\n0.386983 0.113017 0.113017 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
"nsites": 46,
"nelements": 3,
"elements": [
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"Cd",
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],
"chemical_system": "Cd-La-Ni",
"density": 8.365985106373229,
"density_atomic": 0.046267140797566844,
"volume": 994.2261226226261,
"volume_molar": 13.016020995005382,
"formula_full": "La2 Cd40 Ni4",
"formula_reduced": "La(Cd10Ni)2",
"formula_anonymous": "AB2C20",
"energy": -74.44844609,
"energy_per_atom": -1.6184444802173914,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:37.233000Z",
"spacegroup": 227
},
{
"id": "mp-1022100",
"created_at": "2022-09-04T14:47:16.425882Z",
"structure_string": "K2 Mg12 Cu2\n1.0\n5.239071 0.000000 0.000000\n0.000000 6.515489 0.000000\n0.000000 0.000000 11.489015\nK Mg Cu\n2 12 2\ndirect\n0.500000 0.500000 0.166225 K\n0.500000 0.000000 0.666225 K\n0.500000 0.253863 0.417093 Mg\n0.500000 0.746137 0.417093 Mg\n0.000000 0.770003 0.083187 Mg\n0.000000 0.229997 0.083187 Mg\n0.000000 0.000000 0.328158 Mg\n0.000000 0.500000 0.341769 Mg\n0.500000 0.753863 0.917093 Mg\n0.500000 0.246137 0.917093 Mg\n0.000000 0.270003 0.583187 Mg\n0.000000 0.729997 0.583187 Mg\n0.000000 0.500000 0.828158 Mg\n0.000000 0.000000 0.841769 Mg\n0.500000 0.000000 0.163285 Cu\n0.500000 0.500000 0.663285 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Cu"
],
"chemical_system": "Cu-K-Mg",
"density": 2.104148915011388,
"density_atomic": 0.0407977193635844,
"volume": 392.1787847357327,
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"formula_full": "K2 Mg12 Cu2",
"formula_reduced": "KMg6Cu",
"formula_anonymous": "ABC6",
"energy": -25.9046499,
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"updated_at": "2021-11-28T01:37:59.003000Z",
"spacegroup": 38
},
{
"id": "mp-1026597",
"created_at": "2022-09-04T14:40:43.559433Z",
"structure_string": "Cs1 Mg14 Sb1\n1.0\n6.657563 -0.050997 0.000000\n-3.372946 5.842113 0.000000\n0.000000 0.000000 10.586315\nCs Mg Sb\n1 14 1\ndirect\n0.170465 0.335232 0.125000 Cs\n0.167846 0.333922 0.625000 Mg\n0.160819 0.830409 0.625000 Mg\n0.661914 0.320938 0.125000 Mg\n0.670892 0.341447 0.625000 Mg\n0.661914 0.840975 0.125000 Mg\n0.670892 0.829444 0.625000 Mg\n0.337316 0.157180 0.392056 Mg\n0.337316 0.157180 0.857944 Mg\n0.337316 0.680138 0.392056 Mg\n0.337316 0.680138 0.857944 Mg\n0.818219 0.159110 0.393751 Mg\n0.818219 0.159110 0.856249 Mg\n0.829553 0.664777 0.367522 Mg\n0.829553 0.664777 0.882478 Mg\n0.190450 0.845224 0.125000 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cs-Mg-Sb",
"density": 2.4099821585427175,
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"volume": 409.92567371646123,
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"formula_full": "Cs1 Mg14 Sb1",
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"energy": -25.90704755,
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"updated_at": "2021-11-28T01:35:07.827000Z",
"spacegroup": 38
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{
"id": "mp-981378",
"created_at": "2022-09-04T14:44:42.720953Z",
"structure_string": "Sr3 Yb1\n1.0\n0.000000 4.652314 4.652314\n4.652314 0.000000 4.652314\n4.652314 4.652314 0.000000\nSr Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Yb\n",
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"updated_at": "2021-11-28T01:36:46.458000Z",
"spacegroup": 225
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{
"id": "mp-1105844",
"created_at": "2022-09-04T14:44:26.629493Z",
"structure_string": "Sr12 Hg4\n1.0\n7.516345 0.000000 0.000000\n0.000000 8.440799 0.000000\n0.000000 0.000000 11.244114\nSr Hg\n12 4\ndirect\n0.335897 0.678392 0.065860 Sr\n0.164103 0.178392 0.434140 Sr\n0.664103 0.321608 0.565860 Sr\n0.835897 0.821608 0.934140 Sr\n0.664103 0.321608 0.934140 Sr\n0.835897 0.821608 0.565860 Sr\n0.335897 0.678392 0.434140 Sr\n0.164103 0.178392 0.065860 Sr\n0.849913 0.536718 0.250000 Sr\n0.650087 0.036718 0.250000 Sr\n0.150087 0.463282 0.750000 Sr\n0.349913 0.963282 0.750000 Sr\n0.054927 0.879265 0.250000 Hg\n0.445073 0.379265 0.250000 Hg\n0.945073 0.120735 0.750000 Hg\n0.554927 0.620735 0.750000 Hg\n",
"nsites": 16,
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"elements": [
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"density": 4.315155700064093,
"density_atomic": 0.02242871941834733,
"volume": 713.3710891630998,
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"formula_full": "Sr12 Hg4",
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{
"id": "mp-1096359",
"created_at": "2022-09-04T14:46:55.538788Z",
"structure_string": "Cd2 Cu1 Pt1\n1.0\n-5.117279 5.535737 7.835772\n5.117279 -5.535737 7.835772\n5.117279 5.535737 -7.835772\nCd Cu Pt\n2 1 1\ndirect\n0.000000 0.246016 0.246016 Cd\n0.000000 0.753984 0.753984 Cd\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 0.9041617529758949,
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"volume": 887.8841979144254,
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"formula_full": "Cd2 Cu1 Pt1",
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{
"id": "mp-1207162",
"created_at": "2022-09-04T14:42:46.842502Z",
"structure_string": "Rb4 C1\n1.0\n-5.678165 5.678165 2.171131\n5.678165 -5.678165 2.171131\n5.678165 5.678165 -2.171131\nRb C\n4 1\ndirect\n0.267430 0.500000 0.767430 Rb\n0.732570 0.500000 0.232570 Rb\n0.500000 0.267430 0.767430 Rb\n0.500000 0.732570 0.232570 Rb\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"elements": [
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"formula_full": "Rb4 C1",
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{
"id": "mp-1187975",
"created_at": "2022-09-04T14:43:23.511232Z",
"structure_string": "Yb6 H2\n1.0\n3.541700 -6.134404 0.000000\n3.541700 6.134404 0.000000\n0.000000 0.000000 5.991498\nYb H\n6 2\ndirect\n0.167495 0.334990 0.250000 Yb\n0.665010 0.832505 0.250000 Yb\n0.167495 0.832505 0.250000 Yb\n0.832505 0.665010 0.750000 Yb\n0.334990 0.167495 0.750000 Yb\n0.832505 0.167495 0.750000 Yb\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n",
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]
}