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{
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"results": [
{
"id": "mp-754416",
"created_at": "2022-09-04T14:41:16.130283Z",
"structure_string": "Li16 Mn4 B8 O24\n1.0\n0.000000 0.000010 6.745714\n9.333997 0.000093 0.000000\n0.000080 7.970092 -3.372845\nLi Mn B O\n16 4 8 24\ndirect\n0.336534 0.053756 0.173045 Li\n0.836456 0.053751 0.173010 Li\n0.336479 0.446293 0.673078 Li\n0.836451 0.446278 0.672974 Li\n0.163513 0.553771 0.327052 Li\n0.663472 0.553755 0.326933 Li\n0.663488 0.946279 0.826976 Li\n0.163559 0.946272 0.827006 Li\n0.004409 0.200670 0.008981 Li\n0.504419 0.200719 0.008977 Li\n0.504436 0.299280 0.508967 Li\n0.004413 0.299290 0.508980 Li\n0.495535 0.700717 0.491002 Li\n0.995558 0.700712 0.491008 Li\n0.495531 0.799260 0.991020 Li\n0.995545 0.799312 0.990996 Li\n0.250174 0.999993 0.500018 Mn\n0.750004 0.499986 0.999984 Mn\n0.750205 0.999897 0.500072 Mn\n0.249960 0.499886 0.000113 Mn\n0.634848 0.202677 0.769740 B\n0.134837 0.202674 0.769742 B\n0.134806 0.297321 0.269760 B\n0.634835 0.297338 0.269746 B\n0.365148 0.702663 0.730255 B\n0.865156 0.702675 0.730243 B\n0.365158 0.797350 0.230242 B\n0.865189 0.797339 0.230229 B\n0.562217 0.115308 0.624208 O\n0.062203 0.115316 0.624204 O\n0.062057 0.384650 0.124213 O\n0.562081 0.384689 0.124201 O\n0.437823 0.615292 0.875785 O\n0.937858 0.615331 0.875780 O\n0.437975 0.884688 0.375792 O\n0.937984 0.884678 0.375776 O\n0.126342 0.148786 0.252795 O\n0.626363 0.148818 0.252772 O\n0.626311 0.351196 0.752739 O\n0.126275 0.351195 0.752757 O\n0.373593 0.648824 0.247214 O\n0.873649 0.648814 0.247209 O\n0.373673 0.851179 0.747247 O\n0.873676 0.851207 0.747216 O\n0.712079 0.138340 0.924352 O\n0.212107 0.138338 0.924358 O\n0.212108 0.361667 0.424375 O\n0.712115 0.361694 0.424351 O\n0.287865 0.638336 0.575637 O\n0.787845 0.638352 0.575618 O\n0.287844 0.861703 0.075636 O\n0.787839 0.861684 0.075615 O\n",
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"elements": [
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],
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"volume": 501.8329671863912,
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"formula_full": "Li16 Mn4 B8 O24",
"formula_reduced": "Li4Mn(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy": -370.68159679,
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"updated_at": "2021-11-28T01:35:18.806000Z",
"spacegroup": 58
},
{
"id": "mp-26134",
"created_at": "2022-09-04T14:46:26.003070Z",
"structure_string": "Cr4 P10 O32\n1.0\n6.766776 0.000000 0.000000\n0.000000 5.065293 0.000000\n0.000000 0.014229 18.815272\nCr P O\n4 10 32\ndirect\n0.180262 0.743802 0.406713 Cr\n0.819738 0.743802 0.906713 Cr\n0.819738 0.256198 0.593287 Cr\n0.180262 0.256198 0.093287 Cr\n0.740808 0.000000 0.750000 P\n0.123600 0.762638 0.577876 P\n0.259192 0.000000 0.250000 P\n0.459853 0.251862 0.370884 P\n0.540147 0.748138 0.629116 P\n0.876400 0.237362 0.422124 P\n0.459853 0.748138 0.129116 P\n0.123600 0.237362 0.922124 P\n0.876400 0.762638 0.077876 P\n0.540147 0.251862 0.870884 P\n0.794287 0.337025 0.492541 O\n0.976857 0.580736 0.614116 O\n0.692180 0.787577 0.132759 O\n0.023143 0.419264 0.385884 O\n0.361053 0.052476 0.418528 O\n0.976857 0.419264 0.885884 O\n0.422129 0.459426 0.114349 O\n0.053905 0.051516 0.571919 O\n0.422129 0.540574 0.385651 O\n0.856082 0.845209 0.804107 O\n0.692180 0.212423 0.367241 O\n0.409175 0.198752 0.288636 O\n0.946095 0.948484 0.428081 O\n0.946095 0.051516 0.071919 O\n0.205713 0.662975 0.507459 O\n0.023143 0.580736 0.114116 O\n0.205713 0.337025 0.992541 O\n0.143918 0.845209 0.304107 O\n0.307820 0.787577 0.632759 O\n0.856082 0.154791 0.695893 O\n0.577871 0.540574 0.885651 O\n0.590825 0.801248 0.711364 O\n0.409175 0.801248 0.211364 O\n0.053905 0.948484 0.928081 O\n0.638947 0.052476 0.918528 O\n0.361053 0.947524 0.081472 O\n0.577871 0.459426 0.614349 O\n0.307820 0.212423 0.867241 O\n0.143918 0.154791 0.195893 O\n0.638947 0.947524 0.581472 O\n0.794287 0.662975 0.007459 O\n0.590825 0.198752 0.788636 O\n",
"nsites": 46,
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"elements": [
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"P",
"O"
],
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"density": 2.6513320776389255,
"density_atomic": 0.0713281497096298,
"volume": 644.9066769187435,
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"formula_full": "Cr4 P10 O32",
"formula_reduced": "Cr2P5O16",
"formula_anonymous": "A2B5C16",
"energy": -368.08838654,
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"updated_at": "2021-11-28T01:37:34.337000Z",
"spacegroup": 13
},
{
"id": "mp-1026394",
"created_at": "2022-09-04T14:47:29.082652Z",
"structure_string": "Hf1 Mg14 Ti1\n1.0\n6.369313 0.000000 0.000000\n-3.184656 5.515986 0.000000\n-0.000000 -0.000000 10.101302\nHf Mg Ti\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.168500 0.834250 0.125000 Mg\n0.170544 0.835271 0.625000 Mg\n0.665750 0.331500 0.125000 Mg\n0.664729 0.329456 0.625000 Mg\n0.665750 0.834250 0.125000 Mg\n0.664729 0.835271 0.625000 Mg\n0.330449 0.169551 0.373726 Mg\n0.330449 0.169551 0.876274 Mg\n0.330449 0.660899 0.373726 Mg\n0.330449 0.660899 0.876274 Mg\n0.839101 0.169551 0.373726 Mg\n0.839101 0.169551 0.876274 Mg\n0.833333 0.666667 0.375785 Mg\n0.833333 0.666667 0.874215 Mg\n0.166667 0.333333 0.125000 Ti\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Ti"
],
"chemical_system": "Hf-Mg-Ti",
"density": 2.6512657427345445,
"density_atomic": 0.0450844608546532,
"volume": 354.88946072976336,
"volume_molar": 13.357464292219547,
"formula_full": "Hf1 Mg14 Ti1",
"formula_reduced": "HfMg14Ti",
"formula_anonymous": "ABC14",
"energy": -38.54782982,
"energy_per_atom": -2.40923936375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:15.713000Z",
"spacegroup": 187
},
{
"id": "mp-726184",
"created_at": "2022-09-04T14:39:12.675586Z",
"structure_string": "Pb2 S2\n1.0\n2.999598 3.003024 0.000000\n-2.999598 3.003024 0.000000\n0.000000 1.292022 16.636661\nPb S\n2 2\ndirect\n0.767460 0.767460 0.913355 Pb\n0.232540 0.232540 0.086645 Pb\n0.266099 0.266099 0.925054 S\n0.733901 0.733901 0.074946 S\n",
"nsites": 4,
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"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 2.651186294135805,
"density_atomic": 0.013345718805329677,
"volume": 299.7215855022047,
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"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy": -18.6003991,
"energy_per_atom": -4.650099775,
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"updated_at": "2021-11-28T01:34:36.834000Z",
"spacegroup": 12
},
{
"id": "mp-849771",
"created_at": "2022-09-04T14:40:15.492141Z",
"structure_string": "Li14 V2 Ge2 O16\n1.0\n6.403019 0.000000 0.000000\n0.000000 5.410431 0.000000\n0.000000 0.174093 10.853803\nLi V Ge O\n14 2 2 16\ndirect\n0.500000 0.675183 0.923014 Li\n0.751741 0.312762 0.824430 Li\n0.248259 0.312762 0.824430 Li\n0.269533 0.832949 0.661981 Li\n0.730467 0.832949 0.661981 Li\n0.000000 0.201103 0.584114 Li\n0.500000 0.828223 0.431938 Li\n0.747595 0.191564 0.348858 Li\n0.252405 0.191564 0.348858 Li\n0.295826 0.584898 0.180259 Li\n0.704174 0.584898 0.180259 Li\n0.809644 0.931968 0.166111 Li\n0.190356 0.931968 0.166111 Li\n0.000000 0.343562 0.065418 Li\n0.000000 0.827658 0.915689 V\n0.000000 0.675257 0.408417 V\n0.500000 0.320875 0.586675 Ge\n0.500000 0.162765 0.074645 Ge\n0.500000 0.303616 0.930357 O\n0.000000 0.149977 0.914435 O\n0.781538 0.714760 0.843432 O\n0.218462 0.714760 0.843432 O\n0.271773 0.201978 0.660699 O\n0.728227 0.201978 0.660699 O\n0.500000 0.650999 0.586492 O\n0.000000 0.793916 0.552727 O\n0.500000 0.199516 0.434236 O\n0.000000 0.352670 0.409329 O\n0.778205 0.783572 0.325589 O\n0.221795 0.783572 0.325589 O\n0.268874 0.254020 0.158283 O\n0.731126 0.254020 0.158283 O\n0.500000 0.828403 0.093401 O\n0.000000 0.722136 0.076230 O\n",
"nsites": 34,
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"elements": [
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"V",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-V",
"density": 2.651176705581744,
"density_atomic": 0.09042329509024044,
"volume": 376.00930121014454,
"volume_molar": 6.659943938108027,
"formula_full": "Li14 V2 Ge2 O16",
"formula_reduced": "Li7VGeO8",
"formula_anonymous": "ABC7D8",
"energy": -213.11104362,
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"spacegroup": 6
},
{
"id": "mp-1026732",
"created_at": "2022-09-04T14:42:29.141959Z",
"structure_string": "Ce1 Mg14 Sb1\n1.0\n6.521162 0.083435 0.000000\n-3.188324 5.522339 0.000000\n0.000000 0.000000 10.396073\nCe Mg Sb\n1 14 1\ndirect\n0.166074 0.333036 0.125000 Ce\n0.164358 0.332178 0.625000 Mg\n0.163269 0.831634 0.625000 Mg\n0.663827 0.326470 0.125000 Mg\n0.666534 0.334827 0.625000 Mg\n0.663827 0.837356 0.125000 Mg\n0.666534 0.831705 0.625000 Mg\n0.337784 0.168288 0.383836 Mg\n0.337784 0.168288 0.866164 Mg\n0.337784 0.669497 0.383836 Mg\n0.337784 0.669497 0.866164 Mg\n0.830591 0.165296 0.381598 Mg\n0.830591 0.165296 0.868402 Mg\n0.830749 0.665375 0.371861 Mg\n0.830749 0.665375 0.878139 Mg\n0.171765 0.835882 0.125000 Sb\n",
"nsites": 16,
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"elements": [
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"Mg",
"Sb"
],
"chemical_system": "Ce-Mg-Sb",
"density": 2.6511678720521905,
"density_atomic": 0.04242348163908519,
"volume": 377.1496204889284,
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"formula_full": "Ce1 Mg14 Sb1",
"formula_reduced": "CeMg14Sb",
"formula_anonymous": "ABC14",
"energy": -33.41094533,
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{
"id": "mp-1211817",
"created_at": "2022-09-04T14:42:16.734016Z",
"structure_string": "K3 Mg9 Si12 O36\n1.0\n2.653857 -4.596615 0.000000\n2.653857 4.596615 0.000000\n0.000000 0.000000 32.066023\nK Mg Si O\n3 9 12 36\ndirect\n0.892509 0.946254 0.500000 K\n0.053746 0.946254 0.833333 K\n0.053746 0.107491 0.166667 K\n0.560551 0.780276 0.000000 Mg\n0.219724 0.780276 0.333333 Mg\n0.219724 0.439449 0.666667 Mg\n0.218468 0.109234 0.000000 Mg\n0.890766 0.109234 0.333333 Mg\n0.890766 0.781532 0.666667 Mg\n0.889338 0.444669 0.000000 Mg\n0.555331 0.444669 0.333333 Mg\n0.555331 0.110662 0.666667 Mg\n0.230579 0.769573 0.086364 Si\n0.230427 0.461006 0.419698 Si\n0.230579 0.461006 0.913636 Si\n0.538994 0.769421 0.753031 Si\n0.230427 0.769421 0.580302 Si\n0.538994 0.769573 0.246969 Si\n0.561812 0.125001 0.913640 Si\n0.874999 0.436811 0.246974 Si\n0.561812 0.436811 0.086360 Si\n0.563189 0.438188 0.580307 Si\n0.874999 0.438188 0.753026 Si\n0.563189 0.125001 0.419693 Si\n0.716948 0.103942 0.772782 O\n0.896058 0.613005 0.106115 O\n0.716948 0.613005 0.227218 O\n0.386995 0.283052 0.439448 O\n0.896058 0.283052 0.893885 O\n0.386995 0.103942 0.560552 O\n0.889643 0.786152 0.969814 O\n0.213848 0.103491 0.303148 O\n0.889643 0.103491 0.030186 O\n0.896509 0.110357 0.636481 O\n0.213848 0.110357 0.696852 O\n0.896509 0.786152 0.363519 O\n0.230891 0.770701 0.036305 O\n0.229299 0.460190 0.369639 O\n0.230891 0.460190 0.963695 O\n0.539810 0.769109 0.702972 O\n0.229299 0.769109 0.630361 O\n0.539810 0.770701 0.297028 O\n0.385631 0.792892 0.893038 O\n0.207108 0.592740 0.226371 O\n0.385631 0.592740 0.106962 O\n0.407260 0.614369 0.559705 O\n0.207108 0.614369 0.773629 O\n0.407260 0.792892 0.440295 O\n0.551387 0.120852 0.963606 O\n0.879148 0.430535 0.296939 O\n0.551387 0.430535 0.036394 O\n0.569465 0.448613 0.630273 O\n0.879148 0.448613 0.703061 O\n0.569465 0.120852 0.369727 O\n0.699434 0.102882 0.226647 O\n0.897118 0.596551 0.559980 O\n0.699434 0.596551 0.773353 O\n0.403449 0.300566 0.893314 O\n0.897118 0.300566 0.440020 O\n0.403449 0.102882 0.106686 O\n",
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],
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"volume": 782.3313665364443,
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"formula_full": "K3 Mg9 Si12 O36",
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{
"id": "mp-1188146",
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"structure_string": "Ca8 As8\n1.0\n5.314079 0.000000 0.000000\n0.000000 7.981866 0.000000\n0.000000 0.000000 13.585366\nCa As\n8 8\ndirect\n0.883856 0.693576 0.076688 Ca\n0.616144 0.806424 0.576688 Ca\n0.383856 0.806424 0.923312 Ca\n0.116144 0.693576 0.423312 Ca\n0.116144 0.306424 0.923312 Ca\n0.383856 0.193576 0.423312 Ca\n0.616144 0.193576 0.076688 Ca\n0.883856 0.306424 0.576688 Ca\n0.888009 0.035533 0.418686 As\n0.611991 0.464467 0.918686 As\n0.388009 0.464467 0.581314 As\n0.111991 0.035533 0.081314 As\n0.111991 0.964467 0.581314 As\n0.388009 0.535533 0.081314 As\n0.611991 0.535533 0.418686 As\n0.888009 0.964467 0.918686 As\n",
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{
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{
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{
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"structure_string": "La4 H16 C16 N4 O32\n1.0\n15.956456 0.000000 0.000000\n0.000000 5.885154 0.000000\n0.000000 0.324658 8.884422\nLa H C N O\n4 16 16 4 32\ndirect\n0.599621 0.924308 0.821364 La\n0.900379 0.924308 0.321364 La\n0.400379 0.075692 0.178636 La\n0.099621 0.075692 0.678636 La\n0.091028 0.682939 0.173744 H\n0.888866 0.550510 0.924078 H\n0.363222 0.453442 0.761196 H\n0.111134 0.449490 0.075922 H\n0.691115 0.379313 0.365302 H\n0.591028 0.317061 0.326256 H\n0.908972 0.317061 0.826256 H\n0.808885 0.379313 0.865302 H\n0.408972 0.682939 0.673744 H\n0.136778 0.453442 0.261196 H\n0.636778 0.546558 0.238804 H\n0.388866 0.449490 0.575922 H\n0.863222 0.546558 0.738804 H\n0.308885 0.620687 0.634698 H\n0.611134 0.550510 0.424078 H\n0.191115 0.620687 0.134698 H\n0.474916 0.095203 0.538662 C\n0.727068 0.836871 0.122136 C\n0.772932 0.836871 0.622136 C\n0.974916 0.904797 0.961338 C\n0.272932 0.163129 0.877864 C\n0.971704 0.419280 0.455471 C\n0.471704 0.580720 0.044529 C\n0.237325 0.940639 0.952772 C\n0.737325 0.059361 0.547228 C\n0.028296 0.580720 0.544529 C\n0.525084 0.904797 0.461338 C\n0.227068 0.163129 0.377864 C\n0.262675 0.940639 0.452772 C\n0.025084 0.095203 0.038662 C\n0.762675 0.059361 0.047228 C\n0.528296 0.419280 0.955471 C\n0.367268 0.552178 0.661871 N\n0.867268 0.447822 0.838129 N\n0.632732 0.447822 0.338129 N\n0.132732 0.552178 0.161871 N\n0.659422 0.757576 0.069729 O\n0.432671 0.500420 0.157251 O\n0.974284 0.910948 0.818617 O\n0.340578 0.242424 0.930271 O\n0.724191 0.144247 0.933453 O\n0.840578 0.757576 0.569729 O\n0.828449 0.138981 0.104921 O\n0.969701 0.212526 0.504291 O\n0.561559 0.759042 0.547210 O\n0.267915 0.250880 0.268702 O\n0.275809 0.855753 0.066547 O\n0.932671 0.499580 0.342749 O\n0.938441 0.759042 0.047210 O\n0.474284 0.089052 0.681383 O\n0.159422 0.242424 0.430271 O\n0.030299 0.787474 0.495709 O\n0.067329 0.500420 0.657251 O\n0.525716 0.910948 0.318617 O\n0.775809 0.144247 0.433453 O\n0.328449 0.861019 0.395079 O\n0.732085 0.749120 0.731298 O\n0.025716 0.089052 0.181383 O\n0.061559 0.240958 0.952790 O\n0.469701 0.787474 0.995709 O\n0.438441 0.240958 0.452790 O\n0.224191 0.855753 0.566547 O\n0.671551 0.138981 0.604921 O\n0.567329 0.499580 0.842749 O\n0.530299 0.212526 0.004291 O\n0.232085 0.250880 0.768702 O\n0.767915 0.749120 0.231298 O\n0.171551 0.861019 0.895079 O\n",
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]
}