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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10134",
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"results": [
{
"id": "mp-1176249",
"created_at": "2022-09-04T14:46:24.123712Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.939607 0.000000 0.000000\n0.169872 9.804763 0.000000\n0.076199 2.074559 10.025930\nLi Mn Co O\n9 2 5 16\ndirect\n0.988123 0.740287 0.878288 Li\n0.485385 0.491215 0.500257 Li\n0.008344 0.257507 0.114400 Li\n0.514704 0.014100 0.752181 Li\n0.496870 0.494219 0.998640 Li\n0.001447 0.251505 0.634835 Li\n0.502889 0.003886 0.248509 Li\n0.999126 0.750754 0.372175 Li\n0.496873 0.245683 0.870862 Li\n0.014831 0.004472 0.996661 Mn\n0.500432 0.747740 0.627582 Mn\n0.989345 0.502392 0.249747 Co\n0.001847 0.004729 0.496536 Co\n0.499764 0.751167 0.128943 Co\n0.995444 0.480537 0.764423 Co\n0.499101 0.250806 0.368775 Co\n0.520109 0.880616 0.955391 O\n0.006319 0.640890 0.573329 O\n0.493800 0.375455 0.195404 O\n0.007271 0.108951 0.825922 O\n0.949821 0.629208 0.074434 O\n0.497766 0.386822 0.688575 O\n0.005999 0.128535 0.315629 O\n0.501195 0.874776 0.452290 O\n0.497808 0.627543 0.798416 O\n0.992995 0.378082 0.423692 O\n0.507714 0.107492 0.053850 O\n0.993641 0.859962 0.679461 O\n0.999562 0.383715 0.931465 O\n0.504584 0.126266 0.550931 O\n0.041706 0.873386 0.176575 O\n0.485183 0.627302 0.301827 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1546766902806995,
"density_atomic": 0.11073857660770385,
"volume": 288.9688578295653,
"volume_molar": 5.43815980345647,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.63305833,
"energy_per_atom": -6.5197830728125,
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"energy_uncorrected": -186.11505833,
"band_gap": 0.2692000000000001,
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"is_magnetic": true,
"total_magnetization": 9.9994148,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.276000Z",
"spacegroup": 1
},
{
"id": "mp-755306",
"created_at": "2022-09-04T14:46:56.874472Z",
"structure_string": "Li10 Ni6 Sn4 O20\n1.0\n-1.112956 5.107486 -0.149285\n-6.850533 -2.850418 7.270444\n2.452506 2.538549 7.307968\nLi Ni Sn O\n10 6 4 20\ndirect\n0.999928 0.000045 0.500026 Li\n0.499927 0.500042 0.999992 Li\n0.599075 0.088219 0.312846 Li\n0.099003 0.588195 0.812908 Li\n0.400983 0.911901 0.687023 Li\n0.900940 0.411880 0.187061 Li\n0.690533 0.189687 0.606709 Li\n0.190575 0.689691 0.106677 Li\n0.309432 0.810400 0.393300 Li\n0.809465 0.310405 0.893263 Li\n0.000446 0.500035 0.500102 Ni\n0.096247 0.099743 0.800158 Ni\n0.903372 0.899776 0.200185 Ni\n0.500082 0.000011 0.999962 Ni\n0.596352 0.599907 0.300031 Ni\n0.403789 0.400086 0.699762 Ni\n0.306220 0.297138 0.401781 Sn\n0.806226 0.797151 0.901800 Sn\n0.693687 0.702759 0.598233 Sn\n0.193710 0.202776 0.098192 Sn\n0.637746 0.402442 0.454130 O\n0.137664 0.902422 0.954275 O\n0.362363 0.597568 0.545738 O\n0.862313 0.097527 0.045882 O\n0.061219 0.305529 0.640991 O\n0.561186 0.805522 0.141014 O\n0.938842 0.694447 0.359050 O\n0.438842 0.194434 0.859050 O\n0.968231 0.202128 0.343440 O\n0.468240 0.702127 0.843445 O\n0.031700 0.797929 0.656481 O\n0.531730 0.297921 0.156482 O\n0.259794 0.002102 0.225655 O\n0.759846 0.502087 0.725589 O\n0.740152 0.997951 0.774475 O\n0.240218 0.497939 0.274408 O\n0.337167 0.102961 0.560457 O\n0.837250 0.602989 0.060352 O\n0.662696 0.897052 0.439608 O\n0.162810 0.397079 0.939469 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 5.152136600078587,
"density_atomic": 0.10202871635195611,
"volume": 392.04648877495276,
"volume_molar": 5.902397849666313,
"formula_full": "Li10 Ni6 Sn4 O20",
"formula_reduced": "Li5Ni3(SnO5)2",
"formula_anonymous": "A2B3C5D10",
"energy": -243.40811351,
"energy_per_atom": -6.08520283775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -214.42211351,
"band_gap": 0.0662000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.055000Z",
"spacegroup": 2
},
{
"id": "mp-1177522",
"created_at": "2022-09-04T14:42:13.075555Z",
"structure_string": "Li6 V4 C8 O24\n1.0\n9.733085 0.000000 0.000000\n0.000000 6.225731 0.000000\n0.000000 0.287385 7.824241\nLi V C O\n6 4 8 24\ndirect\n0.490134 0.403951 0.742844 Li\n0.507278 0.669230 0.014065 Li\n0.007278 0.330770 0.985935 Li\n0.990134 0.596049 0.257156 Li\n0.490087 0.406592 0.366702 Li\n0.990087 0.593408 0.633298 Li\n0.281980 0.069840 0.949991 V\n0.781980 0.930160 0.050009 V\n0.797319 0.965492 0.475689 V\n0.297319 0.034508 0.524311 V\n0.031631 0.100997 0.708757 C\n0.531631 0.899003 0.291243 C\n0.559392 0.983983 0.756307 C\n0.749342 0.434199 0.005351 C\n0.249342 0.565801 0.994649 C\n0.059392 0.016017 0.243693 C\n0.248933 0.547463 0.501559 C\n0.748933 0.452537 0.498441 C\n0.940821 0.956164 0.668885 O\n0.433567 0.065753 0.736991 O\n0.002898 0.293028 0.740051 O\n0.160419 0.030171 0.725001 O\n0.597170 0.927774 0.907791 O\n0.627049 0.446983 0.945761 O\n0.318171 0.398154 0.942542 O\n0.316599 0.745055 0.981154 O\n0.816599 0.254945 0.018846 O\n0.818171 0.601846 0.057458 O\n0.127049 0.553017 0.054239 O\n0.097170 0.072226 0.092209 O\n0.660419 0.969829 0.274999 O\n0.933567 0.934247 0.263009 O\n0.440821 0.043836 0.331115 O\n0.502898 0.706972 0.259949 O\n0.132878 0.032216 0.376091 O\n0.123771 0.555116 0.454652 O\n0.820248 0.633975 0.495406 O\n0.816953 0.287383 0.447144 O\n0.316953 0.712617 0.552856 O\n0.320248 0.366025 0.504594 O\n0.623771 0.444884 0.545348 O\n0.632878 0.967784 0.623909 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.5409339174996215,
"density_atomic": 0.08858622669274985,
"volume": 474.1143354674277,
"volume_molar": 6.798055391711213,
"formula_full": "Li6 V4 C8 O24",
"formula_reduced": "Li3V2(CO3)4",
"formula_anonymous": "A2B3C4D12",
"energy": -327.50031359,
"energy_per_atom": -7.79762651404762,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -304.21231359,
"band_gap": 0.4142000000000001,
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"is_magnetic": true,
"total_magnetization": 9.9994165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.124000Z",
"spacegroup": 4
},
{
"id": "mp-763440",
"created_at": "2022-09-04T14:42:22.778561Z",
"structure_string": "Li16 Mn2 O8 F4\n1.0\n5.567495 0.000000 0.000000\n2.779079 4.832040 0.000000\n2.652797 1.582686 10.650360\nLi Mn O F\n16 2 8 4\ndirect\n0.223500 0.888189 0.323480 Li\n0.428409 0.794037 0.686246 Li\n0.587883 0.932974 0.185424 Li\n0.582439 0.727785 0.991745 Li\n0.763042 0.813128 0.512941 Li\n0.689106 0.409333 0.818789 Li\n0.910390 0.574043 0.329424 Li\n0.053638 0.723994 0.830300 Li\n0.946362 0.276006 0.169700 Li\n0.089610 0.425957 0.670576 Li\n0.310894 0.590667 0.181211 Li\n0.417561 0.272215 0.008255 Li\n0.236958 0.186872 0.487059 Li\n0.412117 0.067026 0.814576 Li\n0.571591 0.205963 0.313754 Li\n0.776500 0.111811 0.676520 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.286350 0.960206 0.119054 O\n0.358358 0.731686 0.875943 O\n0.540052 0.866609 0.380102 O\n0.763728 0.470619 0.623477 O\n0.236272 0.529381 0.376523 O\n0.459948 0.133391 0.619898 O\n0.641642 0.268314 0.124057 O\n0.713650 0.039794 0.880946 O\n0.960401 0.617189 0.144575 F\n0.112483 0.778748 0.642572 F\n0.887517 0.221252 0.357428 F\n0.039599 0.382811 0.855425 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.462649182334559,
"density_atomic": 0.10470480453598453,
"volume": 286.51980329794435,
"volume_molar": 5.751541953292444,
"formula_full": "Li16 Mn2 O8 F4",
"formula_reduced": "Li8Mn(O2F)2",
"formula_anonymous": "AB2C4D8",
"energy": -164.52910523,
"energy_per_atom": -5.484303507666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -153.84910523,
"band_gap": 2.6852,
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"total_magnetization": 9.9994166,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.750000Z",
"spacegroup": 2
},
{
"id": "mp-573947",
"created_at": "2022-09-04T14:48:30.099263Z",
"structure_string": "Cs4 Mn2 Se4\n1.0\n-3.420693 3.819557 7.234730\n3.420693 -3.819557 7.234730\n3.420693 3.819557 -7.234730\nCs Mn Se\n4 2 4\ndirect\n0.516390 0.852602 0.663788 Cs\n0.483610 0.147398 0.336212 Cs\n0.811185 0.647398 0.163788 Cs\n0.188815 0.352602 0.836212 Cs\n0.000000 0.250000 0.250000 Mn\n0.000000 0.750000 0.750000 Mn\n0.080782 0.903854 0.176928 Se\n0.726926 0.403854 0.323072 Se\n0.919218 0.096146 0.823072 Se\n0.273075 0.596146 0.676928 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Mn",
"Se"
],
"chemical_system": "Cs-Mn-Se",
"density": 4.204408789000355,
"density_atomic": 0.026447862987735098,
"volume": 378.10238220900453,
"volume_molar": 22.76985767353945,
"formula_full": "Cs4 Mn2 Se4",
"formula_reduced": "Cs2MnSe2",
"formula_anonymous": "AB2C2",
"energy": -47.11528741000001,
"energy_per_atom": -4.711528741,
"energy_above_hull": null,
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"energy_uncorrected": -45.22728741,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:39:46.817000Z",
"spacegroup": 72
},
{
"id": "mp-1218612",
"created_at": "2022-09-04T14:42:29.447355Z",
"structure_string": "Sr6 Co4 W2 O18\n1.0\n-2.792326 3.974928 8.394092\n2.792326 -3.974928 8.394092\n2.792326 3.974928 -8.394092\nSr Co W O\n6 4 2 18\ndirect\n0.235009 0.500000 0.735009 Sr\n0.919516 0.160307 0.759209 Sr\n0.598902 0.839693 0.759209 Sr\n0.764991 0.500000 0.264991 Sr\n0.401098 0.160307 0.240791 Sr\n0.080484 0.839693 0.240791 Sr\n0.500000 0.000000 0.500000 Co\n0.161604 0.661604 0.500000 Co\n0.838396 0.338396 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.667952 0.667952 0.000000 W\n0.332048 0.332048 0.000000 W\n0.264334 0.000000 0.264334 O\n0.908440 0.665224 0.243216 O\n0.577992 0.334776 0.243216 O\n0.586273 0.339348 0.753075 O\n0.250014 0.004761 0.754747 O\n0.919936 0.676816 0.756880 O\n0.413727 0.166802 0.753075 O\n0.080064 0.836944 0.756880 O\n0.749986 0.504733 0.754747 O\n0.735666 0.000000 0.735666 O\n0.422008 0.665224 0.756784 O\n0.091560 0.334776 0.756784 O\n0.413727 0.660652 0.246925 O\n0.080064 0.323184 0.243120 O\n0.749986 0.995239 0.245253 O\n0.586273 0.833198 0.246925 O\n0.250014 0.495267 0.245253 O\n0.919936 0.163056 0.243120 O\n",
"nsites": 30,
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"elements": [
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"Co",
"W",
"O"
],
"chemical_system": "Co-O-Sr-W",
"density": 6.314329324824422,
"density_atomic": 0.0804993089138932,
"volume": 372.6740068301675,
"volume_molar": 7.480984422414902,
"formula_full": "Sr6 Co4 W2 O18",
"formula_reduced": "Sr3Co2WO9",
"formula_anonymous": "AB2C3D9",
"energy": -224.39879149,
"energy_per_atom": -7.479959716333334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -196.60479149,
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"updated_at": "2021-11-28T01:35:49.284000Z",
"spacegroup": 71
},
{
"id": "mp-756984",
"created_at": "2022-09-04T14:45:04.727543Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n5.661881 0.000000 0.000000\n0.000000 5.054643 0.000000\n0.000000 4.982922 6.098603\nLi Fe Si O\n2 2 2 8\ndirect\n0.162607 0.760547 0.250182 Li\n0.837393 0.760547 0.750182 Li\n0.660743 0.008684 0.001708 Fe\n0.339257 0.008684 0.501708 Fe\n0.665085 0.507585 0.498623 Si\n0.334915 0.507585 0.998623 Si\n0.398876 0.661509 0.477851 O\n0.790707 0.394735 0.725742 O\n0.821091 0.795901 0.276260 O\n0.363750 0.163231 0.019008 O\n0.601124 0.661509 0.977851 O\n0.178909 0.795901 0.776260 O\n0.209293 0.394735 0.225742 O\n0.636250 0.163231 0.519008 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.946878836016102,
"density_atomic": 0.08021331183238437,
"volume": 174.53462125157893,
"volume_molar": 7.507657547644969,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -105.86756085,
"energy_per_atom": -7.561968632142857,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -95.85956085,
"band_gap": 2.4521,
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"updated_at": "2021-11-28T01:36:48.530000Z",
"spacegroup": 7
},
{
"id": "mp-694885",
"created_at": "2022-09-04T14:40:17.379072Z",
"structure_string": "Ca2 La2 Mn2 Nb2 O12\n1.0\n6.315592 0.000000 0.000000\n0.000000 6.032959 0.000000\n0.000000 6.031261 7.447610\nCa La Mn Nb O\n2 2 2 2 12\ndirect\n0.843023 0.191452 0.297764 Ca\n0.156977 0.191452 0.797764 Ca\n0.145157 0.685174 0.298449 La\n0.854843 0.685174 0.798449 La\n0.683561 0.441167 0.547364 Mn\n0.316439 0.441167 0.047364 Mn\n0.300470 0.990494 0.550493 Nb\n0.699530 0.990494 0.050493 Nb\n0.927989 0.205370 0.540153 O\n0.429237 0.857437 0.052900 O\n0.379065 0.324776 0.546133 O\n0.895567 0.717824 0.065532 O\n0.221726 0.283152 0.298758 O\n0.221459 0.803154 0.802453 O\n0.072011 0.205370 0.040153 O\n0.570763 0.857437 0.552900 O\n0.620935 0.324776 0.046133 O\n0.104433 0.717824 0.565532 O\n0.778274 0.283152 0.798758 O\n0.778541 0.803154 0.302453 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Mn",
"Nb",
"O"
],
"chemical_system": "Ca-La-Mn-Nb-O",
"density": 4.948546554628487,
"density_atomic": 0.07048044370223407,
"volume": 283.7666585144674,
"volume_molar": 8.544413802844876,
"formula_full": "Ca2 La2 Mn2 Nb2 O12",
"formula_reduced": "CaLaMnNbO6",
"formula_anonymous": "ABCDE6",
"energy": -175.04410747000003,
"energy_per_atom": -8.7522053735,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:59.436000Z",
"spacegroup": 7
},
{
"id": "mp-1101560",
"created_at": "2022-09-04T14:42:17.377128Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n4.958713 0.008467 0.032381\n2.462118 7.252048 -4.473256\n0.058149 -0.262053 8.687128\nLi Fe P O\n2 2 4 14\ndirect\n0.973263 0.426460 0.305977 Li\n0.600803 0.430345 0.806719 Li\n0.857641 0.992255 0.550291 Fe\n0.122637 0.995092 0.040478 Fe\n0.447729 0.796521 0.629666 P\n0.557347 0.204314 0.351911 P\n0.753575 0.799277 0.129462 P\n0.234827 0.207023 0.853498 P\n0.510551 0.004282 0.707638 O\n0.987787 0.192904 0.745473 O\n0.833632 0.811011 0.304957 O\n0.994757 0.808975 0.023923 O\n0.722105 0.646897 0.516304 O\n0.643860 0.196405 0.518916 O\n0.488315 0.006053 0.210593 O\n0.299850 0.363995 0.399125 O\n0.826047 0.190583 0.242215 O\n0.165363 0.193607 0.019831 O\n0.198959 0.809722 0.529949 O\n0.353367 0.811524 0.808446 O\n0.341670 0.363282 0.901541 O\n0.636986 0.647318 0.013850 O\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n6.481857 0.000000 0.000000\n2.007741 6.167325 0.000000\n1.674113 2.837622 7.102065\nLi Mn Co O\n9 2 5 16\ndirect\n0.943259 0.556648 0.307834 Li\n0.445359 0.055917 0.812445 Li\n0.060207 0.440457 0.687621 Li\n0.558020 0.936404 0.185192 Li\n0.192423 0.324140 0.062869 Li\n0.677936 0.812347 0.568739 Li\n0.323476 0.196514 0.422030 Li\n0.800157 0.680389 0.951319 Li\n0.377234 0.619189 0.126125 Li\n0.998684 0.996680 0.000558 Mn\n0.130771 0.877717 0.370209 Mn\n0.504620 0.499489 0.491712 Co\n0.621238 0.375773 0.880926 Co\n0.251149 0.745943 0.760553 Co\n0.747361 0.254204 0.246350 Co\n0.871999 0.126690 0.622713 Co\n0.085010 0.679288 0.022496 O\n0.605004 0.155021 0.538155 O\n0.219507 0.548236 0.417520 O\n0.727140 0.042580 0.908669 O\n0.354712 0.426471 0.782452 O\n0.864424 0.922906 0.262834 O\n0.490797 0.279922 0.157918 O\n0.987661 0.808373 0.632152 O\n0.775323 0.447576 0.595883 O\n0.254042 0.965904 0.108656 O\n0.899112 0.330419 0.960958 O\n0.390894 0.844988 0.462787 O\n0.022030 0.204595 0.342147 O\n0.526147 0.706164 0.835082 O\n0.137740 0.071405 0.741257 O\n0.656559 0.567650 0.233843 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"created_at": "2022-09-04T14:41:05.647544Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n3.816860 -0.001824 -0.000006\n-1.914993 13.070784 6.288513\n-1.907513 -1.866122 6.288327\nSr Y Co O\n4 4 4 16\ndirect\n0.646253 0.411604 0.880731 Sr\n0.648051 0.660367 0.633061 Sr\n0.645057 0.911885 0.379361 Sr\n0.644216 0.161956 0.127858 Sr\n0.354392 0.593684 0.124802 Y\n0.362751 0.842008 0.885972 Y\n0.361972 0.087231 0.627794 Y\n0.356468 0.339079 0.373486 Y\n0.998419 0.749204 0.251216 Co\n0.000165 0.001268 0.997913 Co\n0.996301 0.499065 0.493719 Co\n0.998267 0.249516 0.746007 Co\n0.837424 0.449702 0.220772 O\n0.838595 0.694313 0.977171 O\n0.832360 0.971703 0.697456 O\n0.833620 0.215031 0.452954 O\n0.184219 0.545540 0.824079 O\n0.186876 0.798808 0.576887 O\n0.181998 0.044227 0.316443 O\n0.181093 0.294324 0.066589 O\n0.483154 0.495267 0.470901 O\n0.485972 0.747799 0.226335 O\n0.485864 0.995784 0.975002 O\n0.482575 0.246686 0.717693 O\n0.999025 0.621815 0.376991 O\n0.978523 0.869913 0.088862 O\n0.995378 0.126993 0.863451 O\n0.001016 0.375229 0.626492 O\n",
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"formula_full": "Sr4 Y4 Co4 O16",
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"formula_anonymous": "ABCD4",
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}