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{
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"results": [
{
"id": "mp-1096500",
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"structure_string": "Tl1 In1 Hg2\n1.0\n-6.140723 6.281131 8.838923\n6.140723 -6.281131 8.838923\n6.140723 6.281131 -8.838923\nTl In Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.000000 0.246436 0.246436 Hg\n0.000000 0.753564 0.753564 Hg\n",
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{
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"spacegroup": 225
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{
"id": "mp-1097500",
"created_at": "2022-09-04T14:45:13.275230Z",
"structure_string": "Li1 Ga1 Hg2\n1.0\n-5.539625 5.540474 7.790277\n5.539625 -5.540474 7.790277\n5.539625 5.540474 -7.790277\nLi Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n0.756542 0.000000 0.756542 Hg\n0.243458 0.000000 0.243458 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.8296502633732908,
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"volume": 956.4013473752066,
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"formula_full": "Li1 Ga1 Hg2",
"formula_reduced": "LiGaHg2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.652000Z",
"spacegroup": 71
},
{
"id": "mp-1097383",
"created_at": "2022-09-04T14:47:12.686029Z",
"structure_string": "Sr1 Sn1 Hg2\n1.0\n-6.172144 6.561467 9.255419\n6.172144 -6.561467 9.255419\n6.172144 6.561467 -9.255419\nSr Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sn\n0.000000 0.266717 0.266717 Hg\n0.000000 0.733283 0.733283 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Sn-Sr",
"density": 0.6728363621384672,
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"volume": 1499.3156510506187,
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"formula_full": "Sr1 Sn1 Hg2",
"formula_reduced": "SrSnHg2",
"formula_anonymous": "ABC2",
"energy": -2.84186983,
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"updated_at": "2021-11-28T01:37:58.782000Z",
"spacegroup": 71
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{
"id": "mp-1094298",
"created_at": "2022-09-04T14:41:52.714085Z",
"structure_string": "Sr1 Mg1\n1.0\n0.000000 3.499514 3.499514\n3.499514 0.000000 3.499514\n3.499514 3.499514 0.000000\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Mg-Sr",
"density": 2.1683181197218424,
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"volume": 85.71428395988642,
"volume_molar": 25.809174157452308,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
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"updated_at": "2021-11-28T01:35:36.456000Z",
"spacegroup": 225
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{
"id": "mp-1096106",
"created_at": "2022-09-04T14:47:29.210842Z",
"structure_string": "Sr2 Cd1 Ga1\n1.0\n-6.538480 6.622402 9.199620\n6.538480 -6.622402 9.199620\n6.538480 6.622402 -9.199620\nSr Cd Ga\n2 1 1\ndirect\n0.770713 0.000000 0.770713 Sr\n0.229287 0.000000 0.229287 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
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"density": 0.37243443669715726,
"density_atomic": 0.002510370203133605,
"volume": 1593.3904867923238,
"volume_molar": 239.8905449277074,
"formula_full": "Sr2 Cd1 Ga1",
"formula_reduced": "Sr2CdGa",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:14.800000Z",
"spacegroup": 71
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{
"id": "mp-1185041",
"created_at": "2022-09-04T14:46:25.564294Z",
"structure_string": "K1 Hg3\n1.0\n5.069356 0.000000 0.000000\n0.000000 5.069356 0.000000\n0.000000 0.000000 5.069356\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-K",
"density": 8.168823537486567,
"density_atomic": 0.030704470920684058,
"volume": 130.27418744106745,
"volume_molar": 19.61323735411831,
"formula_full": "K1 Hg3",
"formula_reduced": "KHg3",
"formula_anonymous": "AB3",
"energy": -2.86136754,
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"energy_above_hull": null,
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"energy_uncorrected": -2.86136754,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.026000Z",
"spacegroup": 221
},
{
"id": "mp-10617",
"created_at": "2022-09-04T14:47:56.399157Z",
"structure_string": "Sr2\n1.0\n-3.726228 3.726228 1.999494\n3.726228 -3.726228 1.999494\n3.726228 3.726228 -1.999494\nSr\n2\ndirect\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sr"
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"density": 2.6203746873220624,
"density_atomic": 0.018009889541711673,
"volume": 111.05009807905344,
"volume_molar": 33.437966102193265,
"formula_full": "Sr2",
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"formula_anonymous": "A",
"energy": -2.86168915,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:17.981000Z",
"spacegroup": 141
},
{
"id": "mp-1184994",
"created_at": "2022-09-04T14:45:08.682830Z",
"structure_string": "K1 Hg3\n1.0\n0.000000 4.003506 4.003506\n4.003506 0.000000 4.003506\n4.003506 4.003506 0.000000\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-K",
"density": 8.292136465656185,
"density_atomic": 0.03116797196214411,
"volume": 128.33687109505573,
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"formula_full": "K1 Hg3",
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"energy": -2.86413494,
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"updated_at": "2021-11-28T01:36:50.138000Z",
"spacegroup": 225
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{
"id": "mp-1096332",
"created_at": "2022-09-04T14:42:26.549781Z",
"structure_string": "Tl2 Cd1 Hg1\n1.0\n-6.215821 6.300811 8.915840\n6.215821 -6.300811 8.915840\n6.215821 6.300811 -8.915840\nTl Cd Hg\n2 1 1\ndirect\n0.000000 0.248780 0.248780 Tl\n0.000000 0.751220 0.751220 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Hg-Tl",
"density": 0.8580829460102267,
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"volume": 1396.745270814225,
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"formula_full": "Tl2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:35:43.220000Z",
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{
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"created_at": "2022-09-04T14:41:50.511525Z",
"structure_string": "Rb3\n1.0\n12.341583 -2.537458 0.000000\n12.341583 2.537458 0.000000\n11.819876 0.000000 4.363932\nRb\n3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.777799 0.777799 0.777799 Rb\n0.222201 0.222201 0.222201 Rb\n",
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"volume": 273.32395803797203,
"volume_molar": 54.86651161283337,
"formula_full": "Rb3",
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{
"id": "mp-1095906",
"created_at": "2022-09-04T14:39:20.910511Z",
"structure_string": "Sr1 La1 Zn2\n1.0\n-5.783109 6.413229 8.189541\n5.783109 -6.413229 8.189541\n5.783109 6.413229 -8.189541\nSr La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.263199 0.000000 0.263199 Zn\n0.736801 0.000000 0.736801 Zn\n",
"nsites": 4,
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"volume": 1214.9479666452498,
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"formula_full": "Sr1 La1 Zn2",
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"updated_at": "2021-11-28T01:34:30.232000Z",
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]
}