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{
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"results": [
{
"id": "mp-1097089",
"created_at": "2022-09-04T14:44:19.043024Z",
"structure_string": "Cs1 Rb1 Na2\n1.0\n-7.672120 8.188441 10.868048\n7.672120 -8.188441 10.868048\n7.672120 8.188441 -10.868048\nCs Rb Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.753124 0.000000 0.753124 Na\n0.246876 0.000000 0.246876 Na\n",
"nsites": 4,
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"elements": [
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"density": 0.1607329243172449,
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"volume": 2731.0405617777787,
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"formula_full": "Cs1 Rb1 Na2",
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"updated_at": "2021-11-28T01:36:33.616000Z",
"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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"elements": [
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],
"chemical_system": "Hg-Li-Tl",
"density": 0.8316142656620669,
"density_atomic": 0.003270571760930784,
"volume": 1223.027743278021,
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"formula_full": "Li1 Tl1 Hg2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.572000Z",
"spacegroup": 71
},
{
"id": "mp-11464",
"created_at": "2022-09-04T14:41:50.398132Z",
"structure_string": "Mg1 Hg2\n1.0\n-1.957061 1.957061 4.481986\n1.957061 -1.957061 4.481986\n1.957061 1.957061 -4.481986\nMg Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666520 0.666520 0.000000 Hg\n0.333480 0.333480 0.000000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.28949687666519,
"density_atomic": 0.04368999980888058,
"volume": 68.66559883550765,
"volume_molar": 13.78379671857064,
"formula_full": "Mg1 Hg2",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -2.57212256,
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"energy_above_hull": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -2.57212256,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.0003275,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.388000Z",
"spacegroup": 139
},
{
"id": "mp-1096162",
"created_at": "2022-09-04T14:40:31.663083Z",
"structure_string": "Mg2 Cd1 Ga1\n1.0\n-5.520032 5.951147 8.421434\n5.520032 -5.951147 8.421434\n5.520032 5.951147 -8.421434\nMg Cd Ga\n2 1 1\ndirect\n0.000000 0.245625 0.245625 Mg\n0.000000 0.754375 0.754375 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Mg",
"density": 0.34625113078598735,
"density_atomic": 0.003614695157617059,
"volume": 1106.5940074008754,
"volume_molar": 166.6016219185138,
"formula_full": "Mg2 Cd1 Ga1",
"formula_reduced": "Mg2CdGa",
"formula_anonymous": "ABC2",
"energy": -2.57092258,
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"energy_above_hull": null,
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"energy_uncorrected": -2.57092258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1475153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.535000Z",
"spacegroup": 71
},
{
"id": "mp-1096613",
"created_at": "2022-09-04T14:48:09.416241Z",
"structure_string": "Sr1 La1 Mg2\n1.0\n-5.999535 7.090681 8.502101\n5.999535 -7.090681 8.502101\n5.999535 7.090681 -8.502101\nSr La Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.741224 0.000000 0.741224 Mg\n0.258776 0.000000 0.258776 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"La",
"Mg"
],
"chemical_system": "La-Mg-Sr",
"density": 0.315794011479698,
"density_atomic": 0.0027648285245853665,
"volume": 1446.7443331227453,
"volume_molar": 217.81245044493755,
"formula_full": "Sr1 La1 Mg2",
"formula_reduced": "SrLaMg2",
"formula_anonymous": "ABC2",
"energy": -2.5548613,
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"energy_uncorrected": -2.5548613,
"band_gap": 0.0051000000000001,
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"is_magnetic": true,
"total_magnetization": 3.011209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.078000Z",
"spacegroup": 71
},
{
"id": "mp-79",
"created_at": "2022-09-04T14:40:23.632045Z",
"structure_string": "Zn2\n1.0\n1.313365 -2.274816 0.000000\n1.313365 2.274816 0.000000\n0.000000 0.000000 5.207234\nZn\n2\ndirect\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zn"
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"chemical_system": "Zn",
"density": 6.981484851061407,
"density_atomic": 0.06427782797692787,
"volume": 31.114928163376767,
"volume_molar": 9.36892385685716,
"formula_full": "Zn2",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -2.51948722,
"energy_per_atom": -1.25974361,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -2.51948722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006365,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.321000Z",
"spacegroup": 194
},
{
"id": "mp-1038783",
"created_at": "2022-09-04T14:41:07.861283Z",
"structure_string": "Ca1 Zn1\n1.0\n0.000000 3.381874 3.381874\n3.381874 0.000000 3.381874\n3.381874 3.381874 0.000000\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.264361564943383,
"density_atomic": 0.025853999223288834,
"volume": 77.35747118760779,
"volume_molar": 23.292879016470923,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -2.50799876,
"energy_per_atom": -1.25399938,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.50799876,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0004299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.541000Z",
"spacegroup": 216
},
{
"id": "mp-1096303",
"created_at": "2022-09-04T14:39:44.885388Z",
"structure_string": "Mg2 Zn1 Ga1\n1.0\n-5.327614 5.571841 7.876203\n5.327614 -5.571841 7.876203\n5.327614 5.571841 -7.876203\nMg Zn Ga\n2 1 1\ndirect\n0.000000 0.252483 0.252483 Mg\n0.000000 0.747517 0.747517 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Ga"
],
"chemical_system": "Ga-Mg-Zn",
"density": 0.3262489917037634,
"density_atomic": 0.004277121946048481,
"volume": 935.2083130796618,
"volume_molar": 140.79890253219682,
"formula_full": "Mg2 Zn1 Ga1",
"formula_reduced": "Mg2ZnGa",
"formula_anonymous": "ABC2",
"energy": -2.48907358,
"energy_per_atom": -0.622268395,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -2.48907358,
"band_gap": 0.0707999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.439000Z",
"spacegroup": 71
},
{
"id": "mp-1096458",
"created_at": "2022-09-04T14:39:47.711976Z",
"structure_string": "Na1 Tl1 Cd2\n1.0\n-6.044578 6.146596 8.418492\n6.044578 -6.146596 8.418492\n6.044578 6.146596 -8.418492\nNa Tl Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249998 0.249998 Cd\n0.000000 0.750002 0.750002 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Cd"
],
"chemical_system": "Cd-Na-Tl",
"density": 0.6001778590395918,
"density_atomic": 0.0031971649360757522,
"volume": 1251.1084288662503,
"volume_molar": 188.35877661637514,
"formula_full": "Na1 Tl1 Cd2",
"formula_reduced": "NaTlCd2",
"formula_anonymous": "ABC2",
"energy": -2.48301332,
"energy_per_atom": -0.62075333,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -2.48301332,
"band_gap": 0.0,
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"total_magnetization": 0.0015969,
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"updated_at": "2021-11-28T01:34:28.332000Z",
"spacegroup": 71
},
{
"id": "mp-1097233",
"created_at": "2022-09-04T14:45:55.108501Z",
"structure_string": "Na1 Ga1 Hg2\n1.0\n-5.764739 6.117765 8.610543\n5.764739 -6.117765 8.610543\n5.764739 6.117765 -8.610543\nNa Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ga\n0.000000 0.254056 0.254056 Hg\n0.000000 0.745944 0.745944 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Hg-Na",
"density": 0.6751787954370948,
"density_atomic": 0.003293040107974881,
"volume": 1214.683049354014,
"volume_molar": 182.8748075498975,
"formula_full": "Na1 Ga1 Hg2",
"formula_reduced": "NaGaHg2",
"formula_anonymous": "ABC2",
"energy": -2.48039593,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:09.436000Z",
"spacegroup": 71
},
{
"id": "mp-1096191",
"created_at": "2022-09-04T14:41:23.447638Z",
"structure_string": "Sr2 Tl1 Zn1\n1.0\n-6.678886 6.935095 9.774679\n6.678886 -6.935095 9.774679\n6.678886 6.935095 -9.774679\nSr Tl Zn\n2 1 1\ndirect\n0.000000 0.259326 0.259326 Sr\n0.000000 0.740674 0.740674 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 0.4080578054107514,
"density_atomic": 0.0022087219675960184,
"volume": 1811.002044930814,
"volume_molar": 272.65273078053013,
"formula_full": "Sr2 Tl1 Zn1",
"formula_reduced": "Sr2TlZn",
"formula_anonymous": "ABC2",
"energy": -2.46536251,
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"updated_at": "2021-11-28T01:35:17.104000Z",
"spacegroup": 71
},
{
"id": "mp-1097264",
"created_at": "2022-09-04T14:44:41.733018Z",
"structure_string": "Ba1 Sr1 Li2\n1.0\n-6.924035 7.503776 9.626771\n6.924035 -7.503776 9.626771\n6.924035 7.503776 -9.626771\nBa Sr Li\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.245886 0.000000 0.245886 Li\n0.754114 0.000000 0.754114 Li\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-Li-Sr",
"density": 0.1982240794472177,
"density_atomic": 0.0019993104838442514,
"volume": 2000.6897539539962,
"volume_molar": 301.2108828850183,
"formula_full": "Ba1 Sr1 Li2",
"formula_reduced": "BaSrLi2",
"formula_anonymous": "ABC2",
"energy": -2.45863386,
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"energy_above_hull": null,
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"energy_uncorrected": -2.45863386,
"band_gap": 0.3457000000000001,
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"updated_at": "2021-11-28T01:36:46.308000Z",
"spacegroup": 71
}
]
}