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{
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"results": [
{
"id": "mp-1021321",
"created_at": "2022-09-04T14:41:19.343230Z",
"structure_string": "Mg12 Ti2 Sb2\n1.0\n5.264076 0.000000 0.000000\n0.000000 6.002890 0.000000\n0.000000 0.000000 11.044594\nMg Ti Sb\n12 2 2\ndirect\n0.000000 0.248107 0.416713 Mg\n0.000000 0.751893 0.416713 Mg\n0.500000 0.758145 0.082837 Mg\n0.500000 0.241855 0.082837 Mg\n0.500000 0.000000 0.329766 Mg\n0.500000 0.500000 0.335572 Mg\n0.000000 0.748107 0.916713 Mg\n0.000000 0.251893 0.916713 Mg\n0.500000 0.258145 0.582837 Mg\n0.500000 0.741855 0.582837 Mg\n0.500000 0.500000 0.829766 Mg\n0.500000 0.000000 0.835572 Mg\n0.000000 0.000000 0.168195 Ti\n0.000000 0.500000 0.668195 Ti\n0.000000 0.500000 0.167362 Sb\n0.000000 0.000000 0.667362 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Sb-Ti",
"density": 3.001836059214082,
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"volume": 349.00551662343685,
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"formula_full": "Mg12 Ti2 Sb2",
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"updated_at": "2021-11-28T01:35:17.234000Z",
"spacegroup": 38
},
{
"id": "mp-1094660",
"created_at": "2022-09-04T14:47:46.582175Z",
"structure_string": "Mg1 Ga3\n1.0\n-1.605861 2.678229 4.519005\n1.605861 -2.678229 4.519005\n1.605861 2.678229 -4.519005\nMg Ga\n1 3\ndirect\n0.164392 0.500000 0.664392 Mg\n0.661687 0.000000 0.661687 Ga\n0.751307 0.747679 0.003627 Ga\n0.255948 0.252321 0.003627 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.986882654063326,
"density_atomic": 0.05145191208742739,
"volume": 77.74249464632484,
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"formula_full": "Mg1 Ga3",
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"formula_anonymous": "AB3",
"energy": -10.88071434,
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"updated_at": "2021-11-28T01:38:21.131000Z",
"spacegroup": 44
},
{
"id": "mp-1222659",
"created_at": "2022-09-04T14:44:50.370447Z",
"structure_string": "Li2 Ga1 Ag1\n1.0\n0.000000 3.155775 3.155775\n3.155775 0.000000 3.155775\n3.155775 3.155775 0.000000\nLi Ga Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Li",
"density": 5.058351481539549,
"density_atomic": 0.06363732291707196,
"volume": 62.85619533701223,
"volume_molar": 9.463221398938582,
"formula_full": "Li2 Ga1 Ag1",
"formula_reduced": "Li2GaAg",
"formula_anonymous": "ABC2",
"energy": -10.87939754,
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"updated_at": "2021-11-28T01:36:42.497000Z",
"spacegroup": 216
},
{
"id": "mp-1093851",
"created_at": "2022-09-04T14:39:12.659738Z",
"structure_string": "Zr1 Be2 Pt1\n1.0\n-4.597053 6.902608 8.976811\n4.597053 -6.902608 8.976811\n4.597053 6.902608 -8.976811\nZr Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.276321 0.276321 Be\n0.000000 0.723679 0.723679 Be\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Pt-Zr",
"density": 0.44352943054054406,
"density_atomic": 0.0035106311109794936,
"volume": 1139.3962719381157,
"volume_molar": 171.54011827576426,
"formula_full": "Zr1 Be2 Pt1",
"formula_reduced": "ZrBe2Pt",
"formula_anonymous": "ABC2",
"energy": -10.87852217,
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"energy_uncorrected": -10.87852217,
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"updated_at": "2021-11-28T01:34:32.449000Z",
"spacegroup": 71
},
{
"id": "mp-569406",
"created_at": "2022-09-04T14:45:42.869362Z",
"structure_string": "Tm2 Zn4\n1.0\n-2.239338 3.501395 3.754183\n2.239338 -3.501395 3.754183\n2.239338 3.501395 -3.754183\nTm Zn\n2 4\ndirect\n0.219243 0.469243 0.750000 Tm\n0.780757 0.530757 0.250000 Tm\n0.376479 0.833489 0.542991 Zn\n0.623521 0.166511 0.457009 Zn\n0.209502 0.166511 0.042991 Zn\n0.790498 0.833489 0.957009 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Tm-Zn",
"density": 8.454838176072936,
"density_atomic": 0.050958315486910113,
"volume": 117.74329552830777,
"volume_molar": 11.8177783202958,
"formula_full": "Tm2 Zn4",
"formula_reduced": "TmZn2",
"formula_anonymous": "AB2",
"energy": -16.3173872,
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"updated_at": "2021-11-28T01:37:11.449000Z",
"spacegroup": 74
},
{
"id": "mp-1192963",
"created_at": "2022-09-04T14:41:24.453761Z",
"structure_string": "Ce6 Mg23 P1\n1.0\n0.000000 7.236455 7.236455\n7.236455 0.000000 7.236455\n7.236455 7.236455 0.000000\nCe Mg P\n6 23 1\ndirect\n0.801151 0.801151 0.198849 Ce\n0.198849 0.801151 0.198849 Ce\n0.801151 0.198849 0.198849 Ce\n0.198849 0.198849 0.801151 Ce\n0.801151 0.198849 0.801151 Ce\n0.198849 0.801151 0.801151 Ce\n0.829537 0.829537 0.511388 Mg\n0.829537 0.511388 0.829537 Mg\n0.511388 0.829537 0.829537 Mg\n0.829537 0.829537 0.829537 Mg\n0.170463 0.170463 0.488612 Mg\n0.170463 0.488612 0.170463 Mg\n0.488612 0.170463 0.170463 Mg\n0.170463 0.170463 0.170463 Mg\n0.620562 0.620562 0.138314 Mg\n0.620562 0.138314 0.620562 Mg\n0.138314 0.620562 0.620562 Mg\n0.620562 0.620562 0.620562 Mg\n0.379438 0.379438 0.861686 Mg\n0.379438 0.861686 0.379438 Mg\n0.861686 0.379438 0.379438 Mg\n0.379438 0.379438 0.379438 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 30,
"nelements": 3,
"elements": [
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"Mg",
"P"
],
"chemical_system": "Ce-Mg-P",
"density": 3.134624011610731,
"density_atomic": 0.03958345164953794,
"volume": 757.8924714704659,
"volume_molar": 15.2137838137981,
"formula_full": "Ce6 Mg23 P1",
"formula_reduced": "Ce6Mg23P",
"formula_anonymous": "AB6C23",
"energy": -81.57200698,
"energy_per_atom": -2.7190668993333333,
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"updated_at": "2021-11-28T01:35:17.512000Z",
"spacegroup": 225
},
{
"id": "mp-1187142",
"created_at": "2022-09-04T14:47:16.264966Z",
"structure_string": "Sr3 Ti1\n1.0\n-2.753559 2.753559 5.522682\n2.753559 -2.753559 5.522682\n2.753559 2.753559 -5.522682\nSr Ti\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Sr-Ti",
"density": 3.080557278603197,
"density_atomic": 0.023881477383557923,
"volume": 167.4938252670225,
"volume_molar": 25.21678480472135,
"formula_full": "Sr3 Ti1",
"formula_reduced": "Sr3Ti",
"formula_anonymous": "AB3",
"energy": -10.87559027,
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"energy_above_hull": null,
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"energy_uncorrected": -10.87559027,
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"updated_at": "2021-11-28T01:38:03.723000Z",
"spacegroup": 139
},
{
"id": "mp-1023156",
"created_at": "2022-09-04T14:44:55.554257Z",
"structure_string": "Ca2 Mg12 W2\n1.0\n5.073954 0.000000 0.000000\n0.000000 6.342705 0.000000\n0.000000 0.000000 11.071512\nCa Mg W\n2 12 2\ndirect\n0.000000 0.500000 0.326338 Ca\n0.000000 0.000000 0.826338 Ca\n0.000000 0.267722 0.086863 Mg\n0.000000 0.732278 0.086863 Mg\n0.000000 0.000000 0.333682 Mg\n0.500000 0.755420 0.419644 Mg\n0.500000 0.244580 0.419644 Mg\n0.500000 0.000000 0.164993 Mg\n0.000000 0.767722 0.586863 Mg\n0.000000 0.232278 0.586863 Mg\n0.000000 0.500000 0.833682 Mg\n0.500000 0.255420 0.919644 Mg\n0.500000 0.744580 0.919644 Mg\n0.500000 0.500000 0.664993 Mg\n0.500000 0.500000 0.161974 W\n0.500000 0.000000 0.661974 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ca-Mg-W",
"density": 3.446330734899149,
"density_atomic": 0.04490472169856045,
"volume": 356.30996908088906,
"volume_molar": 13.41092992497726,
"formula_full": "Ca2 Mg12 W2",
"formula_reduced": "CaMg6W",
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"energy": -43.50142328,
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"updated_at": "2021-11-28T01:36:43.900000Z",
"spacegroup": 38
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{
"id": "mp-631532",
"created_at": "2022-09-04T14:46:04.770179Z",
"structure_string": "Ba1 Be2 Te1\n1.0\n0.000000 3.625520 3.625520\n3.625520 0.000000 3.625520\n3.625520 3.625520 0.000000\nBa Be Te\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.500000 0.500000 0.500000 Te\n",
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"density": 4.9296941783437065,
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"formula_full": "Ba1 Be2 Te1",
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"updated_at": "2021-11-28T01:37:15.677000Z",
"spacegroup": 225
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{
"id": "mp-1114160",
"created_at": "2022-09-04T14:42:21.685694Z",
"structure_string": "Rb3 Ga1 I6\n1.0\n0.000000 6.283307 6.283307\n6.283307 0.000000 6.283307\n6.283307 6.283307 0.000000\nRb Ga I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.776112 0.223888 0.223888 I\n0.223888 0.223888 0.776112 I\n0.223888 0.776112 0.776112 I\n0.223888 0.776112 0.223888 I\n0.776112 0.223888 0.776112 I\n0.776112 0.776112 0.223888 I\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.020156037850802493,
"volume": 496.1292528829946,
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"formula_full": "Rb3 Ga1 I6",
"formula_reduced": "Rb3GaI6",
"formula_anonymous": "AB3C6",
"energy": -27.18264638,
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"updated_at": "2021-11-28T01:35:43.200000Z",
"spacegroup": 225
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{
"id": "mp-1064459",
"created_at": "2022-09-04T14:40:32.055677Z",
"structure_string": "P1 Br1\n1.0\n3.437410 0.000000 0.000000\n0.000000 3.437410 0.000000\n0.000000 0.000000 3.437410\nP Br\n1 1\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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],
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"density": 4.533144266693646,
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"volume": 40.615706138218016,
"volume_molar": 12.229674971557246,
"formula_full": "P1 Br1",
"formula_reduced": "PBr",
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"energy": -5.43636809,
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"updated_at": "2021-11-28T01:34:53.728000Z",
"spacegroup": 221
},
{
"id": "mp-1222536",
"created_at": "2022-09-04T14:48:01.619506Z",
"structure_string": "Li3 Mg5 Bi3 Pb1\n1.0\n15.734846 -2.446364 0.000000\n15.734846 2.446364 0.000000\n15.354499 0.000000 4.220122\nLi Mg Bi Pb\n3 5 3 1\ndirect\n0.375071 0.375071 0.375071 Li\n0.125143 0.125143 0.125143 Li\n0.875022 0.875022 0.875022 Li\n0.499523 0.499523 0.499523 Mg\n0.250445 0.250445 0.250445 Mg\n0.000055 0.000055 0.000055 Mg\n0.749803 0.749803 0.749803 Mg\n0.625557 0.625557 0.625557 Mg\n0.062521 0.062521 0.062521 Bi\n0.812593 0.812593 0.812593 Bi\n0.561916 0.561916 0.561916 Bi\n0.312351 0.312351 0.312351 Pb\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Bi-Li-Mg-Pb",
"density": 4.990889631902399,
"density_atomic": 0.03693538839916815,
"volume": 324.89166948276255,
"volume_molar": 16.304528044804936,
"formula_full": "Li3 Mg5 Bi3 Pb1",
"formula_reduced": "Li3Mg5Bi3Pb",
"formula_anonymous": "AB3C3D5",
"energy": -32.61698611,
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"updated_at": "2021-11-28T01:38:26.567000Z",
"spacegroup": 160
}
]
}