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{
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"results": [
{
"id": "mp-1233436",
"created_at": "2022-09-04T14:41:31.889394Z",
"structure_string": "Rb3 Tb1 Mg1 V2 O8\n1.0\n-3.119898 -5.704113 -0.318128\n-2.547342 5.385207 0.332584\n0.049080 -0.455083 -8.963967\nRb Tb Mg V O\n3 1 1 2 8\ndirect\n0.589666 0.342132 0.186467 Rb\n0.314553 0.614520 0.770689 Rb\n0.927603 0.011892 0.999404 Rb\n0.046584 0.981241 0.525062 Tb\n0.905857 0.355841 0.447774 Mg\n0.644048 0.289842 0.727745 V\n0.369896 0.694230 0.278975 V\n0.771690 0.436102 0.901834 O\n0.351681 0.588819 0.089470 O\n0.764396 0.537005 0.578744 O\n0.233308 0.387826 0.403851 O\n0.822135 0.137657 0.643100 O\n0.102903 0.730463 0.339333 O\n0.297962 0.079553 0.709097 O\n0.680634 0.000377 0.323455 O\n",
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"formula_full": "Rb3 Tb1 Mg1 V2 O8",
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{
"id": "mp-1202518",
"created_at": "2022-09-04T14:41:31.900683Z",
"structure_string": "Th4 N12 O56\n1.0\n12.433531 0.000000 0.000000\n0.000000 7.099313 0.000000\n0.000000 6.085137 13.434993\nTh N O\n4 12 56\ndirect\n0.662255 0.006947 0.556865 Th\n0.162255 0.993053 0.943135 Th\n0.337745 0.993053 0.443135 Th\n0.837745 0.006947 0.056865 Th\n0.691443 0.727361 0.009772 N\n0.191443 0.272639 0.490228 N\n0.308557 0.272639 0.990228 N\n0.808557 0.727361 0.509772 N\n0.655865 0.432045 0.398493 N\n0.155865 0.567955 0.101507 N\n0.344135 0.567955 0.601507 N\n0.844135 0.432045 0.898493 N\n0.540144 0.812675 0.745524 N\n0.040144 0.187325 0.754476 N\n0.459856 0.187325 0.254476 N\n0.959856 0.812675 0.245524 N\n0.720840 0.694444 0.099939 O\n0.220840 0.305556 0.400061 O\n0.279160 0.305556 0.900061 O\n0.779160 0.694444 0.599939 O\n0.728624 0.899010 0.941928 O\n0.228624 0.100990 0.558072 O\n0.271376 0.100990 0.058072 O\n0.771376 0.899010 0.441928 O\n0.634732 0.609198 0.990788 O\n0.134732 0.390802 0.509212 O\n0.365268 0.390802 0.009212 O\n0.865268 0.609198 0.490788 O\n0.667418 0.267362 0.381595 O\n0.167418 0.732638 0.118405 O\n0.332582 0.732638 0.618405 O\n0.832582 0.267362 0.881595 O\n0.655369 0.395100 0.493158 O\n0.155369 0.604900 0.006842 O\n0.344631 0.604900 0.506842 O\n0.844631 0.395100 0.993158 O\n0.646633 0.604059 0.332644 O\n0.146633 0.395941 0.167356 O\n0.353367 0.395941 0.667356 O\n0.853367 0.604059 0.832644 O\n0.605708 0.717307 0.707824 O\n0.105708 0.282693 0.792176 O\n0.394292 0.282693 0.292176 O\n0.894292 0.717307 0.207824 O\n0.544481 0.011434 0.701317 O\n0.044481 0.988566 0.798683 O\n0.455519 0.988566 0.298683 O\n0.955519 0.011434 0.201317 O\n0.518544 0.282034 0.184929 O\n0.018544 0.717966 0.315071 O\n0.481456 0.717966 0.815071 O\n0.981456 0.282034 0.684929 O\n0.735249 0.099303 0.207873 O\n0.235249 0.900697 0.292127 O\n0.264751 0.900697 0.792127 O\n0.764751 0.099303 0.707873 O\n0.728082 0.251536 0.717660 O\n0.228082 0.748464 0.782340 O\n0.271918 0.748464 0.282340 O\n0.771918 0.251536 0.217660 O\n0.604545 0.188246 0.992634 O\n0.104545 0.811754 0.507366 O\n0.395455 0.811754 0.007366 O\n0.895455 0.188246 0.492634 O\n0.565199 0.250918 0.908553 O\n0.065199 0.749082 0.591447 O\n0.434801 0.749082 0.091447 O\n0.934801 0.250918 0.408553 O\n0.518636 0.907223 0.491160 O\n0.018636 0.092777 0.008840 O\n0.481364 0.092777 0.508840 O\n0.981364 0.907223 0.991160 O\n",
"nsites": 72,
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"elements": [
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"N",
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],
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"density_atomic": 0.06071335693294959,
"volume": 1185.9004943428695,
"volume_molar": 9.91897181150881,
"formula_full": "Th4 N12 O56",
"formula_reduced": "ThN3O14",
"formula_anonymous": "AB3C14",
"energy": -468.24503129,
"energy_per_atom": -6.5034032123611105,
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"updated_at": "2021-11-28T01:35:23.334000Z",
"spacegroup": 14
},
{
"id": "mp-1225495",
"created_at": "2022-09-04T14:41:36.584159Z",
"structure_string": "Er1 Mn1 Fe1 O4\n1.0\n8.139338 -1.780568 0.000000\n8.139338 1.780568 0.000000\n7.749819 0.000000 3.059338\nEr Mn Fe O\n1 1 1 4\ndirect\n0.001101 0.001101 0.001101 Er\n0.210004 0.210004 0.210004 Mn\n0.787031 0.787031 0.787031 Fe\n0.705665 0.705665 0.705665 O\n0.289325 0.289325 0.289325 O\n0.872036 0.872036 0.872036 O\n0.129638 0.129638 0.129638 O\n",
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],
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"density": 6.405019259315531,
"density_atomic": 0.07893923903004604,
"volume": 88.67579781628808,
"volume_molar": 7.628830520785535,
"formula_full": "Er1 Mn1 Fe1 O4",
"formula_reduced": "ErMnFeO4",
"formula_anonymous": "ABCD4",
"energy": -59.53234651,
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"updated_at": "2021-11-28T01:35:29.696000Z",
"spacegroup": 160
},
{
"id": "mp-759157",
"created_at": "2022-09-04T14:41:36.587828Z",
"structure_string": "V6 O4 F12\n1.0\n5.198761 0.000000 0.000000\n-0.041140 7.199392 0.000000\n-0.119547 -1.500763 7.481210\nV O F\n6 4 12\ndirect\n0.720262 0.339159 0.182485 V\n0.259268 0.676375 0.312158 V\n0.236755 0.171148 0.324068 V\n0.763245 0.828852 0.675932 V\n0.740732 0.323625 0.687842 V\n0.279738 0.660841 0.817515 V\n0.151082 0.941699 0.325646 O\n0.397040 0.422903 0.299930 O\n0.602960 0.577097 0.700070 O\n0.848918 0.058301 0.674354 O\n0.393983 0.677776 0.068378 F\n0.036755 0.193312 0.108288 F\n0.923929 0.572533 0.199857 F\n0.553185 0.091738 0.191574 F\n0.582006 0.786620 0.442246 F\n0.909728 0.310232 0.432892 F\n0.090272 0.689768 0.567108 F\n0.417994 0.213380 0.557754 F\n0.446815 0.908262 0.808426 F\n0.076071 0.427467 0.800143 F\n0.963245 0.806688 0.891712 F\n0.606017 0.322224 0.931622 F\n",
"nsites": 22,
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"elements": [
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"F"
],
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"volume": 280.00611706398126,
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"formula_full": "V6 O4 F12",
"formula_reduced": "V3(OF3)2",
"formula_anonymous": "A2B3C6",
"energy": -161.89473443,
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"updated_at": "2021-11-28T01:35:27.574000Z",
"spacegroup": 2
},
{
"id": "mp-1213407",
"created_at": "2022-09-04T14:41:46.629210Z",
"structure_string": "Eu2 Ni18 Ge8\n1.0\n-4.214751 4.214751 5.646232\n4.214751 -4.214751 5.646232\n4.214751 4.214751 -5.646232\nEu Ni Ge\n2 18 8\ndirect\n0.750000 0.750000 0.000000 Eu\n0.250000 0.250000 0.000000 Eu\n0.299687 0.799687 0.864377 Ni\n0.700313 0.200313 0.135623 Ni\n0.935311 0.435311 0.135623 Ni\n0.799687 0.935311 0.500000 Ni\n0.564689 0.700313 0.500000 Ni\n0.064689 0.564689 0.864377 Ni\n0.200313 0.064689 0.500000 Ni\n0.435311 0.299687 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.794109 0.294109 0.728563 Ni\n0.205891 0.705891 0.271437 Ni\n0.565546 0.065546 0.271437 Ni\n0.294109 0.565546 0.500000 Ni\n0.934454 0.205891 0.500000 Ni\n0.434454 0.934454 0.728563 Ni\n0.705891 0.434454 0.500000 Ni\n0.065546 0.794109 0.500000 Ni\n0.717776 0.555869 0.273646 Ge\n0.282224 0.444131 0.726354 Ge\n0.555869 0.282224 0.838093 Ge\n0.217776 0.944131 0.161907 Ge\n0.444131 0.717776 0.161907 Ge\n0.782224 0.055869 0.838093 Ge\n0.055869 0.217776 0.273646 Ge\n0.944131 0.782224 0.726354 Ge\n",
"nsites": 28,
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"elements": [
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"Ge"
],
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"density": 8.035824973767978,
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"volume": 401.2015065122711,
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"formula_full": "Eu2 Ni18 Ge8",
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"updated_at": "2021-11-28T01:35:24.052000Z",
"spacegroup": 140
},
{
"id": "mp-675872",
"created_at": "2022-09-04T14:41:36.642163Z",
"structure_string": "Li8 U4 Br24\n1.0\n24.111775 0.000000 0.000000\n0.000000 7.113798 0.000000\n0.000000 2.530223 6.694685\nLi U Br\n8 4 24\ndirect\n0.085137 0.000000 0.500000 Li\n0.166252 0.000000 0.000000 Li\n0.583290 0.000000 0.500000 Li\n0.422108 0.500000 0.000000 Li\n0.328861 0.500000 0.500000 Li\n0.670821 0.500000 0.500000 Li\n0.920170 0.500000 0.000000 Li\n0.828310 0.500000 0.500000 Li\n0.251156 0.000000 0.500000 U\n0.500307 0.000000 0.000000 U\n0.750867 0.000000 0.500000 U\n0.998728 0.000000 0.000000 U\n0.250338 0.766451 0.256350 Br\n0.083405 0.771945 0.249095 Br\n0.499399 0.767916 0.757011 Br\n0.167308 0.769497 0.746701 Br\n0.331722 0.733752 0.724763 Br\n0.083405 0.228055 0.750905 Br\n0.749890 0.753723 0.265502 Br\n0.418246 0.733103 0.222505 Br\n0.580909 0.765296 0.258703 Br\n0.167308 0.230503 0.253299 Br\n0.331722 0.266248 0.275237 Br\n0.999770 0.768708 0.756818 Br\n0.999770 0.231292 0.243182 Br\n0.665948 0.745860 0.722196 Br\n0.831973 0.736375 0.729106 Br\n0.418246 0.266897 0.777495 Br\n0.580909 0.234704 0.741297 Br\n0.250338 0.233549 0.743650 Br\n0.918089 0.730847 0.226173 Br\n0.665948 0.254140 0.277804 Br\n0.831973 0.263625 0.270894 Br\n0.499399 0.232084 0.242989 Br\n0.918089 0.269153 0.773827 Br\n0.749890 0.246277 0.734498 Br\n",
"nsites": 36,
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"U",
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],
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"density": 4.230235397078606,
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"volume": 1148.3145261013747,
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"formula_full": "Li8 U4 Br24",
"formula_reduced": "Li2UBr6",
"formula_anonymous": "AB2C6",
"energy": -164.31078176,
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"spacegroup": 3
},
{
"id": "mp-777781",
"created_at": "2022-09-04T14:41:32.068993Z",
"structure_string": "Li8 Fe4 F16\n1.0\n5.676829 0.000000 0.000000\n0.000000 8.409228 0.000000\n0.000000 2.433554 8.675218\nLi Fe F\n8 4 16\ndirect\n0.105879 0.870960 0.961321 Li\n0.394121 0.870960 0.461321 Li\n0.095895 0.623980 0.721035 Li\n0.404105 0.623980 0.221035 Li\n0.595895 0.376020 0.778965 Li\n0.904105 0.376020 0.278965 Li\n0.605879 0.129040 0.538679 Li\n0.894121 0.129040 0.038679 Li\n0.597479 0.740788 0.842271 Fe\n0.902521 0.740788 0.342271 Fe\n0.097479 0.259212 0.657729 Fe\n0.402521 0.259212 0.157729 Fe\n0.526392 0.907304 0.643999 F\n0.402855 0.765671 0.015511 F\n0.942989 0.737236 0.853185 F\n0.973608 0.907304 0.143999 F\n0.097145 0.765671 0.515511 F\n0.409276 0.561125 0.787639 F\n0.557011 0.737236 0.353185 F\n0.090724 0.561125 0.287639 F\n0.909276 0.438875 0.712361 F\n0.442989 0.262764 0.646815 F\n0.590724 0.438875 0.212361 F\n0.902855 0.234329 0.484489 F\n0.026392 0.092696 0.856001 F\n0.057011 0.262764 0.146815 F\n0.597145 0.234329 0.984489 F\n0.473608 0.092696 0.356001 F\n",
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],
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"density": 2.337156210080704,
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"volume": 414.13538268361845,
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"formula_full": "Li8 Fe4 F16",
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"spacegroup": 14
},
{
"id": "mp-1032437",
"created_at": "2022-09-04T14:41:32.139233Z",
"structure_string": "Mg6 Mn1 Si1 O8\n1.0\n8.732106 0.000000 0.000000\n-0.000000 4.349462 0.000000\n0.000000 0.000000 4.349462\nMg Mn Si O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255675 0.000000 0.500000 Mg\n0.744325 0.000000 0.500000 Mg\n0.255675 0.500000 -0.000000 Mg\n0.744325 0.500000 0.000000 Mg\n-0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Si\n0.257564 -0.000000 -0.000000 O\n0.742436 0.000000 0.000000 O\n0.261718 0.500000 0.500000 O\n0.738282 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Mg6 Mn1 Si1 O8",
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},
{
"id": "mp-560675",
"created_at": "2022-09-04T14:41:31.917538Z",
"structure_string": "K6 Cu1 Si2 O8\n1.0\n6.282300 0.000000 0.000000\n2.325444 6.338419 0.000000\n0.311353 0.809295 7.565125\nK Cu Si O\n6 1 2 8\ndirect\n0.653420 0.827452 0.167439 K\n0.799537 0.304295 0.975465 K\n0.274983 0.814208 0.558957 K\n0.725017 0.185792 0.441043 K\n0.200463 0.695705 0.024535 K\n0.346580 0.172548 0.832561 K\n0.000000 0.500000 0.500000 Cu\n0.780565 0.759572 0.731901 Si\n0.219435 0.240428 0.268099 Si\n0.564189 0.725404 0.842170 O\n0.832240 0.967432 0.784970 O\n0.167760 0.032568 0.215030 O\n0.016375 0.541577 0.753409 O\n0.435811 0.274596 0.157830 O\n0.983625 0.458423 0.246591 O\n0.743978 0.769553 0.512034 O\n0.256022 0.230447 0.487966 O\n",
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}