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{
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"results": [
{
"id": "mp-1187971",
"created_at": "2022-09-04T14:41:30.348449Z",
"structure_string": "Yb6 Si2\n1.0\n3.399139 -5.887481 0.000000\n3.399139 5.887481 0.000000\n0.000000 0.000000 5.303036\nYb Si\n6 2\ndirect\n0.176282 0.352565 0.250000 Yb\n0.647435 0.823718 0.250000 Yb\n0.176282 0.823718 0.250000 Yb\n0.823718 0.647435 0.750000 Yb\n0.352565 0.176282 0.750000 Yb\n0.823718 0.176282 0.750000 Yb\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
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"volume": 212.25259764395062,
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"formula_full": "Yb6 Si2",
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},
{
"id": "mp-1021341",
"created_at": "2022-09-04T14:41:29.651442Z",
"structure_string": "Mg12 Ti2 Sb2\n1.0\n5.051157 0.000000 0.000000\n0.000000 6.400741 0.000000\n0.000000 0.000000 10.737899\nMg Ti Sb\n12 2 2\ndirect\n0.500000 0.756504 0.919316 Mg\n0.500000 0.243496 0.919316 Mg\n0.500000 0.500000 0.164970 Mg\n0.000000 0.752377 0.084174 Mg\n0.000000 0.247623 0.084174 Mg\n0.000000 0.500000 0.333425 Mg\n0.500000 0.256504 0.419316 Mg\n0.500000 0.743496 0.419316 Mg\n0.500000 0.000000 0.664970 Mg\n0.000000 0.252377 0.584174 Mg\n0.000000 0.747623 0.584174 Mg\n0.000000 0.000000 0.833425 Mg\n0.500000 0.500000 0.668909 Ti\n0.500000 0.000000 0.168909 Ti\n0.000000 0.500000 0.825716 Sb\n0.000000 0.000000 0.325716 Sb\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.0177191969050536,
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"volume": 347.1685986354663,
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"formula_full": "Mg12 Ti2 Sb2",
"formula_reduced": "Mg6TiSb",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:35:25.489000Z",
"spacegroup": 38
},
{
"id": "mp-1023169",
"created_at": "2022-09-04T14:45:28.530759Z",
"structure_string": "Mg12 Mn2 Cu2\n1.0\n4.840003 0.000000 0.000000\n0.000000 6.169200 0.000000\n0.000000 0.000000 10.577263\nMg Mn Cu\n12 2 2\ndirect\n0.500000 0.248220 0.583365 Mg\n0.500000 0.751780 0.583365 Mg\n0.000000 0.248199 0.411700 Mg\n0.000000 0.751801 0.411700 Mg\n0.000000 0.000000 0.671095 Mg\n0.000000 0.000000 0.172366 Mg\n0.500000 0.748220 0.083365 Mg\n0.500000 0.251780 0.083365 Mg\n0.000000 0.748199 0.911700 Mg\n0.000000 0.251801 0.911700 Mg\n0.000000 0.500000 0.171095 Mg\n0.000000 0.500000 0.672366 Mg\n0.500000 0.000000 0.832525 Mn\n0.500000 0.500000 0.332525 Mn\n0.500000 0.000000 0.333887 Cu\n0.500000 0.500000 0.833887 Cu\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cu-Mg-Mn",
"density": 2.7794031820971696,
"density_atomic": 0.05066081811026077,
"volume": 315.82593011381675,
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"formula_full": "Mg12 Mn2 Cu2",
"formula_reduced": "Mg6MnCu",
"formula_anonymous": "ABC6",
"energy": -43.79818589,
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"updated_at": "2021-11-28T01:36:59.270000Z",
"spacegroup": 38
},
{
"id": "mp-1207783",
"created_at": "2022-09-04T14:44:18.630820Z",
"structure_string": "Y8 Mg12 Zn16\n1.0\n4.766754 -8.256261 0.000000\n4.766754 8.256261 0.000000\n0.000000 0.000000 9.443180\nY Mg Zn\n8 12 16\ndirect\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.212325 0.424650 0.250000 Y\n0.787675 0.575350 0.750000 Y\n0.575350 0.787675 0.250000 Y\n0.424650 0.212325 0.750000 Y\n0.212325 0.787675 0.250000 Y\n0.787675 0.212325 0.750000 Y\n0.163265 0.326531 0.584632 Mg\n0.836735 0.673469 0.415368 Mg\n0.673469 0.836735 0.584632 Mg\n0.836735 0.673469 0.084632 Mg\n0.326531 0.163265 0.415368 Mg\n0.163265 0.326531 0.915368 Mg\n0.163265 0.836735 0.584632 Mg\n0.326531 0.163265 0.084632 Mg\n0.836735 0.163265 0.415368 Mg\n0.673469 0.836735 0.915368 Mg\n0.836735 0.163265 0.084632 Mg\n0.163265 0.836735 0.915368 Mg\n0.565448 0.130896 0.250000 Zn\n0.434552 0.869104 0.750000 Zn\n0.869104 0.434552 0.250000 Zn\n0.130896 0.565448 0.750000 Zn\n0.565448 0.434552 0.250000 Zn\n0.434552 0.565448 0.750000 Zn\n0.333333 0.666667 0.001505 Zn\n0.666667 0.333333 0.998495 Zn\n0.666667 0.333333 0.501505 Zn\n0.333333 0.666667 0.498495 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Mg-Y-Zn",
"density": 4.578594449410537,
"density_atomic": 0.04843374867091265,
"volume": 743.2833713658043,
"volume_molar": 12.433769685922853,
"formula_full": "Y8 Mg12 Zn16",
"formula_reduced": "Y2Mg3Zn4",
"formula_anonymous": "A2B3C4",
"energy": -98.54474271,
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"updated_at": "2021-11-28T01:36:30.527000Z",
"spacegroup": 194
},
{
"id": "mp-1223839",
"created_at": "2022-09-04T14:41:35.980950Z",
"structure_string": "In1 Ag3\n1.0\n1.551904 -2.596151 0.000000\n1.551904 2.596151 0.000000\n0.000000 0.000000 9.859954\nIn Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.742871 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.257129 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.163098286508887,
"density_atomic": 0.05034545910556698,
"volume": 79.4510581701637,
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"formula_full": "In1 Ag3",
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"formula_anonymous": "AB3",
"energy": -10.94833277,
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"updated_at": "2021-11-28T01:35:28.760000Z",
"spacegroup": 65
},
{
"id": "mp-1185691",
"created_at": "2022-09-04T14:44:56.112460Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n7.289392 5.226184 0.000000\n-7.289392 5.226184 0.000000\n0.000000 5.053625 7.498778\nMg Al Pt\n16 12 1\ndirect\n0.994835 0.994835 0.006693 Mg\n0.694323 0.694323 0.702687 Mg\n0.010136 0.010136 0.648487 Mg\n0.615158 0.615158 0.330890 Mg\n0.334016 0.582881 0.014788 Mg\n0.407926 0.713886 0.597014 Mg\n0.998913 0.317350 0.399540 Mg\n0.003592 0.354164 0.003629 Mg\n0.297520 0.677321 0.309902 Mg\n0.603182 0.006787 0.676668 Mg\n0.006787 0.603182 0.676668 Mg\n0.677321 0.297520 0.309902 Mg\n0.354164 0.003592 0.003629 Mg\n0.317350 0.998913 0.399540 Mg\n0.713886 0.407926 0.597014 Mg\n0.582881 0.334016 0.014788 Mg\n0.183684 0.183684 0.191101 Al\n0.363451 0.363451 0.826685 Al\n0.651567 0.835100 0.979827 Al\n0.184156 0.369657 0.632537 Al\n0.815290 0.001345 0.361446 Al\n0.635267 0.005768 0.178847 Al\n0.820127 0.198059 0.814006 Al\n0.198059 0.820127 0.814006 Al\n0.005768 0.635267 0.178847 Al\n0.001345 0.815290 0.361446 Al\n0.369657 0.184156 0.632537 Al\n0.835100 0.651567 0.979827 Al\n0.321626 0.321626 0.357315 Pt\n",
"nsites": 29,
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"Al",
"Pt"
],
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"density": 2.6382457982348733,
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"volume": 571.3424517017347,
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"formula_full": "Mg16 Al12 Pt1",
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"formula_anonymous": "AB12C16",
"energy": -79.37231386,
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"updated_at": "2021-11-28T01:36:46.673000Z",
"spacegroup": 8
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{
"id": "mp-644236",
"created_at": "2022-09-04T14:43:16.874995Z",
"structure_string": "Cs8 Mg4 H16\n1.0\n6.634197 0.000000 0.000000\n0.000000 8.656908 0.000000\n0.000000 0.000000 11.704485\nCs Mg H\n8 4 16\ndirect\n0.250000 0.158884 0.918094 Cs\n0.250000 0.658884 0.581906 Cs\n0.750000 0.841116 0.081906 Cs\n0.750000 0.341116 0.418094 Cs\n0.250000 0.491624 0.190599 Cs\n0.250000 0.991624 0.309401 Cs\n0.750000 0.508376 0.809401 Cs\n0.750000 0.008376 0.690599 Cs\n0.250000 0.735810 0.911509 Mg\n0.250000 0.235810 0.588491 Mg\n0.750000 0.264190 0.088491 Mg\n0.750000 0.764190 0.411509 Mg\n0.250000 0.521853 0.912713 H\n0.250000 0.021853 0.587287 H\n0.750000 0.478147 0.087287 H\n0.750000 0.978147 0.412713 H\n0.250000 0.818151 0.059647 H\n0.250000 0.318151 0.440353 H\n0.750000 0.181849 0.940353 H\n0.750000 0.681849 0.559647 H\n0.020534 0.812809 0.840628 H\n0.479466 0.312809 0.659372 H\n0.520534 0.187191 0.159372 H\n0.979466 0.687191 0.340628 H\n0.979466 0.187191 0.159372 H\n0.520534 0.687191 0.340628 H\n0.479466 0.812809 0.840628 H\n0.020534 0.312809 0.659372 H\n",
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"formula_full": "Cs8 Mg4 H16",
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{
"id": "mp-9281",
"created_at": "2022-09-04T14:43:59.293865Z",
"structure_string": "Zn3 Te3\n1.0\n2.174514 -3.766369 0.000000\n2.174514 3.766369 0.000000\n0.000000 0.000000 9.775960\nZn Te\n3 3\ndirect\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.333333 Zn\n0.500000 0.500000 0.666667 Zn\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.833333 Te\n0.500000 0.500000 0.166667 Te\n",
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"updated_at": "2021-11-28T01:36:11.995000Z",
"spacegroup": 181
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{
"id": "mp-1074669",
"created_at": "2022-09-04T14:47:14.556234Z",
"structure_string": "Mg4 Si2\n1.0\n2.977874 0.000000 0.000000\n-0.000264 5.035677 0.000000\n-1.470896 -0.354466 7.593252\nMg Si\n4 2\ndirect\n0.768663 0.751515 0.540258 Mg\n0.564694 0.255038 0.113845 Mg\n0.231337 0.248485 0.459742 Mg\n0.435306 0.744962 0.886155 Mg\n0.883792 0.243334 0.777368 Si\n0.116208 0.756666 0.222632 Si\n",
"nsites": 6,
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{
"id": "mp-570119",
"created_at": "2022-09-04T14:39:43.480700Z",
"structure_string": "Yb14 Au6\n1.0\n5.171455 -8.957222 0.000000\n5.171455 8.957222 0.000000\n0.000000 0.000000 6.492590\nYb Au\n14 6\ndirect\n0.333333 0.666667 0.719728 Yb\n0.666667 0.333333 0.219728 Yb\n0.126391 0.873609 0.500921 Yb\n0.747217 0.873609 0.500921 Yb\n0.126391 0.252783 0.500921 Yb\n0.873609 0.126391 0.000921 Yb\n0.252783 0.126391 0.000921 Yb\n0.873609 0.747217 0.000921 Yb\n0.540247 0.459753 0.705511 Yb\n0.919505 0.459753 0.705511 Yb\n0.540247 0.080495 0.705511 Yb\n0.459753 0.540247 0.205511 Yb\n0.080495 0.540247 0.205511 Yb\n0.459753 0.919505 0.205511 Yb\n0.811705 0.188295 0.439685 Au\n0.376591 0.188295 0.439685 Au\n0.811705 0.623409 0.439685 Au\n0.188295 0.811705 0.939685 Au\n0.623409 0.811705 0.939685 Au\n0.188295 0.376591 0.939685 Au\n",
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"formula_full": "Yb14 Au6",
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{
"id": "mp-1185761",
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"structure_string": "Mg2 Cd1 Pd1\n1.0\n0.000000 3.320142 3.320142\n3.320142 0.000000 3.320142\n3.320142 3.320142 0.000000\nMg Cd Pd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Pd\n",
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{
"id": "mp-1205930",
"created_at": "2022-09-04T14:39:24.866897Z",
"structure_string": "Li5 Ga4\n1.0\n2.192645 -3.797773 0.000000\n2.192645 3.797773 0.000000\n0.000000 0.000000 8.315474\nLi Ga\n5 4\ndirect\n0.333333 0.666667 0.112966 Li\n0.666667 0.333333 0.887034 Li\n0.333333 0.666667 0.445126 Li\n0.666667 0.333333 0.554874 Li\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.777929 Ga\n0.666667 0.333333 0.222071 Ga\n0.000000 0.000000 0.333878 Ga\n0.000000 0.000000 0.666122 Ga\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 3.760162948192507,
"density_atomic": 0.06498725276753127,
"volume": 138.4886976557432,
"volume_molar": 9.26664923279964,
"formula_full": "Li5 Ga4",
"formula_reduced": "Li5Ga4",
"formula_anonymous": "A4B5",
"energy": -24.61440137,
"energy_per_atom": -2.7349334855555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.61440137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.725000Z",
"spacegroup": 164
}
]
}