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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=1737",
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"results": [
{
"id": "mp-1228786",
"created_at": "2022-09-04T14:45:04.949383Z",
"structure_string": "Ba4 Al2 Cu2 F18\n1.0\n7.445544 0.000000 0.000000\n0.000000 5.493688 0.000000\n0.000000 0.149564 9.416499\nBa Al Cu F\n4 2 2 18\ndirect\n0.661057 0.238201 0.945041 Ba\n0.161057 0.761799 0.054959 Ba\n0.389334 0.751974 0.588431 Ba\n0.889334 0.248026 0.411569 Ba\n0.364954 0.269264 0.323354 Al\n0.864954 0.730736 0.676646 Al\n0.669928 0.752950 0.232025 Cu\n0.169928 0.247050 0.767975 Cu\n0.843594 0.984413 0.173031 F\n0.343594 0.015587 0.826969 F\n0.198516 0.034665 0.305993 F\n0.698516 0.965335 0.694007 F\n0.825043 0.495314 0.172120 F\n0.325043 0.504686 0.827880 F\n0.195418 0.506931 0.330023 F\n0.695418 0.493069 0.669977 F\n0.517028 0.807157 0.052123 F\n0.017028 0.192843 0.947877 F\n0.349718 0.242383 0.518197 F\n0.849718 0.757617 0.481803 F\n0.547281 0.031851 0.340981 F\n0.047281 0.968149 0.659019 F\n0.395556 0.309745 0.138176 F\n0.895556 0.690255 0.861824 F\n0.542573 0.508515 0.357041 F\n0.042573 0.491485 0.642959 F\n",
"nsites": 26,
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"elements": [
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"Cu",
"F"
],
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"density": 4.62305881932713,
"density_atomic": 0.067503059587343,
"volume": 385.1677266029445,
"volume_molar": 8.921285637738956,
"formula_full": "Ba4 Al2 Cu2 F18",
"formula_reduced": "Ba2AlCuF9",
"formula_anonymous": "ABC2D9",
"energy": -150.14620135,
"energy_per_atom": -5.774853898076923,
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"updated_at": "2021-11-28T01:36:53.157000Z",
"spacegroup": 4
},
{
"id": "mp-1182159",
"created_at": "2022-09-04T14:45:05.364377Z",
"structure_string": "Co4 Br6 N12 O6\n1.0\n7.733278 0.000000 -0.426739\n0.000000 10.823315 0.000000\n-0.415031 0.000000 7.981392\nCo Br N O\n4 6 12 6\ndirect\n0.800419 0.202537 0.113961 Co\n0.199581 0.702537 0.886039 Co\n0.862115 0.366317 0.430370 Co\n0.137885 0.866317 0.569630 Co\n0.828664 0.400443 0.811191 Br\n0.171336 0.900443 0.188809 Br\n0.843367 0.983295 0.756802 Br\n0.156633 0.483295 0.243198 Br\n0.698962 0.755648 0.291064 Br\n0.301038 0.255648 0.708936 Br\n0.750482 0.064793 0.060041 N\n0.249518 0.564793 0.939959 N\n0.910771 0.282149 0.974216 N\n0.089229 0.782149 0.025784 N\n0.588904 0.278089 0.121516 N\n0.411096 0.778089 0.878484 N\n0.019545 0.478979 0.412619 N\n0.980455 0.978979 0.587381 N\n0.576642 0.627164 0.450591 N\n0.423358 0.127164 0.549409 N\n0.732363 0.383480 0.592948 N\n0.267637 0.883480 0.407052 N\n0.594494 0.378508 0.181731 O\n0.405506 0.878508 0.818269 O\n0.884731 0.228167 0.326478 O\n0.115269 0.728167 0.673522 O\n0.463573 0.168431 0.426039 O\n0.536427 0.668431 0.573961 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Co",
"Br",
"N",
"O"
],
"chemical_system": "Br-Co-N-O",
"density": 2.441073276425151,
"density_atomic": 0.04203426445743732,
"volume": 666.1232297368256,
"volume_molar": 14.326742332074934,
"formula_full": "Co4 Br6 N12 O6",
"formula_reduced": "Co2Br3(N2O)3",
"formula_anonymous": "A2B3C3D6",
"energy": -151.45240591,
"energy_per_atom": -5.409014496785715,
"energy_above_hull": null,
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"energy_uncorrected": -136.44640591,
"band_gap": 0.2774999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9997636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.359000Z",
"spacegroup": 4
},
{
"id": "mp-22809",
"created_at": "2022-09-04T14:45:05.051287Z",
"structure_string": "K2 Ce2 Si2 S8\n1.0\n6.700268 0.000000 0.000000\n0.000000 6.575422 0.000000\n0.000000 2.615131 8.428694\nK Ce Si S\n2 2 2 8\ndirect\n0.500937 0.277378 0.931941 K\n0.000937 0.722622 0.068059 K\n0.519126 0.229890 0.450070 Ce\n0.019126 0.770110 0.549930 Ce\n0.489158 0.783618 0.318960 Si\n0.989158 0.216382 0.681040 Si\n0.449440 0.598152 0.561491 S\n0.949440 0.401848 0.438509 S\n0.989982 0.413314 0.831380 S\n0.489982 0.586686 0.168620 S\n0.750933 0.977915 0.287851 S\n0.250933 0.022085 0.712149 S\n0.753425 0.987270 0.727325 S\n0.253425 0.012730 0.272675 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Ce",
"Si",
"S"
],
"chemical_system": "Ce-K-S-Si",
"density": 3.0010479065477735,
"density_atomic": 0.03770091962411975,
"volume": 371.34372687936457,
"volume_molar": 15.973458525789495,
"formula_full": "K2 Ce2 Si2 S8",
"formula_reduced": "KCeSiS4",
"formula_anonymous": "ABCD4",
"energy": -81.68076372,
"energy_per_atom": -5.834340265714286,
"energy_above_hull": null,
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"energy_uncorrected": -77.65676372,
"band_gap": 0.0743,
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"is_magnetic": true,
"total_magnetization": 2.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.050000Z",
"spacegroup": 4
},
{
"id": "mp-768172",
"created_at": "2022-09-04T14:45:05.108236Z",
"structure_string": "Na4 Sn2 P2 C2 O14\n1.0\n6.914965 0.000000 0.000000\n0.000000 5.576873 0.000000\n0.000000 0.542726 9.127887\nNa Sn P C O\n4 2 2 2 14\ndirect\n0.258198 0.776323 0.083432 Na\n0.034333 0.260023 0.273194 Na\n0.534333 0.739977 0.726806 Na\n0.758198 0.223677 0.916568 Na\n0.738649 0.783663 0.340984 Sn\n0.238649 0.216337 0.659016 Sn\n0.247153 0.725046 0.418502 P\n0.747153 0.274954 0.581498 P\n0.751910 0.688241 0.051269 C\n0.251910 0.311759 0.948731 C\n0.739016 0.911074 0.092735 O\n0.229454 0.361779 0.081265 O\n0.785127 0.520350 0.155674 O\n0.423669 0.779793 0.314292 O\n0.072284 0.823993 0.323751 O\n0.770285 0.155760 0.433979 O\n0.221911 0.448501 0.449056 O\n0.721911 0.551499 0.550944 O\n0.270285 0.844240 0.566021 O\n0.572284 0.176007 0.676249 O\n0.923669 0.220207 0.685708 O\n0.285127 0.479650 0.844326 O\n0.729453 0.638221 0.918735 O\n0.239016 0.088926 0.907265 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Sn",
"density": 3.01598868125948,
"density_atomic": 0.06818051005219924,
"volume": 352.00675356675265,
"volume_molar": 8.832642576873402,
"formula_full": "Na4 Sn2 P2 C2 O14",
"formula_reduced": "Na2SnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -164.57180574999998,
"energy_per_atom": -6.857158572916666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -154.95380575,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.020559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.364000Z",
"spacegroup": 4
},
{
"id": "mp-1188375",
"created_at": "2022-09-04T14:45:05.367198Z",
"structure_string": "Sr6 U2 O12\n1.0\n6.058915 0.000000 -0.016394\n0.000000 6.269478 0.000000\n0.004625 0.000000 8.706354\nSr U O\n6 2 12\ndirect\n0.751230 0.477971 0.250547 Sr\n0.248770 0.977971 0.749453 Sr\n0.742741 0.928968 0.004420 Sr\n0.257259 0.428968 0.995580 Sr\n0.239174 0.526917 0.505724 Sr\n0.760826 0.026917 0.494276 Sr\n0.745811 0.477537 0.750253 U\n0.254189 0.977537 0.249747 U\n0.365228 0.920634 0.476325 O\n0.634772 0.420634 0.523675 O\n0.458213 0.645787 0.797626 O\n0.541787 0.145787 0.202374 O\n0.910433 0.759167 0.682680 O\n0.089567 0.259167 0.317320 O\n0.860024 0.537061 0.975389 O\n0.139976 0.037061 0.024611 O\n0.970360 0.804739 0.301855 O\n0.029640 0.304739 0.698145 O\n0.420350 0.698320 0.179207 O\n0.579650 0.198320 0.820793 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"U",
"O"
],
"chemical_system": "O-Sr-U",
"density": 5.993862766575278,
"density_atomic": 0.060473737054968425,
"volume": 330.72207827706643,
"volume_molar": 9.958274539121163,
"formula_full": "Sr6 U2 O12",
"formula_reduced": "Sr3UO6",
"formula_anonymous": "AB3C6",
"energy": -162.76172729,
"energy_per_atom": -8.138086364500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -154.51772729,
"band_gap": 2.2266000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.921000Z",
"spacegroup": 4
},
{
"id": "mp-1196451",
"created_at": "2022-09-04T14:45:05.192675Z",
"structure_string": "Ga6 Sb14 S16 Cl28\n1.0\n12.297628 0.000000 0.000000\n0.000000 8.999599 0.000000\n0.000000 0.949974 17.442735\nGa Sb S Cl\n6 14 16 28\ndirect\n0.142716 0.720005 0.963209 Ga\n0.642716 0.279995 0.036791 Ga\n0.619312 0.766831 0.735771 Ga\n0.119312 0.233169 0.264229 Ga\n0.131954 0.733936 0.529999 Ga\n0.631954 0.266064 0.470001 Ga\n0.130776 0.314998 0.755276 Sb\n0.630776 0.685002 0.244724 Sb\n0.924742 0.046716 0.852720 Sb\n0.424742 0.953284 0.147280 Sb\n0.856841 0.437574 0.849211 Sb\n0.356841 0.562426 0.150789 Sb\n0.849606 0.249035 0.655549 Sb\n0.349606 0.750965 0.344451 Sb\n0.403598 0.427938 0.656071 Sb\n0.903598 0.572062 0.343929 Sb\n0.335544 0.037886 0.675492 Sb\n0.835544 0.962114 0.324508 Sb\n0.415171 0.243781 0.859300 Sb\n0.915171 0.756219 0.140700 Sb\n0.009557 0.087472 0.717314 S\n0.509557 0.912528 0.282686 S\n0.759838 0.200587 0.825951 S\n0.259838 0.799413 0.174049 S\n0.021629 0.278031 0.893179 S\n0.521629 0.721969 0.106821 S\n0.922518 0.476190 0.712990 S\n0.422518 0.523810 0.287010 S\n0.240455 0.267921 0.619485 S\n0.740455 0.732079 0.380515 S\n0.500774 0.189424 0.692980 S\n0.000774 0.810576 0.307020 S\n0.252973 0.088084 0.809221 S\n0.752973 0.911916 0.190779 S\n0.339877 0.472542 0.790509 S\n0.839877 0.527458 0.209491 S\n0.309005 0.277633 0.973981 Cl\n0.809005 0.722367 0.026019 Cl\n0.964111 0.305217 0.546581 Cl\n0.464111 0.694783 0.453419 Cl\n0.320288 0.714101 0.961985 Cl\n0.820288 0.285899 0.038015 Cl\n0.079791 0.546010 0.045764 Cl\n0.579791 0.453990 0.954236 Cl\n0.088148 0.940962 0.997735 Cl\n0.588148 0.059038 0.002265 Cl\n0.073524 0.683561 0.847846 Cl\n0.573524 0.316439 0.152154 Cl\n0.630458 0.518970 0.753431 Cl\n0.130458 0.481030 0.246569 Cl\n0.541735 0.811751 0.624310 Cl\n0.041735 0.188249 0.375690 Cl\n0.789695 0.847755 0.737376 Cl\n0.289695 0.152245 0.262624 Cl\n0.518437 0.861107 0.824321 Cl\n0.018437 0.138893 0.175679 Cl\n0.189612 0.661678 0.648038 Cl\n0.689612 0.338322 0.351962 Cl\n0.955931 0.763167 0.528843 Cl\n0.455931 0.236833 0.471157 Cl\n0.178616 0.560353 0.450368 Cl\n0.678616 0.439647 0.549632 Cl\n0.220717 0.940616 0.497995 Cl\n0.720717 0.059384 0.502005 Cl\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Ga",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-Ga-S-Sb",
"density": 3.1213416565123207,
"density_atomic": 0.033152850926092534,
"volume": 1930.4523807824203,
"volume_molar": 18.164774949295087,
"formula_full": "Ga6 Sb14 S16 Cl28",
"formula_reduced": "Ga3Sb7(S4Cl7)2",
"formula_anonymous": "A3B7C8D14",
"energy": -265.65115476,
"energy_per_atom": -4.150799293125,
"energy_above_hull": null,
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"energy_uncorrected": -240.41115476,
"band_gap": 2.0643,
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"updated_at": "2021-11-28T01:36:53.526000Z",
"spacegroup": 4
},
{
"id": "mp-763567",
"created_at": "2022-09-04T14:45:05.203422Z",
"structure_string": "Li4 V4 C8 O24\n1.0\n-6.525321 -0.000117 -0.321740\n2.334664 -0.000018 9.306108\n0.000121 7.966089 -0.000097\nLi V C O\n4 4 8 24\ndirect\n0.060655 0.674457 0.049296 Li\n0.558296 0.175031 0.048393 Li\n0.939089 0.825464 0.549041 Li\n0.442059 0.325041 0.548475 Li\n0.492841 0.507514 0.000341 V\n0.507360 0.992606 0.500017 V\n0.991779 0.008202 0.000626 V\n0.008046 0.491767 0.501014 V\n0.306726 0.442458 0.262925 C\n0.806290 0.943953 0.263368 C\n0.193677 0.556029 0.763734 C\n0.693259 0.057566 0.762637 C\n0.785323 0.433770 0.241635 C\n0.284091 0.933431 0.241448 C\n0.716010 0.566578 0.741796 C\n0.214588 0.066196 0.741259 C\n0.445146 0.568149 0.242716 O\n0.946746 0.068856 0.243720 O\n0.053055 0.431188 0.744147 O\n0.554967 0.931853 0.742316 O\n0.262321 0.357577 0.133334 O\n0.759506 0.859687 0.133587 O\n0.240525 0.640212 0.633875 O\n0.737786 0.142513 0.633157 O\n0.221962 0.400170 0.410982 O\n0.721299 0.901463 0.411449 O\n0.278723 0.598528 0.911774 O\n0.777813 0.099789 0.910770 O\n0.949215 0.549101 0.247974 O\n0.447321 0.049230 0.247162 O\n0.552806 0.450793 0.747565 O\n0.050650 0.950901 0.747570 O\n0.734213 0.362748 0.382863 O\n0.234332 0.862633 0.383072 O\n0.765941 0.637378 0.883390 O\n0.265646 0.137199 0.882495 O\n0.683441 0.389531 0.103262 O\n0.181553 0.888692 0.103556 O\n0.818382 0.611316 0.603840 O\n0.316564 0.110432 0.602935 O\n",
"nsites": 40,
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"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.4732968510007893,
"density_atomic": 0.08372409592979177,
"volume": 477.7597124911646,
"volume_molar": 7.192840595197309,
"formula_full": "Li4 V4 C8 O24",
"formula_reduced": "LiV(CO3)2",
"formula_anonymous": "ABC2D6",
"energy": -317.19351968,
"energy_per_atom": -7.929837992,
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"spacegroup": 4
},
{
"id": "mp-850411",
"created_at": "2022-09-04T14:45:05.777674Z",
"structure_string": "Fe14 S16\n1.0\n-1.223303 0.004876 6.128818\n11.805357 0.005169 -2.532912\n0.004633 5.718337 0.004356\nFe S\n14 16\ndirect\n0.045335 0.010907 0.985813 Fe\n0.283491 0.145479 0.539608 Fe\n0.450987 0.982017 0.476766 Fe\n0.544830 0.267482 0.980122 Fe\n0.715362 0.103165 0.037699 Fe\n0.960576 0.240808 0.490381 Fe\n0.951355 0.479204 0.017096 Fe\n0.251172 0.374649 0.001603 Fe\n0.538696 0.508528 0.511187 Fe\n0.212961 0.603490 0.462982 Fe\n0.465502 0.742995 0.008337 Fe\n0.787578 0.645616 0.964027 Fe\n0.749100 0.875714 0.500061 Fe\n0.046102 0.769611 0.517525 Fe\n0.615168 0.192794 0.337610 S\n0.868578 0.063141 0.677781 S\n0.890152 0.297483 0.838457 S\n0.133468 0.187244 0.176776 S\n0.110772 0.421886 0.326125 S\n0.386508 0.327463 0.674478 S\n0.365696 0.563236 0.823476 S\n0.610079 0.452123 0.161905 S\n0.633570 0.687263 0.325141 S\n0.883526 0.556217 0.663883 S\n0.884843 0.828041 0.828008 S\n0.118741 0.693992 0.163923 S\n0.108887 0.952511 0.337556 S\n0.389089 0.798888 0.661052 S\n0.609803 0.922067 0.175424 S\n0.388074 0.055987 0.835199 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.429488202734369,
"density_atomic": 0.07575388005651199,
"volume": 396.01931911104964,
"volume_molar": 7.949613611220331,
"formula_full": "Fe14 S16",
"formula_reduced": "Fe7S8",
"formula_anonymous": "A7B8",
"energy": -203.15264927,
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"updated_at": "2021-11-28T01:36:47.760000Z",
"spacegroup": 4
},
{
"id": "mp-767649",
"created_at": "2022-09-04T14:45:06.677967Z",
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"formula_full": "Li4 V2 F12",
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},
{
"id": "mp-972831",
"created_at": "2022-09-04T14:45:06.580944Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n5.008923 0.000000 0.000000\n0.000000 5.385999 0.000000\n0.000000 2.440701 4.806357\nSi Ge N O\n2 2 4 2\ndirect\n0.314439 0.665166 0.481891 Si\n0.814439 0.334834 0.518109 Si\n0.316131 0.019492 0.824338 Ge\n0.816131 0.980508 0.175662 Ge\n0.675126 0.086938 0.826390 N\n0.654679 0.652784 0.425296 N\n0.154679 0.347216 0.574704 N\n0.175126 0.913062 0.173610 N\n0.243623 0.748873 0.732040 O\n0.743623 0.251127 0.267960 O\n",
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"formula_full": "Si2 Ge2 N4 O2",
"formula_reduced": "SiGeN2O",
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{
"id": "mp-1222546",
"created_at": "2022-09-04T14:45:06.678979Z",
"structure_string": "Li4 Cu4 Sb4 O16\n1.0\n9.908592 0.000000 0.000000\n0.000000 5.817050 0.000000\n0.000000 2.901789 5.550304\nLi Cu Sb O\n4 4 4 16\ndirect\n0.800989 0.639880 0.724525 Li\n0.300989 0.360120 0.275475 Li\n0.230821 0.988794 0.005007 Li\n0.730821 0.011206 0.994993 Li\n0.500902 0.838679 0.820731 Cu\n0.499596 0.341937 0.820245 Cu\n0.000902 0.161321 0.179269 Cu\n0.999596 0.658063 0.179755 Cu\n0.231527 0.688660 0.618714 Sb\n0.731527 0.311340 0.381286 Sb\n0.504209 0.832405 0.336213 Sb\n0.004209 0.167595 0.663787 Sb\n0.122207 0.842100 0.311321 O\n0.622207 0.157900 0.688679 O\n0.422019 0.996851 0.006929 O\n0.922019 0.003149 0.993071 O\n0.131051 0.860181 0.787769 O\n0.133032 0.346650 0.789569 O\n0.631051 0.139819 0.212231 O\n0.633032 0.653350 0.210431 O\n0.359669 0.546740 0.907645 O\n0.859669 0.453260 0.092355 O\n0.596578 0.671389 0.657516 O\n0.096578 0.328611 0.342484 O\n0.363707 0.546416 0.453659 O\n0.362691 0.996881 0.455490 O\n0.863707 0.453584 0.546341 O\n0.862691 0.003119 0.544510 O\n",
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"elements": [
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],
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"formula_full": "Li4 Cu4 Sb4 O16",
"formula_reduced": "LiCuSbO4",
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},
{
"id": "mp-729342",
"created_at": "2022-09-04T14:45:06.683848Z",
"structure_string": "Rb6 Bi4 S4 Cl10 O20\n1.0\n21.716307 0.000000 0.000000\n0.000000 6.339749 0.000000\n0.000000 0.880856 7.499052\nRb Bi S Cl O\n6 4 4 10 20\ndirect\n0.626005 0.005826 0.607896 Rb\n0.126005 0.994174 0.392104 Rb\n0.816996 0.875334 0.330423 Rb\n0.316996 0.124666 0.669577 Rb\n0.965920 0.745531 0.822533 Rb\n0.465920 0.254469 0.177467 Rb\n0.800564 0.315326 0.792115 Bi\n0.300564 0.684674 0.207885 Bi\n0.643832 0.573632 0.138848 Bi\n0.143832 0.426368 0.861152 Bi\n0.787577 0.810736 0.813372 S\n0.287577 0.189264 0.186628 S\n0.657297 0.076988 0.125908 S\n0.157297 0.923012 0.874092 S\n0.890996 0.243734 0.587494 Cl\n0.390996 0.756266 0.412506 Cl\n0.874890 0.367031 0.059486 Cl\n0.374890 0.632969 0.940514 Cl\n0.722834 0.443558 0.474319 Cl\n0.222834 0.556442 0.525681 Cl\n0.553265 0.633423 0.347135 Cl\n0.053265 0.366577 0.652865 Cl\n0.570114 0.527610 0.874168 Cl\n0.070114 0.472390 0.125832 Cl\n0.823312 0.936142 0.934662 O\n0.323312 0.063858 0.065338 O\n0.754165 0.965124 0.684195 O\n0.254165 0.034876 0.315805 O\n0.831959 0.682949 0.712874 O\n0.331959 0.317051 0.287126 O\n0.745377 0.655768 0.914240 O\n0.245377 0.344232 0.085760 O\n0.699879 0.232453 0.026503 O\n0.199879 0.767547 0.973497 O\n0.611567 0.205202 0.220821 O\n0.111567 0.794798 0.779179 O\n0.623941 0.947444 0.002458 O\n0.123941 0.052556 0.997542 O\n0.689902 0.925319 0.259181 O\n0.189902 0.074681 0.740819 O\n0.972174 0.877667 0.314647 O\n0.472174 0.122333 0.685353 O\n0.974831 0.997336 0.173029 O\n0.474831 0.002664 0.826971 O\n",
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"density": 3.4604082457573835,
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"volume": 1032.4390001151362,
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"formula_full": "Rb6 Bi4 S4 Cl10 O20",
"formula_reduced": "Rb3Bi2S2(ClO2)5",
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]
}