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{
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"results": [
{
"id": "mp-1209708",
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"structure_string": "Pr16 Mg4 Ni4\n1.0\n0.000000 7.098718 7.098718\n7.098718 0.000000 7.098718\n7.098718 7.098718 0.000000\nPr Mg Ni\n16 4 4\ndirect\n0.810567 0.189433 0.189433 Pr\n0.189433 0.810567 0.810567 Pr\n0.189433 0.810567 0.189433 Pr\n0.810567 0.189433 0.810567 Pr\n0.189433 0.189433 0.810567 Pr\n0.810567 0.810567 0.189433 Pr\n0.935574 0.564426 0.564426 Pr\n0.564426 0.935574 0.935574 Pr\n0.564426 0.935574 0.564426 Pr\n0.935574 0.564426 0.935574 Pr\n0.564426 0.564426 0.935574 Pr\n0.935574 0.935574 0.564426 Pr\n0.345520 0.345520 0.345520 Pr\n0.345520 0.345520 0.963439 Pr\n0.345520 0.963439 0.345520 Pr\n0.963439 0.345520 0.345520 Pr\n0.578934 0.578934 0.578934 Mg\n0.578934 0.578934 0.263198 Mg\n0.578934 0.263198 0.578934 Mg\n0.263198 0.578934 0.578934 Mg\n0.141764 0.141764 0.141764 Ni\n0.141764 0.141764 0.574708 Ni\n0.141764 0.574708 0.141764 Ni\n0.574708 0.141764 0.141764 Ni\n",
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{
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"structure_string": "Pr3 Mg1 Ni14\n1.0\n12.148223 -2.492763 0.000000\n12.148223 2.492763 0.000000\n11.636719 0.000000 4.287185\nPr Mg Ni\n3 1 14\ndirect\n0.051679 0.051679 0.051679 Pr\n0.943783 0.943783 0.943783 Pr\n0.150395 0.150395 0.150395 Pr\n0.853168 0.853168 0.853168 Mg\n0.611513 0.108952 0.611513 Ni\n0.108952 0.611513 0.611513 Ni\n0.611513 0.611513 0.108952 Ni\n0.389213 0.889109 0.389213 Ni\n0.889109 0.389213 0.389213 Ni\n0.389213 0.389213 0.889109 Ni\n0.388895 0.388894 0.388895 Ni\n0.612013 0.612013 0.612013 Ni\n0.277967 0.277967 0.277967 Ni\n0.722077 0.722077 0.722077 Ni\n0.500835 0.500835 0.500835 Ni\n0.000573 0.499551 0.499551 Ni\n0.499551 0.499551 0.000573 Ni\n0.499551 0.000573 0.499551 Ni\n",
"nsites": 18,
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"formula_full": "Pr3 Mg1 Ni14",
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"updated_at": "2021-11-28T01:37:31.283000Z",
"spacegroup": 160
},
{
"id": "mp-568529",
"created_at": "2022-09-04T14:45:07.566323Z",
"structure_string": "Pr1 Mg2 Ni9\n1.0\n7.994539 -2.448204 0.000000\n7.994539 2.448204 0.000000\n7.244814 0.000000 4.173611\nPr Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Pr\n0.855394 0.855394 0.855394 Mg\n0.144606 0.144606 0.144606 Mg\n0.082597 0.586474 0.586474 Ni\n0.917403 0.413526 0.413526 Ni\n0.666321 0.666321 0.666321 Ni\n0.586474 0.586474 0.082597 Ni\n0.413526 0.917403 0.413526 Ni\n0.333679 0.333679 0.333679 Ni\n0.500000 0.500000 0.500000 Ni\n0.413526 0.413526 0.917403 Ni\n0.586474 0.082597 0.586474 Ni\n",
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"formula_full": "Pr1 Mg2 Ni9",
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"formula_anonymous": "AB2C9",
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"updated_at": "2021-11-28T01:36:50.891000Z",
"spacegroup": 166
},
{
"id": "mp-1219964",
"created_at": "2022-09-04T14:41:26.153449Z",
"structure_string": "Pr2 Mg1 Ni9\n1.0\n-2.496230 -4.323597 0.000000\n4.992459 0.000000 0.000000\n0.000000 -2.882398 8.053822\nPr Mg Ni\n2 1 9\ndirect\n0.991032 0.995516 0.013452 Pr\n0.286221 0.143111 0.570668 Pr\n0.722278 0.861139 0.416583 Mg\n0.664111 0.582910 0.752979 Ni\n0.165819 0.582910 0.752979 Ni\n0.664111 0.081201 0.752979 Ni\n0.333733 0.417620 0.248646 Ni\n0.835241 0.417620 0.248646 Ni\n0.333733 0.916113 0.248646 Ni\n0.002001 0.501001 0.496998 Ni\n0.666686 0.333343 0.999971 Ni\n0.335033 0.667516 0.997451 Ni\n",
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"formula_full": "Pr2 Mg1 Ni9",
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"updated_at": "2021-11-28T01:35:18.528000Z",
"spacegroup": 160
},
{
"id": "mp-1093934",
"created_at": "2022-09-04T14:39:36.210915Z",
"structure_string": "Mg2 Ni1 Pt1\n1.0\n-4.813878 5.242499 7.507312\n4.813878 -5.242499 7.507312\n4.813878 5.242499 -7.507312\nMg Ni Pt\n2 1 1\ndirect\n0.000000 0.251016 0.251016 Mg\n0.000000 0.748984 0.748984 Mg\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pt\n",
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"formula_full": "Mg2 Ni1 Pt1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:38.477000Z",
"spacegroup": 71
},
{
"id": "mp-1021731",
"created_at": "2022-09-04T14:42:37.941601Z",
"structure_string": "Rb2 Mg12 Ni2\n1.0\n5.222539 0.000000 0.000000\n0.000000 6.467491 0.000000\n0.000000 0.000000 11.425695\nRb Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.165249 Rb\n0.500000 0.000000 0.665249 Rb\n0.500000 0.253474 0.416979 Mg\n0.500000 0.746526 0.416979 Mg\n0.000000 0.776150 0.084527 Mg\n0.000000 0.223850 0.084527 Mg\n0.000000 0.000000 0.325749 Mg\n0.000000 0.500000 0.344063 Mg\n0.500000 0.753474 0.916979 Mg\n0.500000 0.246526 0.916979 Mg\n0.000000 0.276150 0.584527 Mg\n0.000000 0.723850 0.584527 Mg\n0.000000 0.500000 0.825749 Mg\n0.000000 0.000000 0.844063 Mg\n0.500000 0.000000 0.161923 Ni\n0.500000 0.500000 0.661923 Ni\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.495535548252437,
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"volume": 385.92254629065565,
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"formula_full": "Rb2 Mg12 Ni2",
"formula_reduced": "RbMg6Ni",
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"updated_at": "2021-11-28T01:36:03.364000Z",
"spacegroup": 38
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{
"id": "mp-1099319",
"created_at": "2022-09-04T14:43:17.265741Z",
"structure_string": "Rb1 Mg6 Ni1\n1.0\n3.171350 -7.500304 0.000000\n3.171350 7.500304 0.000000\n0.000000 0.000000 4.489152\nRb Mg Ni\n1 6 1\ndirect\n0.788538 0.211462 0.000000 Rb\n0.216286 0.298725 0.500000 Mg\n0.701275 0.783714 0.500000 Mg\n0.178955 0.821045 0.500000 Mg\n0.348453 0.174464 0.000000 Mg\n0.825536 0.651547 0.000000 Mg\n0.342993 0.657007 0.000000 Mg\n0.597964 0.402036 0.500000 Ni\n",
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"formula_full": "Rb1 Mg6 Ni1",
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{
"id": "mp-1028374",
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"structure_string": "Rb1 Mg14 Ni1\n1.0\n6.541361 0.128858 0.000000\n-3.159086 5.471698 0.000000\n0.000000 0.000000 10.539978\nRb Mg Ni\n1 14 1\ndirect\n0.097751 0.798875 0.125000 Rb\n0.161472 0.330736 0.625000 Mg\n0.177956 0.838978 0.625000 Mg\n0.596101 0.303736 0.125000 Mg\n0.669527 0.327790 0.625000 Mg\n0.596101 0.792365 0.125000 Mg\n0.669527 0.841736 0.625000 Mg\n0.349494 0.181393 0.382803 Mg\n0.349494 0.181393 0.867197 Mg\n0.349494 0.668102 0.382803 Mg\n0.349494 0.668102 0.867197 Mg\n0.874555 0.187278 0.331293 Mg\n0.874555 0.187278 0.918707 Mg\n0.832347 0.666174 0.401917 Mg\n0.832347 0.666174 0.848083 Mg\n0.219785 0.359892 0.125000 Ni\n",
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{
"id": "mp-1028344",
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"structure_string": "Rb1 Mg14 Ni1\n1.0\n6.427193 0.000000 0.000000\n-3.213597 5.566112 -0.000000\n-0.000000 0.000000 10.613149\nRb Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.154020 0.827009 0.125000 Mg\n0.173714 0.836856 0.625000 Mg\n0.672991 0.345980 0.125000 Mg\n0.663144 0.326286 0.625000 Mg\n0.672991 0.827009 0.125000 Mg\n0.663144 0.836856 0.625000 Mg\n0.330046 0.169954 0.342738 Mg\n0.330046 0.169954 0.907262 Mg\n0.330046 0.660093 0.342738 Mg\n0.330046 0.660093 0.907262 Mg\n0.839907 0.169954 0.342738 Mg\n0.839907 0.169954 0.907262 Mg\n0.833333 0.666667 0.384262 Mg\n0.833333 0.666667 0.865738 Mg\n0.166667 0.333333 0.125000 Ni\n",
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{
"id": "mp-1185770",
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"structure_string": "Mg2 Ni1 Rh1\n1.0\n0.000000 3.096897 3.096897\n3.096897 0.000000 3.096897\n3.096897 3.096897 0.000000\nMg Ni Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Rh\n",
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"spacegroup": 225
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{
"id": "mp-1394733",
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"structure_string": "Mg1 Ni4 S8\n1.0\n5.925251 -3.426476 0.000000\n5.925251 3.426476 0.000000\n3.943776 0.000000 5.594280\nMg Ni S\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.738855 0.291344 0.738855 S\n0.738855 0.738855 0.291344 S\n0.291344 0.738855 0.738855 S\n0.736133 0.736133 0.736133 S\n0.263867 0.263867 0.263867 S\n0.261145 0.261145 0.708656 S\n0.708656 0.261145 0.261145 S\n0.261145 0.708656 0.261145 S\n",
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{
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"structure_string": "Mg2 Ni4 S8\n1.0\n0.000000 4.930639 4.930639\n4.930639 0.000000 4.930639\n4.930639 4.930639 0.000000\nMg Ni S\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.128265 0.128265 0.128265 Ni\n0.634795 0.121735 0.121735 Ni\n0.128265 0.615205 0.128265 Ni\n0.121735 0.121735 0.634795 Ni\n0.360968 0.360968 0.360968 S\n0.332903 0.889032 0.889032 S\n0.889032 0.889032 0.332903 S\n0.889032 0.332903 0.889032 S\n0.360968 0.360968 0.917097 S\n0.360968 0.917097 0.360968 S\n0.889032 0.889032 0.889032 S\n0.917097 0.360968 0.360968 S\n",
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"elements": [
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"formula_full": "Mg2 Ni4 S8",
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"formula_anonymous": "AB2C4",
"energy": -69.99089659,
"energy_per_atom": -4.999349756428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.96689659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3918101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.858000Z",
"spacegroup": 109
}
]
}