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{
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"results": [
{
"id": "mp-1094288",
"created_at": "2022-09-04T14:40:55.148285Z",
"structure_string": "Sr2 Mg1\n1.0\n-2.015359 2.132998 7.416944\n2.015359 -2.132998 7.416944\n2.015359 2.132998 -7.416944\nSr Mg\n2 1\ndirect\n0.856614 0.856614 0.000000 Sr\n0.143386 0.143386 0.000000 Sr\n0.500000 0.500000 0.000000 Mg\n",
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{
"id": "mp-1096304",
"created_at": "2022-09-04T14:44:29.537375Z",
"structure_string": "Cs1 Na2 Sb1\n1.0\n-7.034609 7.328591 10.296636\n7.034609 -7.328591 10.296636\n7.034609 7.328591 -10.296636\nCs Na Sb\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.212213 0.212213 Na\n0.000000 0.787787 0.787787 Na\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"formula_full": "Cs1 Na2 Sb1",
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"updated_at": "2021-11-28T01:36:41.324000Z",
"spacegroup": 71
},
{
"id": "mp-1187073",
"created_at": "2022-09-04T14:39:48.316610Z",
"structure_string": "Sr3\n1.0\n10.516069 -2.123055 0.000000\n10.516069 2.123055 0.000000\n10.087452 0.000000 3.652175\nSr\n3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.222383 0.222383 0.222383 Sr\n0.777617 0.777617 0.777617 Sr\n",
"nsites": 3,
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"elements": [
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"density": 2.676562283628263,
"density_atomic": 0.018396068055793996,
"volume": 163.07832689579146,
"volume_molar": 32.736021315725,
"formula_full": "Sr3",
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"formula_anonymous": "A",
"energy": -5.06848036,
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"energy_uncorrected": -5.06848036,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.079000Z",
"spacegroup": 166
},
{
"id": "mp-1097401",
"created_at": "2022-09-04T14:43:57.937336Z",
"structure_string": "Mg2 Cd1 Pd1\n1.0\n-5.594104 5.907252 8.340220\n5.594104 -5.907252 8.340220\n5.594104 5.907252 -8.340220\nMg Cd Pd\n2 1 1\ndirect\n0.000000 0.222684 0.222684 Mg\n0.000000 0.777316 0.777316 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
"Mg",
"Cd",
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],
"chemical_system": "Cd-Mg-Pd",
"density": 0.40283161995670325,
"density_atomic": 0.00362832732273127,
"volume": 1102.436369216256,
"volume_molar": 165.97567485909062,
"formula_full": "Mg2 Cd1 Pd1",
"formula_reduced": "Mg2CdPd",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"total_magnetization": 7.25e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.135000Z",
"spacegroup": 71
},
{
"id": "mp-974758",
"created_at": "2022-09-04T14:48:15.493769Z",
"structure_string": "Rb3 Tl1\n1.0\n-3.105587 3.105587 6.305778\n3.105587 -3.105587 6.305778\n3.105587 3.105587 -6.305778\nRb Tl\n3 1\ndirect\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Rb-Tl",
"density": 3.1453064404644917,
"density_atomic": 0.016442729900283583,
"volume": 243.26860711438272,
"volume_molar": 36.62494486329876,
"formula_full": "Rb3 Tl1",
"formula_reduced": "Rb3Tl",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:40:02.885000Z",
"spacegroup": 139
},
{
"id": "mp-24084",
"created_at": "2022-09-04T14:47:45.180694Z",
"structure_string": "K1 H1\n1.0\n0.000000 2.848171 2.848171\n2.848171 0.000000 2.848171\n2.848171 2.848171 0.000000\nK H\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"H"
],
"chemical_system": "H-K",
"density": 1.4412285931854134,
"density_atomic": 0.043281451756627946,
"volume": 46.2091708763842,
"volume_molar": 13.91390657102391,
"formula_full": "K1 H1",
"formula_reduced": "KH",
"formula_anonymous": "AB",
"energy": -5.059014530000001,
"energy_per_atom": -2.5295072650000003,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -4.88001453,
"band_gap": 3.4331,
"is_gap_direct": true,
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"total_magnetization": 0.0005276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.939000Z",
"spacegroup": 225
},
{
"id": "mp-2388",
"created_at": "2022-09-04T14:41:29.013828Z",
"structure_string": "Cd1 Te1\n1.0\n0.000000 3.066564 3.066564\n3.066564 0.000000 3.066564\n3.066564 3.066564 0.000000\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Te"
],
"chemical_system": "Cd-Te",
"density": 6.910256200990951,
"density_atomic": 0.03467719024912313,
"volume": 57.674799648756824,
"volume_molar": 17.36628808948061,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy": -5.05826192,
"energy_per_atom": -2.52913096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -4.63626192,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.195000Z",
"spacegroup": 225
},
{
"id": "mp-1185082",
"created_at": "2022-09-04T14:42:51.047032Z",
"structure_string": "K1 Yb3\n1.0\n-2.847707 2.847707 5.815680\n2.847707 -2.847707 5.815680\n2.847707 2.847707 -5.815680\nK Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Yb"
],
"chemical_system": "K-Yb",
"density": 4.913625674041559,
"density_atomic": 0.021203565315758375,
"volume": 188.64751943519713,
"volume_molar": 28.40154790158982,
"formula_full": "K1 Yb3",
"formula_reduced": "KYb3",
"formula_anonymous": "AB3",
"energy": -5.05654433,
"energy_per_atom": -1.2641360825,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.05654433,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.829000Z",
"spacegroup": 139
},
{
"id": "mp-1185877",
"created_at": "2022-09-04T14:39:48.028062Z",
"structure_string": "Mg2 Hg4\n1.0\n1.644471 6.689089 0.000000\n-1.644471 6.689089 0.000000\n0.000000 2.531245 6.375566\nMg Hg\n2 4\ndirect\n0.139081 0.139081 0.465357 Mg\n0.860919 0.860919 0.534643 Mg\n0.197550 0.197550 0.844764 Hg\n0.802450 0.802450 0.155236 Hg\n0.527933 0.527933 0.210128 Hg\n0.472067 0.472067 0.789872 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.074451538370871,
"density_atomic": 0.042776900665006355,
"volume": 140.26261619529393,
"volume_molar": 14.07802030156526,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.05347473,
"energy_per_atom": -0.8422457883333333,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:43.518000Z",
"spacegroup": 12
},
{
"id": "mp-1097472",
"created_at": "2022-09-04T14:41:29.615454Z",
"structure_string": "Sc1 Ag1 Hg2\n1.0\n-5.732533 6.093610 8.638878\n5.732533 -6.093610 8.638878\n5.732533 6.093610 -8.638878\nSc Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.257716 0.257716 Hg\n0.000000 0.742284 0.742284 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
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],
"chemical_system": "Ag-Hg-Sc",
"density": 0.762120308759482,
"density_atomic": 0.0033137629685971192,
"volume": 1207.0869395023142,
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"formula_full": "Sc1 Ag1 Hg2",
"formula_reduced": "ScAgHg2",
"formula_anonymous": "ABC2",
"energy": -5.05289334,
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"updated_at": "2021-11-28T01:35:20.520000Z",
"spacegroup": 71
},
{
"id": "mp-974739",
"created_at": "2022-09-04T14:47:10.850296Z",
"structure_string": "Rb3 Tl1\n1.0\n0.000000 4.912318 4.912318\n4.912318 0.000000 4.912318\n4.912318 4.912318 0.000000\nRb Tl\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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"density": 3.2274507032126274,
"density_atomic": 0.01687215576094028,
"volume": 237.07699577194285,
"volume_molar": 35.692775987414116,
"formula_full": "Rb3 Tl1",
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"energy": -5.0444306,
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"updated_at": "2021-11-28T01:37:53.253000Z",
"spacegroup": 225
},
{
"id": "mp-1096484",
"created_at": "2022-09-04T14:47:18.404151Z",
"structure_string": "Cs1 K2 As1\n1.0\n-7.761391 7.775878 11.179772\n7.761391 -7.775878 11.179772\n7.761391 7.775878 -11.179772\nCs K As\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.201409 0.201409 K\n0.000000 0.798591 0.798591 K\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"density": 0.17598234726537895,
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"volume": 2698.869831729918,
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"formula_full": "Cs1 K2 As1",
"formula_reduced": "CsK2As",
"formula_anonymous": "ABC2",
"energy": -5.04392557,
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"energy_uncorrected": -5.04392557,
"band_gap": 0.0007000000000001,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:59.349000Z",
"spacegroup": 71
}
]
}