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{
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"results": [
{
"id": "mp-1233348",
"created_at": "2022-09-04T14:45:58.358480Z",
"structure_string": "Mg1 Co4 P8 O28\n1.0\n6.632257 -0.013749 -2.270177\n-0.038174 8.202913 -0.063114\n0.035787 -0.073445 9.521419\nMg Co P O\n1 4 8 28\ndirect\n0.084081 0.065052 0.580636 Mg\n0.733191 0.776775 0.015742 Co\n0.709557 0.727382 0.509467 Co\n0.293062 0.311691 0.475206 Co\n0.282668 0.229928 0.997495 Co\n0.525696 0.069192 0.804705 P\n0.468962 0.922894 0.222916 P\n0.538957 0.423917 0.283249 P\n0.923709 0.966615 0.799770 P\n0.078081 0.459177 0.704082 P\n0.073534 0.045689 0.213081 P\n0.482512 0.573738 0.715043 P\n0.931618 0.552279 0.300729 P\n0.519809 0.591779 0.350075 O\n0.885095 0.618600 0.144602 O\n0.870961 0.960620 0.160864 O\n0.914165 0.685167 0.411384 O\n0.114928 0.399501 0.861287 O\n0.118924 0.067103 0.835102 O\n0.092613 0.316450 0.597882 O\n0.245585 0.594239 0.699573 O\n0.114617 0.115761 0.374545 O\n0.137761 0.471021 0.347010 O\n0.102721 0.179328 0.110329 O\n0.482334 0.212633 0.896211 O\n0.381955 0.065753 0.645685 O\n0.529237 0.905565 0.880935 O\n0.240008 0.905371 0.224127 O\n0.489081 0.406021 0.639445 O\n0.607866 0.582472 0.875788 O\n0.894415 0.911310 0.636297 O\n0.493426 0.284794 0.374844 O\n0.410350 0.415196 0.120436 O\n0.773915 0.405629 0.295450 O\n0.749569 0.098194 0.795965 O\n0.482962 0.086428 0.149783 O\n0.605471 0.915589 0.383239 O\n0.505765 0.785816 0.122502 O\n0.917226 0.828664 0.900668 O\n0.877440 0.546154 0.651667 O\n0.529134 0.712181 0.620752 O\n",
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"elements": [
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],
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"formula_full": "Mg1 Co4 P8 O28",
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},
{
"id": "mp-1065811",
"created_at": "2022-09-04T14:45:58.360629Z",
"structure_string": "Sn1 O1\n1.0\n3.275201 0.000000 0.000000\n0.000000 3.275201 0.000000\n0.000000 0.000000 3.049904\nSn O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 O\n",
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"density": 6.83730437709922,
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"volume": 32.71614206433038,
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"formula_full": "Sn1 O1",
"formula_reduced": "SnO",
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"energy": -11.32805811,
"energy_per_atom": -5.664029055,
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"total_magnetization": 8.85e-05,
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"updated_at": "2021-11-28T01:37:16.890000Z",
"spacegroup": 123
},
{
"id": "mp-1200083",
"created_at": "2022-09-04T14:45:58.370437Z",
"structure_string": "Rb8 Mo10 H8 Se4 O46\n1.0\n0.000000 -10.474204 0.000000\n-9.669565 5.237102 2.941069\n0.003514 0.000000 -12.410828\nRb Mo H Se O\n8 10 8 4 46\ndirect\n0.167104 0.373750 0.906844 Rb\n0.793355 0.626250 0.093156 Rb\n0.765277 0.655996 0.728731 Rb\n0.109281 0.344004 0.271269 Rb\n0.347124 0.641702 0.593209 Rb\n0.705422 0.358298 0.406791 Rb\n0.753012 0.023935 0.746611 Rb\n0.729078 0.976065 0.253389 Rb\n0.399509 0.000000 0.500000 Mo\n0.351617 0.288786 0.599230 Mo\n0.062831 0.711214 0.400770 Mo\n0.994015 0.194101 0.536278 Mo\n0.799914 0.805899 0.463722 Mo\n0.514894 0.804943 0.945230 Mo\n0.709952 0.195057 0.054770 Mo\n0.106558 0.000000 0.000000 Mo\n0.439979 0.283748 0.118499 Mo\n0.156231 0.716252 0.881501 Mo\n0.866684 0.393932 0.657480 H\n0.472752 0.606068 0.342520 H\n0.728485 0.382825 0.711539 H\n0.345659 0.617175 0.288461 H\n0.130854 0.583586 0.168197 H\n0.547269 0.416414 0.831803 H\n0.282337 0.646871 0.127163 H\n0.635465 0.353129 0.872837 H\n0.114485 0.984997 0.668238 Se\n0.129489 0.015003 0.331762 Se\n0.365288 0.961469 0.161178 Se\n0.403819 0.038531 0.838822 Se\n0.535568 0.067132 0.417734 O\n0.468436 0.932868 0.582266 O\n0.422163 0.161669 0.618613 O\n0.260494 0.838331 0.381387 O\n0.494240 0.402635 0.544384 O\n0.091605 0.597365 0.455616 O\n0.199874 0.325305 0.546287 O\n0.874569 0.674695 0.453713 O\n0.413070 0.396182 0.060495 O\n0.016888 0.603818 0.939505 O\n0.655976 0.000000 0.000000 O\n0.117505 0.629964 0.737809 O\n0.487541 0.370036 0.262191 O\n0.562465 0.768820 0.808635 O\n0.793644 0.231180 0.191365 O\n0.217772 0.884253 0.055057 O\n0.333519 0.115747 0.944943 O\n0.486597 0.111537 0.126807 O\n0.375060 0.888463 0.873193 O\n0.174969 0.890273 0.567679 O\n0.284696 0.109727 0.432321 O\n0.135455 0.120785 0.614396 O\n0.014669 0.879215 0.385604 O\n0.931232 0.887991 0.643115 O\n0.043241 0.112009 0.356885 O\n0.445104 0.859209 0.123571 O\n0.585895 0.140791 0.876429 O\n0.384020 0.378925 0.743318 O\n0.005095 0.621075 0.256682 O\n0.916439 0.257586 0.457218 O\n0.658853 0.742414 0.542782 O\n0.591464 0.731892 0.013825 O\n0.859571 0.268108 0.986175 O\n0.846853 0.000000 0.500000 O\n0.637916 0.328648 0.078714 O\n0.309268 0.671352 0.921286 O\n0.961932 0.254523 0.673429 O\n0.707409 0.745477 0.326571 O\n0.044844 0.082511 0.928571 O\n0.962333 0.917489 0.071429 O\n0.236761 0.152782 0.129465 O\n0.083979 0.847218 0.870535 O\n0.213230 0.565686 0.148260 O\n0.647544 0.434314 0.851740 O\n0.776928 0.397524 0.644574 O\n0.379404 0.602476 0.355426 O\n",
"nsites": 76,
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"elements": [
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"Mo",
"H",
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],
"chemical_system": "H-Mo-O-Rb-Se",
"density": 3.571139103232824,
"density_atomic": 0.06046753613599839,
"volume": 1256.8727759812691,
"volume_molar": 9.959295755751512,
"formula_full": "Rb8 Mo10 H8 Se4 O46",
"formula_reduced": "Rb4Mo5H4Se2O23",
"formula_anonymous": "A2B4C4D5E23",
"energy": -525.13029868,
"energy_per_atom": -6.909609193157895,
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"updated_at": "2021-11-28T01:37:12.268000Z",
"spacegroup": 5
},
{
"id": "mp-2282",
"created_at": "2022-09-04T14:45:58.375371Z",
"structure_string": "Ni4 S8\n1.0\n5.606245 0.000000 0.000000\n0.000000 5.606245 0.000000\n0.000000 0.000000 5.606245\nNi S\n4 8\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.893632 0.393632 0.106368 S\n0.393632 0.106368 0.893632 S\n0.393632 0.393632 0.393632 S\n0.893632 0.106368 0.606368 S\n0.106368 0.606368 0.893632 S\n0.606368 0.893632 0.106368 S\n0.606368 0.606368 0.606368 S\n0.106368 0.893632 0.393632 S\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ni-S",
"density": 4.629925309475207,
"density_atomic": 0.068102809232398,
"volume": 176.2041850439752,
"volume_molar": 8.842720040299213,
"formula_full": "Ni4 S8",
"formula_reduced": "NiS2",
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"energy": -63.13611049000001,
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},
{
"id": "mp-1075616",
"created_at": "2022-09-04T14:45:58.376950Z",
"structure_string": "Mg10 Si18\n1.0\n5.749396 0.000000 0.000000\n2.237742 6.883866 0.000000\n2.569150 0.340221 12.404949\nMg Si\n10 18\ndirect\n0.082530 0.939925 0.708485 Mg\n0.143988 0.995129 0.453931 Mg\n0.982191 0.638024 0.556598 Mg\n0.919366 0.437227 0.376953 Mg\n0.470837 0.626307 0.570950 Mg\n0.485315 0.250285 0.434492 Mg\n0.134532 0.097264 0.068185 Mg\n0.476313 0.134951 0.834641 Mg\n0.622283 0.607446 0.013630 Mg\n0.940152 0.258637 0.871560 Mg\n0.661304 0.362956 0.213732 Si\n0.207438 0.473564 0.973840 Si\n0.677864 0.841740 0.404311 Si\n0.214685 0.280166 0.651548 Si\n0.320649 0.195996 0.236695 Si\n0.695358 0.756379 0.779267 Si\n0.260622 0.744240 0.203290 Si\n0.602753 0.462416 0.756673 Si\n0.641367 0.868171 0.172068 Si\n0.582752 0.981299 0.608780 Si\n0.228654 0.834190 0.909011 Si\n0.570812 0.243916 0.050048 Si\n0.925853 0.042490 0.278986 Si\n0.154302 0.554437 0.773683 Si\n0.784500 0.927252 0.973753 Si\n0.003052 0.546656 0.161916 Si\n0.825812 0.272128 0.593504 Si\n0.384586 0.626775 0.369221 Si\n",
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"formula_full": "Mg10 Si18",
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{
"id": "mp-570226",
"created_at": "2022-09-04T14:45:58.380624Z",
"structure_string": "Sm6 Cu2 Ge2 Se14\n1.0\n5.266972 -9.122662 0.000000\n5.266972 9.122662 0.000000\n0.000000 0.000000 6.123757\nSm Cu Ge Se\n6 2 2 14\ndirect\n0.224301 0.869042 0.753621 Sm\n0.869042 0.644741 0.253621 Sm\n0.355259 0.224301 0.253621 Sm\n0.644741 0.775699 0.753621 Sm\n0.775699 0.130958 0.253621 Sm\n0.130958 0.355259 0.753621 Sm\n0.000000 0.000000 0.717226 Cu\n0.000000 0.000000 0.217226 Cu\n0.666667 0.333333 0.835436 Ge\n0.333333 0.666667 0.335436 Ge\n0.741352 0.837782 0.231162 Se\n0.903570 0.741352 0.731162 Se\n0.666667 0.333333 0.450494 Se\n0.903634 0.421143 0.998598 Se\n0.578857 0.482491 0.998598 Se\n0.421143 0.517509 0.498598 Se\n0.096430 0.258648 0.231162 Se\n0.837782 0.096430 0.731162 Se\n0.517509 0.096366 0.998598 Se\n0.162218 0.903570 0.231162 Se\n0.482491 0.903634 0.498598 Se\n0.333333 0.666667 0.950494 Se\n0.258648 0.162218 0.731162 Se\n0.096366 0.578857 0.498598 Se\n",
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],
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"formula_full": "Sm6 Cu2 Ge2 Se14",
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{
"id": "mp-1028252",
"created_at": "2022-09-04T14:45:58.391100Z",
"structure_string": "Ce1 Mg14 Al1\n1.0\n6.433058 -0.000000 0.000000\n-3.216529 5.571191 -0.000000\n-0.000000 -0.000000 10.320681\nCe Mg Al\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.161475 0.830737 0.125000 Mg\n0.180920 0.840460 0.625000 Mg\n0.669263 0.338525 0.125000 Mg\n0.659540 0.319080 0.625000 Mg\n0.669263 0.830737 0.125000 Mg\n0.659540 0.840460 0.625000 Mg\n0.332875 0.167125 0.365477 Mg\n0.332875 0.167125 0.884523 Mg\n0.332875 0.665752 0.365477 Mg\n0.332875 0.665752 0.884523 Mg\n0.834248 0.167125 0.365477 Mg\n0.834248 0.167125 0.884523 Mg\n0.833333 0.666667 0.386509 Mg\n0.833333 0.666667 0.863491 Mg\n0.166667 0.333333 0.125000 Al\n",
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],
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"density": 2.277707256899562,
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"formula_full": "Ce1 Mg14 Al1",
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{
"id": "mp-1233354",
"created_at": "2022-09-04T14:45:58.395393Z",
"structure_string": "Mg1 Ag20 Bi4 O16\n1.0\n6.060343 0.162900 -0.174163\n0.229224 9.321913 -0.475607\n-0.034392 -0.660974 12.949445\nMg Ag Bi O\n1 20 4 16\ndirect\n0.144008 0.001566 0.830258 Mg\n0.215323 0.695572 0.146353 Ag\n0.794478 0.812495 0.627518 Ag\n0.021049 0.443929 0.031733 Ag\n0.518343 0.024095 0.480855 Ag\n0.058985 0.173838 0.630553 Ag\n0.364325 0.631953 0.841836 Ag\n0.974177 0.872471 0.345442 Ag\n0.537378 0.339501 0.163846 Ag\n0.533470 0.990974 0.239239 Ag\n0.968838 0.477536 0.268198 Ag\n0.539910 0.064853 0.735279 Ag\n0.005507 0.479052 0.739514 Ag\n0.551973 0.067051 0.947532 Ag\n0.009374 0.536105 0.497917 Ag\n0.277350 0.284012 0.862819 Ag\n0.292407 0.815060 0.629961 Ag\n0.711090 0.695522 0.154727 Ag\n0.758280 0.240448 0.363607 Ag\n0.765235 0.290447 0.861573 Ag\n0.255727 0.242403 0.362945 Ag\n0.537099 0.403553 0.608398 Bi\n0.840537 0.774401 0.923907 Bi\n0.480159 0.643185 0.390763 Bi\n0.022305 0.094709 0.117535 Bi\n0.111668 0.317986 0.154231 O\n0.405268 0.873192 0.359679 O\n0.919432 0.551014 0.900699 O\n0.642004 0.174937 0.597447 O\n0.029635 0.959940 0.686698 O\n0.503458 0.427477 0.787772 O\n0.004806 0.144076 0.936790 O\n0.548636 0.670662 0.570874 O\n0.940360 0.817368 0.085482 O\n0.505155 0.387870 0.426900 O\n0.662525 0.116192 0.117388 O\n0.840014 0.657681 0.379497 O\n0.165625 0.817899 0.888080 O\n0.173909 0.389384 0.598679 O\n0.009823 0.094190 0.295061 O\n0.474936 0.569688 0.214498 O\n",
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],
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"formula_full": "Mg1 Ag20 Bi4 O16",
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{
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{
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{
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{
"id": "mp-772511",
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"structure_string": "Li8 Co6 Sn10 O32\n1.0\n3.045700 5.343965 0.023216\n-9.159160 5.355600 0.034927\n-0.008460 0.048173 9.871638\nLi Co Sn O\n8 6 10 32\ndirect\n0.507116 0.167024 0.892151 Li\n0.009863 0.666943 0.891327 Li\n0.972161 0.011917 0.985364 Li\n0.470170 0.511498 0.986599 Li\n0.983946 0.002829 0.498129 Li\n0.483248 0.501591 0.498783 Li\n0.502804 0.834294 0.404528 Li\n0.998492 0.330135 0.405151 Li\n0.242743 0.584621 0.215146 Co\n0.254851 0.409993 0.717847 Co\n0.500388 0.668455 0.710351 Co\n0.745900 0.086325 0.215586 Co\n0.747079 0.910361 0.714160 Co\n0.000088 0.167846 0.710455 Co\n0.497453 0.331546 0.215803 Sn\n0.003293 0.830774 0.212724 Sn\n0.504029 0.163498 0.495565 Sn\n0.008451 0.660574 0.495965 Sn\n0.256056 0.084699 0.214642 Sn\n0.752054 0.584258 0.214606 Sn\n0.258464 0.915481 0.714064 Sn\n0.757811 0.414271 0.714286 Sn\n0.508924 0.832504 0.983854 Sn\n0.011615 0.332646 0.985942 Sn\n0.499655 0.334980 0.598024 O\n0.003865 0.834650 0.595362 O\n0.269596 0.243090 0.344564 O\n0.777223 0.740756 0.344048 O\n0.495673 0.171125 0.099974 O\n0.013633 0.661141 0.106231 O\n0.002737 0.997939 0.313043 O\n0.482757 0.506121 0.311139 O\n0.997588 0.009270 0.801102 O\n0.500516 0.497410 0.806649 O\n0.231687 0.085099 0.596231 O\n0.745402 0.573651 0.585659 O\n0.719376 0.247459 0.346522 O\n0.229486 0.730382 0.334779 O\n0.495288 0.016961 0.345216 O\n0.014621 0.516647 0.332582 O\n0.244112 0.920282 0.093373 O\n0.740159 0.420354 0.094716 O\n0.748177 0.075024 0.603034 O\n0.245325 0.569320 0.602885 O\n0.502263 0.985164 0.843868 O\n0.000078 0.483356 0.845270 O\n0.277985 0.761165 0.847995 O\n0.790724 0.252124 0.841800 O\n0.505542 0.837263 0.603454 O\n0.004073 0.321642 0.610288 O\n0.758227 0.914489 0.096482 O\n0.254363 0.427882 0.102176 O\n0.738815 0.767703 0.838609 O\n0.236732 0.266767 0.838868 O\n0.492194 0.661364 0.101438 O\n0.005427 0.165636 0.097265 O\n",
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}
]
}