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{
"id": "mp-961725",
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{
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{
"id": "mp-1106199",
"created_at": "2022-09-04T14:48:23.925502Z",
"structure_string": "Cr1 Ga7 P8\n1.0\n5.485939 0.000000 0.000000\n0.000000 5.485939 0.000000\n0.000000 0.000000 10.989392\nCr Ga P\n1 7 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.750274 Ga\n0.000000 0.500000 0.249726 Ga\n0.500000 0.000000 0.249726 Ga\n0.000000 0.500000 0.750274 Ga\n0.752900 0.247100 0.876144 P\n0.247100 0.752900 0.876144 P\n0.752900 0.752900 0.123856 P\n0.247100 0.247100 0.123856 P\n0.750098 0.249902 0.375158 P\n0.249902 0.750098 0.375158 P\n0.750098 0.750098 0.624842 P\n0.249902 0.249902 0.624842 P\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cr-Ga-P",
"density": 3.955628318860496,
"density_atomic": 0.048377605524718474,
"volume": 330.73154048157306,
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"formula_full": "Cr1 Ga7 P8",
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"formula_anonymous": "AB7C8",
"energy": -79.14414491,
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"updated_at": "2021-11-28T01:39:28.873000Z",
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},
{
"id": "mp-1070544",
"created_at": "2022-09-04T14:47:43.433618Z",
"structure_string": "Cr1 Ga4\n1.0\n-2.836510 2.836510 2.836510\n2.836510 -2.836510 2.836510\n2.836510 2.836510 -2.836510\nCr Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n",
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"formula_full": "Cr1 Ga4",
"formula_reduced": "CrGa4",
"formula_anonymous": "AB4",
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"updated_at": "2021-11-28T01:38:19.514000Z",
"spacegroup": 229
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{
"id": "mp-985440",
"created_at": "2022-09-04T14:46:57.972538Z",
"structure_string": "Cr1 Ga3 P4\n1.0\n5.491184 0.000000 0.000000\n0.000000 5.491184 0.000000\n0.000000 0.000000 5.491184\nCr Ga P\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.246277 0.246277 0.246277 P\n0.753723 0.753723 0.246277 P\n0.246277 0.753723 0.753723 P\n0.753723 0.246277 0.753723 P\n",
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"elements": [
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],
"chemical_system": "Cr-Ga-P",
"density": 3.8617102213590386,
"density_atomic": 0.04831611405372769,
"volume": 165.57622972542808,
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"formula_full": "Cr1 Ga3 P4",
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"formula_anonymous": "AB3C4",
"energy": -42.22752998,
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{
"id": "mp-1226319",
"created_at": "2022-09-04T14:46:12.493288Z",
"structure_string": "Cr1 Ga3 Ni2 S8\n1.0\n-1.809621 -3.136234 0.000576\n3.638314 -0.008815 -11.886448\n5.483667 -3.167873 0.005753\nCr Ga Ni S\n1 3 2 8\ndirect\n0.107418 0.213909 0.563529 Cr\n0.606436 0.212796 0.058214 Ga\n0.892267 0.784895 0.441880 Ga\n0.392003 0.784449 0.941063 Ga\n0.749663 0.499188 0.251735 Ni\n0.249391 0.499529 0.749264 Ni\n0.935765 0.872437 0.729468 S\n0.435959 0.872046 0.229951 S\n0.066304 0.132225 0.267923 S\n0.567612 0.134127 0.765308 S\n0.701613 0.404774 0.965001 S\n0.199646 0.399801 0.465930 S\n0.298889 0.595947 0.034688 S\n0.797033 0.593877 0.536045 S\n",
"nsites": 14,
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"elements": [
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"S"
],
"chemical_system": "Cr-Ga-Ni-S",
"density": 3.868193166382102,
"density_atomic": 0.0513528078317158,
"volume": 272.6238465066659,
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"formula_full": "Cr1 Ga3 Ni2 S8",
"formula_reduced": "CrGa3(NiS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -73.93791283,
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"spacegroup": 8
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{
"id": "mp-1226260",
"created_at": "2022-09-04T14:42:48.210221Z",
"structure_string": "Cr1 Ga3 Fe2 Se8\n1.0\n3.838213 0.000000 0.000000\n0.000000 6.720111 0.000000\n0.000000 2.245324 13.100796\nCr Ga Fe Se\n1 3 2 8\ndirect\n0.000000 0.761697 0.706561 Cr\n0.000000 0.995566 0.001742 Ga\n0.500000 0.502739 0.001832 Ga\n0.500000 0.265960 0.703439 Ga\n0.500000 0.735222 0.291265 Fe\n0.000000 0.236820 0.290305 Fe\n0.500000 0.625261 0.627249 Se\n0.000000 0.124696 0.625121 Se\n0.500000 0.380583 0.363195 Se\n0.000000 0.879868 0.362542 Se\n0.500000 0.205196 0.891521 Se\n0.000000 0.703031 0.892311 Se\n0.500000 0.796733 0.110236 Se\n0.000000 0.294628 0.108682 Se\n",
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"elements": [
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{
"id": "mp-1226347",
"created_at": "2022-09-04T14:39:29.192909Z",
"structure_string": "Cr1 Ga3 Co2 Se8\n1.0\n3.776431 0.000000 0.000000\n0.000000 6.593493 -0.013368\n1.888215 1.072373 12.908712\nCr Ga Co Se\n1 3 2 8\ndirect\n0.353088 0.114904 0.293823 Cr\n0.003127 0.003945 0.993746 Ga\n0.503300 0.498219 0.993400 Ga\n0.851523 0.618469 0.296955 Ga\n0.647271 0.879621 0.705458 Co\n0.147258 0.384151 0.705485 Co\n0.310095 0.436669 0.379810 Se\n0.810666 0.938421 0.378668 Se\n0.176794 0.062362 0.646412 Se\n0.676817 0.558228 0.646365 Se\n0.446772 0.149564 0.106456 Se\n0.946288 0.648839 0.107424 Se\n0.058112 0.352269 0.883776 Se\n0.556890 0.850340 0.886220 Se\n",
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"elements": [
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],
"chemical_system": "Co-Cr-Ga-Se",
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"formula_full": "Cr1 Ga3 Co2 Se8",
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{
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"created_at": "2022-09-04T14:41:56.792475Z",
"structure_string": "Cr1 Ga2 S4\n1.0\n1.850064 -3.204405 0.000000\n1.850064 3.204405 0.000000\n0.000000 0.000000 12.089478\nCr Ga S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.707337 Ga\n0.666667 0.333333 0.292663 Ga\n0.333333 0.666667 0.896344 S\n0.666667 0.333333 0.103656 S\n0.333333 0.666667 0.375324 S\n0.666667 0.333333 0.624676 S\n",
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{
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"structure_string": "Cr1 Ga1 Te1\n1.0\n0.000000 3.358118 3.358118\n3.358118 0.000000 3.358118\n3.358118 3.358118 0.000000\nCr Ga Te\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "mp-1093813",
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"structure_string": "Cr1 Ga1 Tc2\n1.0\n-4.612810 5.178686 7.298910\n4.612810 -5.178686 7.298910\n4.612810 5.178686 -7.298910\nCr Ga Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ga\n0.000000 0.231431 0.231431 Tc\n0.000000 0.768569 0.768569 Tc\n",
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{
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"structure_string": "Cr1 Ga1 Ru2\n1.0\n-4.573020 4.698147 7.100386\n4.573020 -4.698147 7.100386\n4.573020 4.698147 -7.100386\nCr Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ga\n0.000000 0.218779 0.218779 Ru\n0.000000 0.781221 0.781221 Ru\n",
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]
}