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{
"count": 146323,
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"results": [
{
"id": "mp-721712",
"created_at": "2022-09-04T14:46:01.949525Z",
"structure_string": "Na4 H16 C4 S4 N4 O8\n1.0\n6.944089 6.062999 0.000000\n-6.944089 6.062999 0.000000\n0.000000 2.143277 6.062684\nNa H C S N O\n4 16 4 4 4 8\ndirect\n0.934150 0.065850 0.750000 Na\n0.065850 0.934150 0.250000 Na\n0.199324 0.800676 0.750000 Na\n0.800676 0.199324 0.250000 Na\n0.975343 0.632716 0.164847 H\n0.367284 0.024657 0.335153 H\n0.024657 0.367284 0.835153 H\n0.632716 0.975343 0.664847 H\n0.138351 0.629420 0.188858 H\n0.370580 0.861649 0.311142 H\n0.861649 0.370580 0.811142 H\n0.629420 0.138351 0.688858 H\n0.241158 0.504853 0.604461 H\n0.495147 0.758842 0.895539 H\n0.758842 0.495147 0.395539 H\n0.504853 0.241158 0.104461 H\n0.259590 0.495826 0.843279 H\n0.504174 0.740410 0.656721 H\n0.740410 0.504174 0.156721 H\n0.495826 0.259590 0.343279 H\n0.850286 0.701862 0.705111 C\n0.298138 0.149714 0.794889 C\n0.149714 0.298138 0.294889 C\n0.701862 0.850286 0.205111 C\n0.717108 0.552463 0.757411 S\n0.447537 0.282892 0.742589 S\n0.282892 0.447537 0.242589 S\n0.552463 0.717108 0.257411 S\n0.944920 0.811806 0.669770 N\n0.188194 0.055080 0.830230 N\n0.055080 0.188194 0.330230 N\n0.811806 0.944920 0.169770 N\n0.073852 0.700423 0.140458 O\n0.299577 0.926148 0.359542 O\n0.926148 0.299577 0.859542 O\n0.700423 0.073852 0.640458 O\n0.196928 0.529780 0.743332 O\n0.470220 0.803072 0.756668 O\n0.803072 0.470220 0.256668 O\n0.529780 0.196928 0.243332 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Na",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-Na-O-S",
"density": 1.5236260972470501,
"density_atomic": 0.07835420133089181,
"volume": 510.5023000755118,
"volume_molar": 7.685791773396226,
"formula_full": "Na4 H16 C4 S4 N4 O8",
"formula_reduced": "NaH4CSNO2",
"formula_anonymous": "ABCDE2F4",
"energy": -225.27164312,
"energy_per_atom": -5.631791078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.31964312,
"band_gap": 3.9944,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027404,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.437000Z",
"spacegroup": 15
},
{
"id": "mp-772637",
"created_at": "2022-09-04T14:46:04.671488Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.769928 0.000000 0.000000\n-0.032465 8.747831 0.000000\n-0.006659 -0.207753 10.136858\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.249786 0.915719 0.379012 Na\n0.999843 0.747291 0.627370 Na\n0.999213 0.743659 0.122653 Na\n0.501388 0.744090 0.122633 Na\n0.500331 0.252845 0.875384 Na\n0.501268 0.254232 0.374762 Na\n0.247984 0.920869 0.875109 Li\n0.477137 0.729941 0.619030 Li\n0.980366 0.265536 0.884236 Li\n0.978027 0.271350 0.385682 Li\n0.753252 0.086189 0.626735 Li\n0.760968 0.089582 0.123289 Li\n0.748543 0.641665 0.884942 Mn\n0.746202 0.639582 0.391056 Mn\n0.244275 0.354933 0.613433 Mn\n0.245444 0.355807 0.108648 Mn\n0.249778 0.595149 0.849103 P\n0.243828 0.585402 0.354308 P\n0.748842 0.404771 0.648371 P\n0.753645 0.401704 0.145424 P\n0.757557 0.954816 0.865254 C\n0.758861 0.954586 0.367082 C\n0.256484 0.051979 0.639310 C\n0.248658 0.052041 0.129732 C\n0.275979 0.905416 0.655115 O\n0.250645 0.906504 0.150101 O\n0.752005 0.911277 0.987495 O\n0.753377 0.910911 0.488790 O\n0.744656 0.853370 0.769329 O\n0.745326 0.852256 0.271375 O\n0.067949 0.696099 0.886584 O\n0.433811 0.684746 0.900043 O\n0.062018 0.683181 0.396701 O\n0.429750 0.674777 0.405631 O\n0.263752 0.579105 0.695149 O\n0.733874 0.570602 0.595255 O\n0.251174 0.573061 0.200694 O\n0.750701 0.564849 0.087921 O\n0.234297 0.431138 0.904908 O\n0.770143 0.419203 0.801797 O\n0.233297 0.420863 0.408050 O\n0.770747 0.419677 0.299214 O\n0.564442 0.305763 0.612638 O\n0.927462 0.314394 0.590656 O\n0.565487 0.307263 0.109700 O\n0.928803 0.304306 0.091094 O\n0.239604 0.141730 0.742552 O\n0.244446 0.147760 0.229924 O\n0.252429 0.110842 0.523005 O\n0.250575 0.102215 0.010052 O\n0.775083 0.097632 0.836236 O\n0.776485 0.097322 0.337434 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8193264303288723,
"density_atomic": 0.08661947490466239,
"volume": 600.3268901968493,
"volume_molar": 6.952409682266327,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -376.98523993,
"energy_per_atom": -7.2497161525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.07723993,
"band_gap": 3.3033,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0041416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.564000Z",
"spacegroup": 1
},
{
"id": "mp-776752",
"created_at": "2022-09-04T14:46:09.350475Z",
"structure_string": "Li4 Mn2 Fe3 Sb1 P6 O24\n1.0\n8.457093 0.000000 0.000000\n3.649777 7.730493 0.000000\n3.620139 2.366572 7.389405\nLi Mn Fe Sb P O\n4 2 3 1 6 24\ndirect\n0.749173 0.142655 0.355944 Li\n0.283734 0.840748 0.647376 Li\n0.643167 0.280092 0.840321 Li\n0.841886 0.644380 0.287591 Li\n0.013857 0.001243 0.996634 Mn\n0.485210 0.506841 0.500187 Mn\n0.148381 0.150698 0.146337 Fe\n0.347781 0.348439 0.346538 Fe\n0.660268 0.659524 0.662638 Fe\n0.841310 0.834963 0.842510 Sb\n0.071781 0.747108 0.430715 P\n0.430681 0.072980 0.747940 P\n0.746202 0.431705 0.070086 P\n0.250454 0.542557 0.949853 P\n0.551098 0.949876 0.251708 P\n0.941223 0.247660 0.544055 P\n0.108837 0.308603 0.487752 O\n0.323673 0.499131 0.104374 O\n0.068003 0.904848 0.251892 O\n0.534259 0.102264 0.314973 O\n0.067817 0.805637 0.581564 O\n0.254036 0.590131 0.407819 O\n0.244593 0.087986 0.893394 O\n0.426173 0.249506 0.581735 O\n0.171288 0.398568 0.985213 O\n0.593910 0.409085 0.257100 O\n0.103810 0.742126 0.927643 O\n0.393766 0.997961 0.183484 O\n0.581138 0.062980 0.814419 O\n0.890673 0.241256 0.087914 O\n0.404020 0.563026 0.761771 O\n0.810746 0.580280 0.062214 O\n0.562619 0.763065 0.408326 O\n0.747905 0.917755 0.103291 O\n0.756628 0.406282 0.568081 O\n0.953845 0.175929 0.402501 O\n0.477771 0.904191 0.691698 O\n0.927916 0.100805 0.740909 O\n0.687537 0.477171 0.904389 O\n0.902829 0.686944 0.480110 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Li",
"Mn",
"Fe",
"Sb",
"P",
"O"
],
"chemical_system": "Fe-Li-Mn-O-P-Sb",
"density": 3.42612617151457,
"density_atomic": 0.08279845319383707,
"volume": 483.10081235886327,
"volume_molar": 7.2732527332385555,
"formula_full": "Li4 Mn2 Fe3 Sb1 P6 O24",
"formula_reduced": "Li4Mn2Fe3Sb(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -303.21879072,
"energy_per_atom": -7.580469768,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.62679072,
"band_gap": 1.1098999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 23.0214242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.155000Z",
"spacegroup": 1
},
{
"id": "mp-555189",
"created_at": "2022-09-04T14:46:09.452454Z",
"structure_string": "Rb8 Li4 C12 S12 O36 F36\n1.0\n16.594662 0.000000 0.000000\n0.000000 5.426133 0.000000\n0.000000 5.306234 20.045509\nRb Li C S O F\n8 4 12 12 36 36\ndirect\n0.375537 0.536255 0.987649 Rb\n0.841769 0.174126 0.723439 Rb\n0.875537 0.463745 0.512351 Rb\n0.624463 0.463745 0.012351 Rb\n0.658231 0.174126 0.223439 Rb\n0.341769 0.825874 0.776561 Rb\n0.158231 0.825874 0.276561 Rb\n0.124463 0.536255 0.487649 Rb\n0.232280 0.955832 0.574989 Li\n0.267720 0.955832 0.074989 Li\n0.732280 0.044168 0.925011 Li\n0.767720 0.044168 0.425011 Li\n0.089614 0.450928 0.097180 C\n0.410386 0.450928 0.597180 C\n0.641376 0.806703 0.610221 C\n0.589614 0.549072 0.402820 C\n0.858624 0.806703 0.110221 C\n0.551901 0.298642 0.806126 C\n0.051901 0.701358 0.693874 C\n0.948099 0.298642 0.306126 C\n0.358624 0.193297 0.389779 C\n0.141376 0.193297 0.889779 C\n0.910386 0.549072 0.902820 C\n0.448099 0.701358 0.193874 C\n0.750521 0.865488 0.589570 S\n0.032976 0.903003 0.607469 S\n0.250521 0.134512 0.910430 S\n0.249479 0.134512 0.410430 S\n0.692971 0.602451 0.365843 S\n0.467024 0.903003 0.107469 S\n0.749479 0.865488 0.089570 S\n0.967024 0.096997 0.392531 S\n0.532976 0.096997 0.892531 S\n0.307029 0.397549 0.634157 S\n0.192971 0.397549 0.134157 S\n0.807029 0.602451 0.865843 S\n0.183112 0.430228 0.201182 O\n0.745140 0.865857 0.018703 O\n0.792663 0.651820 0.633375 O\n0.501523 0.275132 0.928402 O\n0.886361 0.999042 0.414918 O\n0.316888 0.430228 0.701182 O\n0.245140 0.134143 0.481297 O\n0.523256 0.096779 0.116998 O\n0.707337 0.651820 0.133375 O\n0.754860 0.865857 0.518703 O\n0.001523 0.724868 0.571598 O\n0.257114 0.589754 0.589031 O\n0.233859 0.886263 0.397844 O\n0.766141 0.113737 0.602156 O\n0.733859 0.113737 0.102156 O\n0.113639 0.000958 0.585082 O\n0.613639 0.999042 0.914918 O\n0.292663 0.348180 0.866625 O\n0.386361 0.000958 0.085082 O\n0.207337 0.348180 0.366625 O\n0.254860 0.134143 0.981297 O\n0.683112 0.569772 0.298818 O\n0.288211 0.134524 0.632808 O\n0.816888 0.569772 0.798818 O\n0.498477 0.724868 0.071598 O\n0.976744 0.096779 0.616998 O\n0.476744 0.903221 0.883002 O\n0.711789 0.865476 0.367192 O\n0.211789 0.134524 0.132808 O\n0.742886 0.410246 0.410969 O\n0.998477 0.275132 0.428402 O\n0.266141 0.886263 0.897844 O\n0.023256 0.903221 0.383002 O\n0.757114 0.410246 0.910969 O\n0.242886 0.589754 0.089031 O\n0.788211 0.865476 0.867192 O\n0.038339 0.275911 0.134176 F\n0.120455 0.431549 0.892261 F\n0.620455 0.568451 0.607739 F\n0.626684 0.830449 0.672779 F\n0.563727 0.312885 0.402100 F\n0.436273 0.687115 0.597900 F\n0.411077 0.429784 0.533871 F\n0.379545 0.431549 0.392261 F\n0.588923 0.570216 0.466129 F\n0.961661 0.724089 0.865824 F\n0.879545 0.568451 0.107739 F\n0.936273 0.312885 0.902100 F\n0.126684 0.169551 0.827221 F\n0.873316 0.830449 0.172779 F\n0.904871 0.976943 0.066821 F\n0.595129 0.976943 0.566821 F\n0.461661 0.275911 0.634176 F\n0.373316 0.169551 0.327221 F\n0.981253 0.600459 0.722655 F\n0.897497 0.492504 0.307278 F\n0.538339 0.724089 0.365824 F\n0.602503 0.492504 0.807278 F\n0.911077 0.570216 0.966129 F\n0.018747 0.399541 0.277345 F\n0.063727 0.687115 0.097900 F\n0.915445 0.158016 0.267426 F\n0.518747 0.600459 0.222655 F\n0.397497 0.507496 0.192722 F\n0.415445 0.841984 0.232574 F\n0.095129 0.023057 0.933179 F\n0.102503 0.507496 0.692722 F\n0.404871 0.023057 0.433179 F\n0.584555 0.158016 0.767426 F\n0.481253 0.399541 0.777345 F\n0.088923 0.429784 0.033871 F\n0.084555 0.841984 0.732574 F\n",
"nsites": 108,
"nelements": 6,
"elements": [
"Rb",
"Li",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-Li-O-Rb-S",
"density": 2.30023118918238,
"density_atomic": 0.059833970279129935,
"volume": 1804.994712805651,
"volume_molar": 10.064752066269817,
"formula_full": "Rb8 Li4 C12 S12 O36 F36",
"formula_reduced": "Rb2LiC3S3(OF)9",
"formula_anonymous": "AB2C3D3E9F9",
"energy": -639.88883846,
"energy_per_atom": -5.924896652407408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -598.52483846,
"band_gap": 5.5914,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0349481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.338000Z",
"spacegroup": 14
},
{
"id": "mp-680331",
"created_at": "2022-09-04T14:46:10.564754Z",
"structure_string": "Cd4 Hg12 C24 S24 N24 Cl8\n1.0\n20.710475 -5.691017 0.000000\n20.710475 5.691017 0.000000\n19.146644 0.000000 9.732290\nCd Hg C S N Cl\n4 12 24 24 24 8\ndirect\n0.224260 0.224260 0.224260 Cd\n0.041495 0.041495 0.041495 Cd\n0.724260 0.724260 0.724260 Cd\n0.541495 0.541495 0.541495 Cd\n0.778739 0.851742 0.236028 Hg\n0.236028 0.778739 0.851742 Hg\n0.387495 0.049710 0.502141 Hg\n0.887495 0.002141 0.549710 Hg\n0.549710 0.887495 0.002141 Hg\n0.851742 0.236028 0.778739 Hg\n0.049710 0.502141 0.387495 Hg\n0.736028 0.351742 0.278739 Hg\n0.351742 0.278739 0.736028 Hg\n0.002141 0.549710 0.887495 Hg\n0.278739 0.736028 0.351742 Hg\n0.502141 0.387495 0.049710 Hg\n0.423644 0.373644 0.984989 C\n0.507386 0.000610 0.578630 C\n0.795375 0.388894 0.337064 C\n0.373644 0.984989 0.423644 C\n0.772625 0.251019 0.192504 C\n0.272625 0.692504 0.751019 C\n0.923644 0.484989 0.873644 C\n0.251019 0.192504 0.772625 C\n0.337064 0.795375 0.388894 C\n0.078630 0.500610 0.007386 C\n0.837064 0.888894 0.295375 C\n0.888894 0.295375 0.837064 C\n0.751019 0.272625 0.692504 C\n0.500610 0.007386 0.078630 C\n0.388894 0.337064 0.795375 C\n0.007386 0.078630 0.500610 C\n0.578630 0.507386 0.000610 C\n0.000610 0.578630 0.507386 C\n0.692504 0.751019 0.272625 C\n0.295375 0.837064 0.888894 C\n0.484989 0.873644 0.923644 C\n0.873644 0.923644 0.484989 C\n0.192504 0.772625 0.251019 C\n0.984989 0.423644 0.373644 C\n0.860859 0.133176 0.755260 S\n0.380534 0.955436 0.001575 S\n0.255260 0.633176 0.360859 S\n0.880534 0.501575 0.455436 S\n0.898415 0.013544 0.645393 S\n0.455436 0.880534 0.501575 S\n0.133176 0.755260 0.860859 S\n0.145393 0.513544 0.398415 S\n0.908209 0.312242 0.249559 S\n0.955436 0.001575 0.380534 S\n0.749559 0.812242 0.408209 S\n0.513544 0.398415 0.145393 S\n0.312242 0.249559 0.908209 S\n0.013544 0.645393 0.898415 S\n0.633176 0.360859 0.255260 S\n0.755260 0.860859 0.133176 S\n0.812242 0.408209 0.749559 S\n0.408209 0.749559 0.812242 S\n0.360859 0.255260 0.633176 S\n0.645393 0.898415 0.013544 S\n0.001575 0.380534 0.955436 S\n0.501575 0.455436 0.880534 S\n0.398415 0.145393 0.513544 S\n0.249559 0.908209 0.312242 S\n0.555404 0.817393 0.868735 N\n0.717746 0.440992 0.400052 N\n0.082168 0.127418 0.399872 N\n0.369463 0.646348 0.674675 N\n0.399872 0.082168 0.127418 N\n0.174675 0.146348 0.869463 N\n0.400052 0.717746 0.440992 N\n0.317393 0.055404 0.368735 N\n0.055404 0.368735 0.317393 N\n0.217746 0.900052 0.940992 N\n0.869463 0.174675 0.146348 N\n0.900052 0.940992 0.217746 N\n0.940992 0.217746 0.900052 N\n0.127418 0.399872 0.082168 N\n0.817393 0.868735 0.555404 N\n0.368735 0.317393 0.055404 N\n0.627418 0.582168 0.899872 N\n0.646348 0.674675 0.369463 N\n0.674675 0.369463 0.646348 N\n0.899872 0.627418 0.582168 N\n0.440992 0.400052 0.717746 N\n0.582168 0.899872 0.627418 N\n0.146348 0.869463 0.174675 N\n0.868735 0.555404 0.817393 N\n0.800058 0.800058 0.800058 Cl\n0.120711 0.067844 0.721080 Cl\n0.221080 0.567844 0.620711 Cl\n0.067844 0.721080 0.120711 Cl\n0.620711 0.221080 0.567844 Cl\n0.300058 0.300058 0.300058 Cl\n0.567844 0.620711 0.221080 Cl\n0.721080 0.120711 0.067844 Cl\n",
"nsites": 96,
"nelements": 6,
"elements": [
"Cd",
"Hg",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "C-Cd-Cl-Hg-N-S",
"density": 3.2819867276330505,
"density_atomic": 0.04184525833558292,
"volume": 2294.1667423849276,
"volume_molar": 14.391453176617388,
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{
"id": "mp-771022",
"created_at": "2022-09-04T14:44:09.595506Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n0.119184 -6.513914 5.161495\n8.708286 -0.108191 -5.046549\n-0.006131 6.560355 5.222405\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.287071 0.084046 0.557597 Na\n0.787305 0.084029 0.057424 Na\n0.255349 0.255473 0.253507 Na\n0.755113 0.255464 0.753502 Na\n0.206348 0.914130 0.949012 Na\n0.706193 0.914100 0.449153 Na\n0.021579 0.285822 0.488120 Li\n0.521381 0.285352 0.988628 Li\n0.487255 0.721622 0.012744 Li\n0.986985 0.721493 0.512810 Li\n0.255808 0.723910 0.235572 Li\n0.755810 0.724021 0.735849 Li\n0.694923 0.349907 0.440235 Fe\n0.809660 0.654453 0.058452 Fe\n0.195074 0.350043 0.940181 Fe\n0.309625 0.654613 0.558165 Fe\n0.435703 0.424071 0.688256 P\n0.935795 0.424034 0.188361 P\n0.063813 0.581956 0.807331 P\n0.563731 0.581890 0.307328 P\n0.010515 0.043418 0.761795 C\n0.510770 0.043578 0.261547 C\n0.486637 0.951996 0.746174 C\n0.986612 0.952015 0.246083 C\n0.059778 0.099500 0.337195 O\n0.559891 0.099446 0.837367 O\n0.153413 0.112204 0.907006 O\n0.653380 0.112193 0.406996 O\n0.949218 0.126315 0.695433 O\n0.449881 0.126613 0.195020 O\n0.525143 0.329474 0.581820 O\n0.025501 0.329689 0.082082 O\n0.356496 0.329877 0.788621 O\n0.856704 0.329946 0.288943 O\n0.280787 0.433318 0.552642 O\n0.780765 0.433123 0.052755 O\n0.938530 0.417421 0.668354 O\n0.438385 0.417383 0.168233 O\n0.571516 0.587579 0.821881 O\n0.071285 0.587641 0.321804 O\n0.210799 0.576874 0.957184 O\n0.710635 0.576837 0.457336 O\n0.152643 0.678859 0.714785 O\n0.652855 0.678833 0.215011 O\n0.956586 0.669195 0.893310 O\n0.456576 0.669335 0.393114 O\n0.552745 0.863841 0.797141 O\n0.052910 0.864031 0.297247 O\n0.344676 0.889754 0.601152 O\n0.844626 0.889646 0.101063 O\n0.432643 0.894885 0.184108 O\n0.932571 0.894750 0.684566 O\n",
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"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
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"updated_at": "2021-11-28T01:36:30.473000Z",
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},
{
"id": "mp-772922",
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"structure_string": "Al12 P12 H36 C8 N4 O52\n1.0\n17.589293 0.000000 0.000000\n0.000000 8.782870 0.000000\n0.000000 5.655545 8.725831\nAl P H C N O\n12 12 36 8 4 52\ndirect\n0.203982 0.266906 0.798243 Al\n0.388763 0.474961 0.664553 Al\n0.330987 0.820052 0.190016 Al\n0.888763 0.525039 0.835447 Al\n0.703982 0.733094 0.701757 Al\n0.169013 0.820052 0.690016 Al\n0.830987 0.179948 0.309984 Al\n0.296018 0.266906 0.298243 Al\n0.111237 0.474961 0.164553 Al\n0.669013 0.179948 0.809984 Al\n0.611237 0.525039 0.335447 Al\n0.796018 0.733094 0.201757 Al\n0.570631 0.527427 0.631954 P\n0.070631 0.472573 0.868046 P\n0.837571 0.757292 0.494307 P\n0.288301 0.823778 0.472613 P\n0.788301 0.176222 0.027387 P\n0.337571 0.242708 0.005693 P\n0.662429 0.757292 0.994307 P\n0.211699 0.823778 0.972613 P\n0.711699 0.176222 0.527387 P\n0.162429 0.242708 0.505693 P\n0.929369 0.527427 0.131954 P\n0.429369 0.472573 0.368046 P\n0.059387 0.572996 0.479586 H\n0.122726 0.757102 0.366383 H\n0.049518 0.777943 0.477050 H\n0.974625 0.041750 0.081301 H\n0.073577 0.034409 0.129117 H\n0.501211 0.943993 0.260348 H\n0.001211 0.056007 0.239652 H\n0.573577 0.965591 0.370883 H\n0.440613 0.572996 0.979586 H\n0.474625 0.958250 0.418699 H\n0.549518 0.222057 0.022950 H\n0.377274 0.757102 0.866383 H\n0.622726 0.242898 0.133617 H\n0.450482 0.777943 0.977050 H\n0.525375 0.041750 0.581301 H\n0.559387 0.427004 0.020414 H\n0.426423 0.034409 0.629117 H\n0.998789 0.943993 0.760348 H\n0.498789 0.056007 0.739652 H\n0.926423 0.965591 0.870883 H\n0.025375 0.958250 0.918699 H\n0.950482 0.222057 0.522950 H\n0.877274 0.242898 0.633617 H\n0.940613 0.427004 0.520414 H\n0.977692 0.267366 0.782754 H\n0.712496 0.652715 0.406107 H\n0.955353 0.757427 0.316097 H\n0.477692 0.732634 0.717246 H\n0.787504 0.652715 0.906107 H\n0.544647 0.757427 0.816097 H\n0.455353 0.242573 0.183903 H\n0.212496 0.347285 0.093893 H\n0.522308 0.267366 0.282754 H\n0.044647 0.242573 0.683903 H\n0.287504 0.347285 0.593893 H\n0.022308 0.732634 0.217246 H\n0.064429 0.720523 0.409631 C\n0.015655 0.995605 0.174295 C\n0.515655 0.004395 0.325705 C\n0.435571 0.720523 0.909631 C\n0.564429 0.279477 0.090369 C\n0.484345 0.995605 0.674295 C\n0.984345 0.004395 0.825705 C\n0.935571 0.279477 0.590369 C\n0.011318 0.794460 0.277280 N\n0.488682 0.794460 0.777280 N\n0.511318 0.205540 0.222720 N\n0.988682 0.205540 0.722720 N\n0.588920 0.320684 0.732646 O\n0.290337 0.363061 0.680502 O\n0.716330 0.238817 0.925533 O\n0.253205 0.271709 0.957159 O\n0.584003 0.597663 0.462004 O\n0.856336 0.293178 0.931691 O\n0.121282 0.369664 0.820268 O\n0.391213 0.363924 0.869975 O\n0.849465 0.712439 0.371594 O\n0.988177 0.440180 0.839906 O\n0.488177 0.559820 0.660094 O\n0.272696 0.797183 0.338612 O\n0.806032 0.977714 0.088695 O\n0.891213 0.636076 0.630025 O\n0.621282 0.630336 0.679732 O\n0.356336 0.706822 0.568309 O\n0.753205 0.728291 0.542841 O\n0.363285 0.043406 0.072996 O\n0.216330 0.761183 0.574467 O\n0.790337 0.636939 0.819498 O\n0.088920 0.679316 0.767354 O\n0.915997 0.597663 0.962004 O\n0.863285 0.956594 0.427004 O\n0.650535 0.712439 0.871594 O\n0.306032 0.022286 0.411305 O\n0.772696 0.202817 0.161388 O\n0.227304 0.797183 0.838612 O\n0.693968 0.977714 0.588695 O\n0.349465 0.287561 0.128406 O\n0.136715 0.043406 0.572996 O\n0.084003 0.402337 0.037996 O\n0.911080 0.320684 0.232646 O\n0.209663 0.363061 0.180502 O\n0.783670 0.238817 0.425533 O\n0.636715 0.956594 0.927004 O\n0.246795 0.271709 0.457159 O\n0.643664 0.293178 0.431691 O\n0.378718 0.369664 0.320268 O\n0.108787 0.363924 0.369975 O\n0.193968 0.022286 0.911305 O\n0.727304 0.202817 0.661388 O\n0.511823 0.440180 0.339906 O\n0.011823 0.559820 0.160094 O\n0.150535 0.287561 0.628406 O\n0.608787 0.636076 0.130025 O\n0.878718 0.630336 0.179732 O\n0.143664 0.706822 0.068309 O\n0.415997 0.402337 0.537996 O\n0.746795 0.728291 0.042841 O\n0.283670 0.761183 0.074467 O\n0.709663 0.636939 0.319498 O\n0.411080 0.679316 0.267354 O\n",
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"formula_full": "Al12 P12 H36 C8 N4 O52",
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"updated_at": "2021-11-28T01:36:34.056000Z",
"spacegroup": 14
}
]
}