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{
"id": "mp-1028133",
"created_at": "2022-09-04T14:48:30.752434Z",
"structure_string": "Mg14 Mn1 Zn1\n1.0\n6.259045 0.000000 -0.000000\n-3.129522 5.420491 0.000000\n0.000000 0.000000 10.141684\nMg Mn Zn\n14 1 1\ndirect\n0.167538 0.833769 0.125000 Mg\n0.165134 0.832566 0.625000 Mg\n0.666231 0.332462 0.125000 Mg\n0.667434 0.334866 0.625000 Mg\n0.666231 0.833769 0.125000 Mg\n0.667434 0.832566 0.625000 Mg\n0.329905 0.170095 0.374695 Mg\n0.329905 0.170095 0.875305 Mg\n0.329905 0.659810 0.374695 Mg\n0.329905 0.659810 0.875305 Mg\n0.840190 0.170095 0.374695 Mg\n0.840190 0.170095 0.875305 Mg\n0.833333 0.666667 0.375104 Mg\n0.833333 0.666667 0.874896 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Zn\n",
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{
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"formula_full": "Np2 Cl6",
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"energy": -54.85961096,
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},
{
"id": "mp-647350",
"created_at": "2022-09-04T14:48:31.663989Z",
"structure_string": "Rb10 Hf2 Fe2 Mo12 O48\n1.0\n5.116739 -8.862452 0.000000\n5.116739 8.862452 0.000000\n0.000000 0.000000 15.293673\nRb Hf Fe Mo O\n10 2 2 12 48\ndirect\n0.070585 0.315280 0.257483 Rb\n0.000000 0.000000 0.510067 Rb\n0.666667 0.333333 0.572763 Rb\n0.000000 0.000000 0.010067 Rb\n0.755304 0.070585 0.757483 Rb\n0.315280 0.244696 0.757483 Rb\n0.333333 0.666667 0.072763 Rb\n0.684720 0.755304 0.257483 Rb\n0.929415 0.684720 0.757483 Rb\n0.244696 0.929415 0.257483 Rb\n0.666667 0.333333 0.973196 Hf\n0.333333 0.666667 0.473196 Hf\n0.666667 0.333333 0.309873 Fe\n0.333333 0.666667 0.809873 Fe\n0.630501 0.657210 0.920770 Mo\n0.410359 0.313413 0.155887 Mo\n0.342790 0.973291 0.920770 Mo\n0.096946 0.410359 0.655887 Mo\n0.589641 0.686587 0.655887 Mo\n0.026709 0.369499 0.920770 Mo\n0.686587 0.096946 0.155887 Mo\n0.369499 0.342790 0.420770 Mo\n0.657210 0.026709 0.420770 Mo\n0.903054 0.589641 0.155887 Mo\n0.973291 0.630501 0.420770 Mo\n0.313413 0.903054 0.655887 Mo\n0.562304 0.406446 0.385089 O\n0.509025 0.763307 0.733677 O\n0.952901 0.779245 0.140843 O\n0.437696 0.593554 0.885089 O\n0.236693 0.745718 0.733677 O\n0.254282 0.490975 0.733677 O\n0.826192 0.314451 0.900154 O\n0.179995 0.944454 0.864431 O\n0.355298 0.844127 0.550896 O\n0.294487 0.940461 0.032199 O\n0.490975 0.236693 0.233677 O\n0.220755 0.173656 0.140843 O\n0.820005 0.055546 0.364431 O\n0.408828 0.475334 0.195337 O\n0.155858 0.562304 0.885089 O\n0.406446 0.844142 0.885089 O\n0.055546 0.235541 0.864431 O\n0.524666 0.933494 0.195337 O\n0.764459 0.820005 0.864431 O\n0.826344 0.047099 0.140843 O\n0.488259 0.173808 0.900154 O\n0.047099 0.220755 0.640843 O\n0.644702 0.155873 0.050896 O\n0.066506 0.591172 0.195337 O\n0.488830 0.644702 0.550896 O\n0.235541 0.179995 0.364431 O\n0.591172 0.524666 0.695337 O\n0.511170 0.355298 0.050896 O\n0.593554 0.155858 0.385089 O\n0.685549 0.511741 0.900154 O\n0.059539 0.354026 0.032199 O\n0.779245 0.826344 0.640843 O\n0.475334 0.066506 0.695337 O\n0.354026 0.294487 0.532199 O\n0.314451 0.488259 0.400154 O\n0.940461 0.645974 0.532199 O\n0.745718 0.509025 0.233677 O\n0.763307 0.254282 0.233677 O\n0.645974 0.705513 0.032199 O\n0.844127 0.488830 0.050896 O\n0.511741 0.826192 0.400154 O\n0.155873 0.511170 0.550896 O\n0.705513 0.059539 0.532199 O\n0.933494 0.408828 0.695337 O\n0.844142 0.437696 0.385089 O\n0.173808 0.685549 0.400154 O\n0.173656 0.952901 0.640843 O\n0.944454 0.764459 0.364431 O\n",
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"formula_full": "Rb10 Hf2 Fe2 Mo12 O48",
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"spacegroup": 173
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{
"id": "mp-1540553",
"created_at": "2022-09-04T14:48:30.804938Z",
"structure_string": "Rb2 Ti1 Te3 O12\n1.0\n5.112932 -0.031384 -5.112945\n-5.144317 5.144317 0.000000\n5.112958 5.112958 0.031394\nRb Ti Te O\n2 1 3 12\ndirect\n0.261753 0.128192 0.630879 Rb\n0.738247 0.866439 0.369121 Rb\n0.000000 0.497336 0.000000 Ti\n0.499998 0.497332 0.999997 Te\n0.500002 0.997334 0.000003 Te\n0.000000 0.497334 0.500000 Te\n0.651841 0.823255 0.929367 O\n0.868811 0.431748 0.319320 O\n0.253733 0.431753 0.934391 O\n0.255271 0.823256 0.325919 O\n0.253731 0.816648 0.934409 O\n0.255276 0.426690 0.325916 O\n0.348159 0.171413 0.070633 O\n0.131189 0.562937 0.680680 O\n0.746269 0.562916 0.065591 O\n0.744724 0.171414 0.674084 O\n0.746267 0.178020 0.065609 O\n0.744729 0.567985 0.674081 O\n",
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},
{
"id": "mp-865969",
"created_at": "2022-09-04T14:48:30.214787Z",
"structure_string": "Lu1 Re1 Tc2\n1.0\n0.000000 3.197655 3.197655\n3.197655 0.000000 3.197655\n3.197655 3.197655 0.000000\nLu Re Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Re\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
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{
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"created_at": "2022-09-04T14:48:29.902516Z",
"structure_string": "Rb8 Sn4 O8\n1.0\n5.887143 0.000000 0.000000\n0.000000 7.641961 0.000000\n0.000000 0.000000 11.437671\nRb Sn O\n8 4 8\ndirect\n0.001079 0.646988 0.741555 Rb\n0.498921 0.353012 0.241555 Rb\n0.002883 0.608603 0.417686 Rb\n0.497117 0.391397 0.917686 Rb\n0.997117 0.108603 0.082314 Rb\n0.502883 0.891397 0.582314 Rb\n0.501079 0.853012 0.258445 Rb\n0.998921 0.146988 0.758445 Rb\n0.495617 0.889375 0.943394 Sn\n0.504383 0.389375 0.556606 Sn\n0.004383 0.110625 0.443394 Sn\n0.995617 0.610625 0.056606 Sn\n0.337678 0.694699 0.047649 O\n0.496393 0.583054 0.434862 O\n0.996393 0.916946 0.565138 O\n0.162322 0.305301 0.547649 O\n0.503607 0.083054 0.065138 O\n0.662322 0.194699 0.452351 O\n0.837678 0.805301 0.952351 O\n0.003607 0.416946 0.934862 O\n",
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{
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"structure_string": "Li4 Nb1 V3 O8\n1.0\n10.578605 0.034197 0.012599\n8.862819 5.806242 0.009558\n14.148970 4.249377 2.572698\nLi Nb V O\n4 1 3 8\ndirect\n0.999919 0.000034 0.500015 Li\n0.000039 0.499985 0.499940 Li\n0.500008 0.999968 0.500075 Li\n0.500045 0.499963 0.499988 Li\n0.999766 0.000102 0.000099 Nb\n0.000154 0.500277 0.999698 V\n0.499812 0.000047 0.000129 V\n0.500195 0.499653 0.000094 V\n0.020140 0.021217 0.230672 O\n0.984458 0.497423 0.265785 O\n0.496537 0.985156 0.265676 O\n0.979774 0.978807 0.769422 O\n0.499517 0.500687 0.252833 O\n0.015677 0.502467 0.734356 O\n0.503547 0.014616 0.734189 O\n0.500410 0.499599 0.747028 O\n",
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{
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{
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"structure_string": "V6 O8 F4\n1.0\n5.617882 0.000000 0.000000\n1.350964 5.452615 0.000000\n2.019200 1.576268 6.633279\nV O F\n6 8 4\ndirect\n0.500000 0.500000 0.500000 V\n0.209382 0.122624 0.334035 V\n0.500000 0.500000 0.000000 V\n0.173509 0.167681 0.829650 V\n0.826491 0.832319 0.170350 V\n0.790618 0.877376 0.665965 V\n0.063857 0.066836 0.627544 O\n0.395378 0.391924 0.300773 O\n0.734411 0.737649 0.961400 O\n0.936143 0.933164 0.372456 O\n0.604622 0.608076 0.699227 O\n0.265589 0.262351 0.038600 O\n0.468179 0.862716 0.332992 O\n0.531821 0.137284 0.667008 O\n0.865261 0.466443 0.330688 F\n0.193710 0.803229 0.002229 F\n0.134739 0.533557 0.669312 F\n0.806290 0.196771 0.997771 F\n",
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{
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"structure_string": "Na4 Mg2 Al2 F14\n1.0\n-3.579547 3.723622 5.069768\n3.579547 -3.723622 5.069768\n3.579547 3.723622 -5.069768\nNa Mg Al F\n4 2 2 14\ndirect\n0.972886 0.414079 0.886965 Na\n0.027114 0.914079 0.441194 Na\n0.000000 0.920146 0.920146 Na\n0.500000 0.420146 0.920146 Na\n0.501861 0.909707 0.911568 Mg\n0.498139 0.409707 0.407846 Mg\n0.000000 0.409797 0.409797 Al\n0.500000 0.909797 0.409797 Al\n0.543742 0.207300 0.525124 F\n0.456258 0.981382 0.663557 F\n0.182176 0.707300 0.663557 F\n0.817824 0.481382 0.525124 F\n0.540499 0.837364 0.154877 F\n0.459501 0.614378 0.296866 F\n0.182487 0.337364 0.296866 F\n0.817513 0.114378 0.154877 F\n0.387437 0.158982 0.046419 F\n0.612563 0.658982 0.771545 F\n0.133504 0.324694 0.630573 F\n0.866496 0.497069 0.191190 F\n0.194121 0.824694 0.191190 F\n0.805879 0.997069 0.630573 F\n",
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"updated_at": "2021-11-28T01:39:55.292000Z",
"spacegroup": 46
},
{
"id": "mp-1211265",
"created_at": "2022-09-04T14:48:30.234420Z",
"structure_string": "Rb4 Dy4 S8 O48\n1.0\n-6.066900 0.000000 0.580472\n-0.154485 0.000000 -9.150624\n0.000000 -20.013020 0.000000\nRb Dy S O\n4 4 8 48\ndirect\n0.843145 0.864685 0.710728 Rb\n0.156855 0.135315 0.289272 Rb\n0.156855 0.635315 0.210728 Rb\n0.843145 0.364685 0.789272 Rb\n0.381342 0.721756 0.860462 Dy\n0.618658 0.278244 0.139538 Dy\n0.618658 0.778244 0.360462 Dy\n0.381342 0.221756 0.639538 Dy\n0.367779 0.590721 0.721532 S\n0.632221 0.409279 0.278468 S\n0.632221 0.909279 0.221532 S\n0.367779 0.090721 0.778468 S\n0.812801 0.747428 0.930056 S\n0.187199 0.252572 0.069944 S\n0.187199 0.752572 0.430056 S\n0.812801 0.247428 0.569944 S\n0.190548 0.995807 0.625908 O\n0.809452 0.004193 0.374092 O\n0.809452 0.504193 0.125908 O\n0.190548 0.495807 0.874092 O\n0.653839 0.613647 0.922209 O\n0.346161 0.386353 0.077791 O\n0.346161 0.886353 0.422209 O\n0.653839 0.113647 0.577791 O\n0.831075 0.878985 0.264370 O\n0.168925 0.121015 0.735630 O\n0.168925 0.621015 0.764370 O\n0.831075 0.378985 0.235630 O\n0.442480 0.992794 0.974854 O\n0.557520 0.007206 0.025146 O\n0.557520 0.507206 0.474854 O\n0.442480 0.492794 0.525146 O\n0.762663 0.725644 0.570770 O\n0.237337 0.274356 0.429230 O\n0.237337 0.774356 0.070770 O\n0.762663 0.225644 0.929230 O\n0.390337 0.691149 0.665646 O\n0.609663 0.308851 0.334354 O\n0.609663 0.808851 0.165646 O\n0.390337 0.191149 0.834354 O\n0.714851 0.859415 0.885456 O\n0.285149 0.140585 0.114544 O\n0.285149 0.640585 0.385456 O\n0.714851 0.359415 0.614544 O\n0.347760 0.933713 0.798742 O\n0.652240 0.066287 0.201258 O\n0.652240 0.566287 0.298742 O\n0.347760 0.433713 0.701258 O\n0.558292 0.616433 0.770736 O\n0.441708 0.383567 0.229264 O\n0.441708 0.883567 0.270736 O\n0.558292 0.116433 0.729264 O\n0.845209 0.793956 0.998332 O\n0.154791 0.206044 0.001668 O\n0.154791 0.706044 0.498332 O\n0.845209 0.293956 0.501668 O\n0.691014 0.798034 0.525156 O\n0.308986 0.201966 0.474844 O\n0.308986 0.701966 0.025156 O\n0.691014 0.298034 0.974844 O\n0.032763 0.717895 0.898445 O\n0.967237 0.282105 0.101555 O\n0.967237 0.782105 0.398445 O\n0.032763 0.217895 0.601555 O\n",
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],
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"formula_full": "Rb4 Dy4 S8 O48",
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"updated_at": "2021-11-28T01:39:55.258000Z",
"spacegroup": 14
},
{
"id": "mp-1191275",
"created_at": "2022-09-04T14:48:31.002869Z",
"structure_string": "Ho6 Si4 Ni12\n1.0\n-4.367238 4.367238 4.367238\n4.367238 -4.367238 4.367238\n4.367238 4.367238 -4.367238\nHo Si Ni\n6 4 12\ndirect\n0.716252 0.716252 0.000000 Ho\n0.283748 0.000000 0.283748 Ho\n0.000000 0.283748 0.283748 Ho\n0.283748 0.283748 0.000000 Ho\n0.716252 0.000000 0.716252 Ho\n0.000000 0.716252 0.716252 Ho\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.331058 0.331058 0.662116 Ni\n0.668942 0.000000 0.331058 Ni\n0.000000 0.668942 0.331058 Ni\n0.668942 0.331058 0.000000 Ni\n0.331058 0.662116 0.331058 Ni\n0.000000 0.331058 0.668942 Ni\n0.331058 0.668942 0.000000 Ni\n0.331058 0.000000 0.668942 Ni\n0.662116 0.331058 0.331058 Ni\n0.668942 0.668942 0.337884 Ni\n0.668942 0.337884 0.668942 Ni\n0.337884 0.668942 0.668942 Ni\n",
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"elements": [
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],
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}
]
}