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{
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"results": [
{
"id": "mp-1039255",
"created_at": "2022-09-04T14:47:18.932203Z",
"structure_string": "Mg4 Cd2\n1.0\n1.613292 -8.089837 0.000000\n1.613292 8.089837 0.000000\n0.000000 0.000000 5.153413\nMg Cd\n4 2\ndirect\n0.612692 0.387308 0.250000 Mg\n0.943571 0.056429 0.250000 Mg\n0.056429 0.943571 0.750000 Mg\n0.387308 0.612692 0.750000 Mg\n0.279447 0.720553 0.250000 Cd\n0.720553 0.279447 0.750000 Cd\n",
"nsites": 6,
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{
"id": "mp-1097464",
"created_at": "2022-09-04T14:47:07.532991Z",
"structure_string": "Hf1 Mg1 Zn2\n1.0\n-5.584692 5.618520 7.933105\n5.584692 -5.618520 7.933105\n5.584692 5.618520 -7.933105\nHf Mg Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.251739 0.251739 Zn\n0.000000 0.748261 0.748261 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
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"updated_at": "2021-11-28T01:37:52.586000Z",
"spacegroup": 71
},
{
"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,
"volume_molar": 11.520197493566355,
"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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"energy_uncorrected": -2.87920174,
"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-1185006",
"created_at": "2022-09-04T14:43:07.585113Z",
"structure_string": "K1 Sr3\n1.0\n6.152297 0.000000 0.000000\n0.000000 6.152297 0.000000\n0.000000 0.000000 6.152297\nK Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sr"
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"chemical_system": "K-Sr",
"density": 2.153199106789474,
"density_atomic": 0.01717703154359202,
"volume": 232.8691072056755,
"volume_molar": 35.05926355620271,
"formula_full": "K1 Sr3",
"formula_reduced": "KSr3",
"formula_anonymous": "AB3",
"energy": -5.75997467,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.600000Z",
"spacegroup": 221
},
{
"id": "mp-1094697",
"created_at": "2022-09-04T14:45:19.586308Z",
"structure_string": "Mg4 Cd2\n1.0\n2.708828 -4.720847 0.000000\n2.708828 4.720847 0.000000\n0.000000 0.000000 5.143329\nMg Cd\n4 2\ndirect\n0.665395 0.993214 0.750000 Mg\n0.993214 0.665395 0.750000 Mg\n0.006786 0.334605 0.250000 Mg\n0.334605 0.006786 0.250000 Mg\n0.328890 0.328890 0.750000 Cd\n0.671110 0.671110 0.250000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.065237809303619,
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"volume": 131.54539713818193,
"volume_molar": 13.203081631603881,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.64247878,
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"band_gap": 0.0,
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"total_magnetization": 0.0004087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.869000Z",
"spacegroup": 63
},
{
"id": "mp-1094483",
"created_at": "2022-09-04T14:39:35.753923Z",
"structure_string": "Mg2 Zn4\n1.0\n1.490278 -7.321953 0.000000\n1.490278 7.321953 0.000000\n0.000000 0.000000 4.669748\nMg Zn\n2 4\ndirect\n0.110203 0.889797 0.250000 Mg\n0.889797 0.110203 0.750000 Mg\n0.443334 0.556666 0.250000 Zn\n0.779339 0.220661 0.250000 Zn\n0.220661 0.779339 0.750000 Zn\n0.556666 0.443334 0.750000 Zn\n",
"nsites": 6,
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"elements": [
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"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.055191600963234,
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"volume": 101.9102031974852,
"volume_molar": 10.228626475590966,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.64373177,
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"band_gap": 0.0,
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"total_magnetization": 0.0024647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.727000Z",
"spacegroup": 63
},
{
"id": "mp-1016219",
"created_at": "2022-09-04T14:45:55.270790Z",
"structure_string": "Na1 Mg3\n1.0\n3.163250 0.000000 0.000000\n0.000000 5.434425 0.000000\n0.000000 0.000000 5.909100\nNa Mg\n1 3\ndirect\n0.500000 0.000000 0.160262 Na\n0.000000 0.000000 0.661411 Mg\n0.000000 0.500000 0.349921 Mg\n0.500000 0.500000 0.828407 Mg\n",
"nsites": 4,
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"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.56776457344927,
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"volume": 101.58005784779438,
"volume_molar": 15.29323516920901,
"formula_full": "Na1 Mg3",
"formula_reduced": "NaMg3",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:37:16.016000Z",
"spacegroup": 25
},
{
"id": "mp-1095888",
"created_at": "2022-09-04T14:39:34.442668Z",
"structure_string": "Tl1 Hg1 Pb2\n1.0\n-5.742107 6.598183 9.379984\n5.742107 -6.598183 9.379984\n5.742107 6.598183 -9.379984\nTl Hg Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.253090 0.253090 Pb\n0.000000 0.746910 0.746910 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Tl",
"density": 0.957134959180736,
"density_atomic": 0.0028138585684913888,
"volume": 1421.5355543418605,
"volume_molar": 214.0171800897828,
"formula_full": "Tl1 Hg1 Pb2",
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"formula_anonymous": "ABC2",
"energy": -5.7666566,
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"updated_at": "2021-11-28T01:34:27.312000Z",
"spacegroup": 71
},
{
"id": "mp-1026824",
"created_at": "2022-09-04T14:43:43.826581Z",
"structure_string": "K1 Mg14 Cd1\n1.0\n6.531762 0.000000 -0.000000\n-3.265881 5.656671 0.000000\n-0.000000 -0.000000 10.567185\nK Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 K\n0.173877 0.836938 0.125000 Mg\n0.163522 0.831761 0.625000 Mg\n0.663062 0.326123 0.125000 Mg\n0.668239 0.336478 0.625000 Mg\n0.663062 0.836938 0.125000 Mg\n0.668239 0.831761 0.625000 Mg\n0.337488 0.162512 0.388394 Mg\n0.337488 0.162512 0.861606 Mg\n0.337488 0.674978 0.388394 Mg\n0.337488 0.674978 0.861606 Mg\n0.825022 0.162512 0.388394 Mg\n0.825022 0.162512 0.861606 Mg\n0.833333 0.666667 0.370346 Mg\n0.833333 0.666667 0.879654 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
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"elements": [
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"Mg",
"Cd"
],
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"density": 2.0915524462144273,
"density_atomic": 0.0409797589849866,
"volume": 390.4366544923259,
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"formula_full": "K1 Mg14 Cd1",
"formula_reduced": "KMg14Cd",
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"energy": -23.07021519,
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"updated_at": "2021-11-28T01:36:13.411000Z",
"spacegroup": 187
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{
"id": "mp-1097079",
"created_at": "2022-09-04T14:47:00.583925Z",
"structure_string": "Sc1 Cu1 Hg2\n1.0\n-5.553335 5.557833 8.830438\n5.553335 -5.557833 8.830438\n5.553335 5.557833 -8.830438\nSc Cu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Cu\n0.732751 0.000000 0.732751 Hg\n0.267249 0.000000 0.267249 Hg\n",
"nsites": 4,
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"density": 0.7763306201297278,
"density_atomic": 0.0036690902009761336,
"volume": 1090.1885156532348,
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"formula_full": "Sc1 Cu1 Hg2",
"formula_reduced": "ScCuHg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:52.466000Z",
"spacegroup": 71
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{
"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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"energy": -2.88577975,
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"updated_at": "2021-11-28T01:34:48.290000Z",
"spacegroup": 187
},
{
"id": "mp-1026850",
"created_at": "2022-09-04T14:42:22.300284Z",
"structure_string": "Rb1 Li1 Mg14\n1.0\n6.630365 0.000000 0.000000\n-3.315182 5.742063 -0.000000\n-0.000000 -0.000000 10.467008\nRb Li Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Rb\n0.166667 0.333333 0.125000 Li\n0.165592 0.832796 0.125000 Mg\n0.172552 0.836275 0.625000 Mg\n0.667204 0.334408 0.125000 Mg\n0.663725 0.327448 0.625000 Mg\n0.667204 0.832796 0.125000 Mg\n0.663725 0.836275 0.625000 Mg\n0.338488 0.161512 0.359560 Mg\n0.338488 0.161512 0.890440 Mg\n0.338488 0.676977 0.359560 Mg\n0.338488 0.676977 0.890440 Mg\n0.823023 0.161512 0.359560 Mg\n0.823023 0.161512 0.890440 Mg\n0.833333 0.666667 0.379295 Mg\n0.833333 0.666667 0.870705 Mg\n",
"nsites": 16,
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"elements": [
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"Li",
"Mg"
],
"chemical_system": "Li-Mg-Rb",
"density": 1.8029628074055968,
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"volume": 398.49965165031705,
"volume_molar": 14.998881219057349,
"formula_full": "Rb1 Li1 Mg14",
"formula_reduced": "RbLiMg14",
"formula_anonymous": "ABC14",
"energy": -23.09253092,
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"updated_at": "2021-11-28T01:35:45.786000Z",
"spacegroup": 187
}
]
}