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{
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"results": [
{
"id": "mp-1094782",
"created_at": "2022-09-04T14:40:09.356173Z",
"structure_string": "Mg1 Zn1\n1.0\n1.531854 -2.653249 0.000000\n1.531854 2.653249 0.000000\n0.000000 0.000000 4.545164\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Zn\n",
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"formula_full": "Mg1 Zn1",
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{
"id": "mp-1095838",
"created_at": "2022-09-04T14:47:15.977204Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n-6.369666 6.538755 9.236986\n6.369666 -6.538755 9.236986\n6.369666 6.538755 -9.236986\nNa Tl Hg\n2 1 1\ndirect\n0.000000 0.249656 0.249656 Na\n0.000000 0.750344 0.750344 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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"formula_full": "Na2 Tl1 Hg1",
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"updated_at": "2021-11-28T01:38:04.865000Z",
"spacegroup": 71
},
{
"id": "mp-1185042",
"created_at": "2022-09-04T14:41:07.168883Z",
"structure_string": "K1 Hg3\n1.0\n-2.542192 2.542192 4.894626\n2.542192 -2.542192 4.894626\n2.542192 2.542192 -4.894626\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Hg-K",
"density": 8.410497537707924,
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"volume": 126.53078416875049,
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"formula_full": "K1 Hg3",
"formula_reduced": "KHg3",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"total_magnetization": 0.0089341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.991000Z",
"spacegroup": 139
},
{
"id": "mp-1094477",
"created_at": "2022-09-04T14:46:34.076379Z",
"structure_string": "Mg1 Zn1\n1.0\n4.503313 -1.582605 0.000000\n4.503313 1.582605 0.000000\n3.947136 0.000000 2.684135\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 3.8937700512121878,
"density_atomic": 0.052274631258389145,
"volume": 38.25947599925032,
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"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -2.87920174,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0008936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.431000Z",
"spacegroup": 166
},
{
"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,
"nelements": 3,
"elements": [
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"La",
"Zn"
],
"chemical_system": "La-Sr-Zn",
"density": 0.48840181507350566,
"density_atomic": 0.0032923220663061956,
"volume": 1214.9479666452498,
"volume_molar": 182.914691780337,
"formula_full": "Sr1 La1 Zn2",
"formula_reduced": "SrLaZn2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:30.232000Z",
"spacegroup": 71
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{
"id": "mp-867126",
"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",
"nsites": 3,
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"elements": [
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"density": 1.5577407321531462,
"density_atomic": 0.010975986230900474,
"volume": 273.32395803797203,
"volume_molar": 54.86651161283337,
"formula_full": "Rb3",
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"formula_anonymous": "A",
"energy": -2.86837605,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.529000Z",
"spacegroup": 166
},
{
"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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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tl",
"density": 0.8580829460102267,
"density_atomic": 0.002863800639660102,
"volume": 1396.745270814225,
"volume_molar": 210.28491566768957,
"formula_full": "Tl2 Cd1 Hg1",
"formula_reduced": "Tl2CdHg",
"formula_anonymous": "ABC2",
"energy": -2.86817996,
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"energy_uncorrected": -2.86817996,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.220000Z",
"spacegroup": 71
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{
"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,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-K",
"density": 8.292136465656185,
"density_atomic": 0.03116797196214411,
"volume": 128.33687109505573,
"volume_molar": 19.321567560810024,
"formula_full": "K1 Hg3",
"formula_reduced": "KHg3",
"formula_anonymous": "AB3",
"energy": -2.86413494,
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"updated_at": "2021-11-28T01:36:50.138000Z",
"spacegroup": 225
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{
"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": [
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"chemical_system": "Sr",
"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-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,
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"elements": [
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"density": 8.168823537486567,
"density_atomic": 0.030704470920684058,
"volume": 130.27418744106745,
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"formula_full": "K1 Hg3",
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"energy": -2.86136754,
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"updated_at": "2021-11-28T01:37:31.026000Z",
"spacegroup": 221
},
{
"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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"density": 0.37243443669715726,
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"volume": 1593.3904867923238,
"volume_molar": 239.8905449277074,
"formula_full": "Sr2 Cd1 Ga1",
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"formula_anonymous": "ABC2",
"energy": -2.85206477,
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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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"volume": 85.71428395988642,
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"formula_full": "Sr1 Mg1",
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"updated_at": "2021-11-28T01:35:36.456000Z",
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}
]
}