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{
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"results": [
{
"id": "mp-1239251",
"created_at": "2022-09-04T14:45:11.082959Z",
"structure_string": "Ta2 Cr6 Cu4 S16\n1.0\n5.845875 0.000000 0.000000\n0.000000 7.688087 0.000000\n0.000000 0.000000 12.070716\nTa Cr Cu S\n2 6 4 16\ndirect\n0.775005 0.000000 0.270158 Ta\n0.224995 0.500000 0.770158 Ta\n0.734078 0.500000 0.733124 Cr\n0.265922 0.000000 0.233124 Cr\n0.873124 0.000000 0.041429 Cr\n0.568720 0.500000 0.936750 Cr\n0.126876 0.500000 0.541429 Cr\n0.431280 0.000000 0.436750 Cr\n0.893188 0.000000 0.697301 Cu\n0.599182 0.500000 0.397180 Cu\n0.106812 0.500000 0.197301 Cu\n0.400818 0.000000 0.897180 Cu\n0.008763 0.207201 0.155636 S\n0.496940 0.275157 0.825066 S\n0.991237 0.292799 0.655636 S\n0.503060 0.224843 0.325066 S\n0.503060 0.775157 0.325066 S\n0.991237 0.707201 0.655636 S\n0.496940 0.724843 0.825066 S\n0.008763 0.792799 0.155636 S\n0.558708 0.000000 0.597342 S\n0.981795 0.500000 0.376836 S\n0.441292 0.500000 0.097342 S\n0.018205 0.000000 0.876836 S\n0.944923 0.500000 0.908185 S\n0.509547 0.000000 0.080292 S\n0.055077 0.000000 0.408185 S\n0.490453 0.500000 0.580292 S\n",
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"formula_full": "Ta2 Cr6 Cu4 S16",
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"spacegroup": 31
},
{
"id": "mp-1028195",
"created_at": "2022-09-04T14:45:12.431151Z",
"structure_string": "Mg14 Mn1 Ni1\n1.0\n6.250705 0.003960 0.000000\n-3.121923 5.407329 0.000000\n0.000000 0.000000 9.827287\nMg Mn Ni\n14 1 1\ndirect\n0.171163 0.335581 0.625000 Mg\n0.170076 0.835038 0.625000 Mg\n0.675750 0.334416 0.125000 Mg\n0.665373 0.333357 0.625000 Mg\n0.675750 0.841333 0.125000 Mg\n0.665373 0.832015 0.625000 Mg\n0.322436 0.157327 0.354627 Mg\n0.322436 0.157327 0.895373 Mg\n0.322436 0.665110 0.354627 Mg\n0.322436 0.665110 0.895373 Mg\n0.839058 0.169529 0.372766 Mg\n0.839058 0.169529 0.877234 Mg\n0.844041 0.672021 0.364865 Mg\n0.844041 0.672021 0.885135 Mg\n0.156995 0.328497 0.125000 Mn\n0.163577 0.831788 0.125000 Ni\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.2683308742520842,
"density_atomic": 0.048152154509120235,
"volume": 332.28004360572334,
"volume_molar": 12.506482464578774,
"formula_full": "Mg14 Mn1 Ni1",
"formula_reduced": "Mg14MnNi",
"formula_anonymous": "ABC14",
"energy": -36.29182695,
"energy_per_atom": -2.268239184375,
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"updated_at": "2021-11-28T01:36:55.696000Z",
"spacegroup": 38
},
{
"id": "mp-1100427",
"created_at": "2022-09-04T14:45:12.433317Z",
"structure_string": "K1 Na1 Sb1\n1.0\n4.686865 0.000000 2.705963\n1.562288 4.418818 2.705963\n0.000000 0.000000 5.411924\nK Na Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "K-Na-Sb",
"density": 2.7237542628661644,
"density_atomic": 0.026765847968711207,
"volume": 112.0831293485245,
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"formula_full": "K1 Na1 Sb1",
"formula_reduced": "KNaSb",
"formula_anonymous": "ABC",
"energy": -7.14531388,
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"updated_at": "2021-11-28T01:36:56.053000Z",
"spacegroup": 216
},
{
"id": "mp-774495",
"created_at": "2022-09-04T14:45:11.028170Z",
"structure_string": "Li6 V12 O26\n1.0\n6.309978 0.000000 0.000000\n-2.538347 7.592296 0.000000\n-1.802951 -0.603161 10.200017\nLi V O\n6 12 26\ndirect\n0.989363 0.747425 0.968906 Li\n0.862997 0.215586 0.590191 Li\n0.862343 0.715730 0.587354 Li\n0.137003 0.784414 0.409809 Li\n0.137657 0.284270 0.412646 Li\n0.010637 0.252575 0.031094 Li\n0.682875 0.921670 0.000938 V\n0.683415 0.420785 0.002517 V\n0.804277 0.450901 0.365030 V\n0.804279 0.951204 0.364452 V\n0.560949 0.390246 0.637524 V\n0.560965 0.890226 0.637210 V\n0.439051 0.609754 0.362476 V\n0.439035 0.109774 0.362790 V\n0.195723 0.549099 0.634970 V\n0.195721 0.048796 0.635548 V\n0.316585 0.579215 0.997483 V\n0.317125 0.078330 0.999062 V\n0.760761 0.439437 0.198049 O\n0.758710 0.940950 0.198016 O\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.861837 0.465730 0.583751 O\n0.862078 0.965269 0.583914 O\n0.778554 0.694592 0.391303 O\n0.779414 0.194944 0.392104 O\n0.650090 0.161784 0.001739 O\n0.645931 0.662621 0.997709 O\n0.632935 0.409648 0.802747 O\n0.632853 0.907467 0.801281 O\n0.482501 0.370798 0.403192 O\n0.482176 0.870396 0.403074 O\n0.517499 0.629202 0.596808 O\n0.517824 0.129604 0.596926 O\n0.367147 0.092533 0.198719 O\n0.367065 0.590352 0.197253 O\n0.354069 0.337379 0.002291 O\n0.349910 0.838216 0.998261 O\n0.221446 0.305408 0.608697 O\n0.220586 0.805056 0.607896 O\n0.137922 0.034731 0.416086 O\n0.138163 0.534270 0.416249 O\n0.241290 0.059050 0.801984 O\n0.239239 0.560563 0.801951 O\n",
"nsites": 44,
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"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.6324181842102456,
"density_atomic": 0.09004317585074151,
"volume": 488.65446586353005,
"volume_molar": 6.688059037347257,
"formula_full": "Li6 V12 O26",
"formula_reduced": "Li3V6O13",
"formula_anonymous": "A3B6C13",
"energy": -355.35225127,
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"updated_at": "2021-11-28T01:36:46.861000Z",
"spacegroup": 2
},
{
"id": "mp-1221566",
"created_at": "2022-09-04T14:45:12.436695Z",
"structure_string": "Mn1 Ni2 Sb1\n1.0\n0.000000 3.017823 3.017823\n3.017823 0.000000 3.017823\n3.017823 3.017823 0.000000\nMn Ni Sb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Ni\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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],
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"density": 8.88403895262988,
"density_atomic": 0.07276938477880274,
"volume": 54.96817119120643,
"volume_molar": 8.27565160583055,
"formula_full": "Mn1 Ni2 Sb1",
"formula_reduced": "MnNi2Sb",
"formula_anonymous": "ABC2",
"energy": -25.05741822,
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"updated_at": "2021-11-28T01:36:57.538000Z",
"spacegroup": 216
},
{
"id": "mp-771346",
"created_at": "2022-09-04T14:45:12.449361Z",
"structure_string": "Li6 Cr2 P2 C2 O14\n1.0\n6.472256 0.000000 0.000000\n0.000000 5.115807 0.000000\n0.000000 0.290097 8.549590\nLi Cr P C O\n6 2 2 2 14\ndirect\n0.514550 0.030867 0.002505 Li\n0.190574 0.440484 0.186598 Li\n0.411814 0.445536 0.522012 Li\n0.911814 0.554464 0.477988 Li\n0.690574 0.559516 0.813402 Li\n0.014550 0.969133 0.997495 Li\n0.753377 0.025302 0.274410 Cr\n0.253377 0.974698 0.725590 Cr\n0.250108 0.958281 0.336655 P\n0.750108 0.041719 0.663345 P\n0.738671 0.524480 0.120105 C\n0.238671 0.475520 0.879895 C\n0.710729 0.352114 0.015122 O\n0.757778 0.770489 0.075039 O\n0.066589 0.076235 0.236752 O\n0.443589 0.009969 0.233251 O\n0.751007 0.459100 0.267707 O\n0.213014 0.662371 0.372847 O\n0.272799 0.111042 0.487986 O\n0.772799 0.888958 0.512014 O\n0.713014 0.337629 0.627153 O\n0.251007 0.540900 0.732293 O\n0.943589 0.990031 0.766749 O\n0.566589 0.923765 0.763248 O\n0.257778 0.229511 0.924961 O\n0.210729 0.647886 0.984878 O\n",
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],
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"volume": 283.0838718744159,
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"formula_full": "Li6 Cr2 P2 C2 O14",
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"energy": -191.41620289,
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"updated_at": "2021-11-28T01:36:55.988000Z",
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{
"id": "mp-22656",
"created_at": "2022-09-04T14:45:10.844193Z",
"structure_string": "Gd2 In2 Pt4\n1.0\n2.306926 -3.995714 0.000000\n2.306926 3.995714 0.000000\n0.000000 0.000000 9.108587\nGd In Pt\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Gd\n0.333333 0.666667 0.250000 Gd\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.666667 0.333333 0.090276 Pt\n0.333333 0.666667 0.909724 Pt\n0.333333 0.666667 0.590276 Pt\n0.666667 0.333333 0.409724 Pt\n",
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{
"id": "mp-766107",
"created_at": "2022-09-04T14:45:12.453544Z",
"structure_string": "Na2 V12 O26\n1.0\n-0.000003 3.752031 -0.002932\n-11.382255 1.875891 0.057681\n-4.393036 -0.008853 11.295315\nNa V O\n2 12 26\ndirect\n0.172338 0.652978 0.717911 Na\n0.824148 0.348268 0.280065 Na\n0.046819 0.897286 0.959137 V\n0.563415 0.873972 0.772807 V\n0.573188 0.857416 0.484036 V\n0.073555 0.857536 0.284183 V\n0.772597 0.451996 0.920848 V\n0.753326 0.488008 0.604570 V\n0.222931 0.512870 0.387860 V\n0.227193 0.549647 0.073182 V\n0.930307 0.141672 0.715383 V\n0.429589 0.142209 0.515930 V\n0.438665 0.126230 0.227863 V\n0.950870 0.102481 0.041785 V\n0.555294 0.887789 0.934038 O\n0.040047 0.920619 0.782370 O\n0.544835 0.913687 0.601329 O\n0.065562 0.873746 0.444021 O\n0.640791 0.717909 0.809607 O\n0.553588 0.897664 0.305706 O\n0.043128 0.916571 0.108330 O\n0.652756 0.698732 0.554332 O\n0.251703 0.494792 0.932237 O\n0.151237 0.696482 0.325250 O\n0.748856 0.496978 0.765187 O\n0.145930 0.707783 0.025656 O\n0.246148 0.504684 0.570958 O\n0.753072 0.496831 0.429244 O\n0.851900 0.295735 0.972907 O\n0.253970 0.502666 0.244676 O\n0.848790 0.301760 0.674501 O\n0.751275 0.498570 0.064605 O\n0.347773 0.300879 0.445871 O\n0.959865 0.081266 0.892155 O\n0.450602 0.100904 0.693745 O\n0.359111 0.282074 0.192196 O\n0.938171 0.125272 0.555144 O\n0.459528 0.084731 0.399212 O\n0.962657 0.078478 0.218839 O\n0.444756 0.113800 0.066524 O\n",
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"formula_full": "Na2 V12 O26",
"formula_reduced": "NaV6O13",
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{
"id": "mp-1305509",
"created_at": "2022-09-04T14:45:12.919726Z",
"structure_string": "Na8 Fe4 O12\n1.0\n2.558771 4.678847 -0.070495\n-4.558234 4.744548 5.319871\n3.523802 -0.164751 5.406748\nNa Fe O\n8 4 12\ndirect\n0.499865 0.500045 0.000141 Na\n0.999873 0.000046 0.500121 Na\n0.000065 0.000041 0.999685 Na\n0.500049 0.500055 0.499721 Na\n0.991026 0.325139 0.167561 Na\n0.491039 0.825125 0.667684 Na\n0.009393 0.674278 0.832471 Na\n0.509431 0.174275 0.332330 Na\n0.498898 0.835370 0.162588 Fe\n0.501307 0.164926 0.837380 Fe\n0.998805 0.335393 0.662441 Fe\n0.001311 0.664930 0.337519 Fe\n0.275043 0.753311 0.039406 O\n0.774816 0.253370 0.539188 O\n0.724495 0.246686 0.961262 O\n0.224655 0.746638 0.461459 O\n0.242948 0.372737 0.824766 O\n0.743058 0.872781 0.324882 O\n0.806378 0.553815 0.652587 O\n0.306359 0.053793 0.152622 O\n0.757031 0.627506 0.175055 O\n0.256895 0.127404 0.674891 O\n0.193653 0.446127 0.347134 O\n0.693603 0.946208 0.847105 O\n",
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"formula_full": "Na8 Fe4 O12",
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{
"id": "mp-1519540",
"created_at": "2022-09-04T14:45:12.934282Z",
"structure_string": "Sr2 Mn2 Bi2 Sb2 O12\n1.0\n5.649666 0.000000 0.001254\n0.000000 5.949875 0.000000\n0.009993 0.000000 8.206320\nSr Mn Bi Sb O\n2 2 2 2 12\ndirect\n0.013216 0.791098 0.745039 Sr\n0.513216 0.208902 0.245039 Sr\n0.005088 0.240274 0.993319 Mn\n0.505088 0.759726 0.493319 Mn\n0.497914 0.312202 0.720483 Bi\n0.997914 0.687798 0.220483 Bi\n0.499441 0.757730 0.000457 Sb\n0.999441 0.242270 0.500457 Sb\n0.794905 0.943067 0.045628 O\n0.696181 0.428867 0.483670 O\n0.196181 0.571133 0.983670 O\n0.294905 0.056933 0.545628 O\n0.704847 0.489574 0.058351 O\n0.818220 0.960640 0.450692 O\n0.318220 0.039360 0.950692 O\n0.204847 0.510426 0.558351 O\n0.569237 0.705156 0.762735 O\n0.900951 0.211632 0.739626 O\n0.400951 0.788368 0.239626 O\n0.069237 0.294844 0.262735 O\n",
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{
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}