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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10203",
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"results": [
{
"id": "mp-1272613",
"created_at": "2022-09-04T14:43:10.047995Z",
"structure_string": "Sr2 La2 V2 Fe2 O12\n1.0\n-3.971444 -0.000719 -3.925291\n0.000822 -7.835035 -0.002251\n-3.969225 0.001544 3.923112\nSr La V Fe O\n2 2 2 2 12\ndirect\n0.500015 0.247747 0.999941 Sr\n0.999977 0.752226 0.500039 Sr\n0.499977 0.756573 0.999998 La\n0.999988 0.243225 0.499953 La\n0.499949 0.000063 0.499867 V\n0.000003 0.500003 0.000022 V\n0.999970 0.999897 0.999943 Fe\n0.499989 0.499980 0.499983 Fe\n0.756949 0.500051 0.242601 O\n0.252119 0.999865 0.747963 O\n0.999991 0.747928 0.000059 O\n0.500121 0.243412 0.499836 O\n0.250388 0.500045 0.249960 O\n0.746624 0.999976 0.746633 O\n0.243059 0.500033 0.757419 O\n0.747981 0.000214 0.252123 O\n0.000028 0.252012 0.999973 O\n0.499920 0.756622 0.500249 O\n0.749621 0.500035 0.750057 O\n0.253330 0.000092 0.253382 O\n",
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"elements": [
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"chemical_system": "Fe-La-O-Sr-V",
"density": 5.839816351870166,
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"volume": 244.145800843573,
"volume_molar": 7.351401893214617,
"formula_full": "Sr2 La2 V2 Fe2 O12",
"formula_reduced": "SrLaVFeO6",
"formula_anonymous": "ABCDE6",
"energy": -164.64900265,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.735000Z",
"spacegroup": 115
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{
"id": "mp-1218148",
"created_at": "2022-09-04T14:42:12.082560Z",
"structure_string": "Sr2 La2 V2 Fe2 O12\n1.0\n-3.878411 -0.005273 -3.953947\n0.001363 -3.963926 -3.960598\n-3.896407 -7.928646 3.962947\nSr La V Fe O\n2 2 2 2 12\ndirect\n0.374554 0.250128 0.125284 Sr\n0.874397 0.250213 0.625235 Sr\n0.122356 0.751777 0.376698 La\n0.622506 0.749822 0.876782 La\n0.249187 0.499988 0.750664 V\n0.749034 0.500422 0.250485 V\n0.499808 0.000316 0.500120 Fe\n0.999798 0.000153 0.999760 Fe\n0.627639 0.250234 0.374356 O\n0.127093 0.250330 0.874093 O\n0.626449 0.748418 0.374147 O\n0.127383 0.747808 0.874326 O\n0.113776 0.256803 0.371873 O\n0.614141 0.257151 0.871799 O\n0.873356 0.748652 0.125060 O\n0.374014 0.749009 0.625739 O\n0.874605 0.250794 0.125885 O\n0.373657 0.252397 0.625341 O\n0.388268 0.742379 0.126146 O\n0.887979 0.743207 0.626207 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr-V",
"density": 5.849389727531232,
"density_atomic": 0.08205255423150595,
"volume": 243.7462207888288,
"volume_molar": 7.339370256541826,
"formula_full": "Sr2 La2 V2 Fe2 O12",
"formula_reduced": "SrLaVFeO6",
"formula_anonymous": "ABCDE6",
"energy": -164.73097803000002,
"energy_per_atom": -8.2365489015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -148.57497803,
"band_gap": 1.2001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.693000Z",
"spacegroup": 216
},
{
"id": "mp-1275262",
"created_at": "2022-09-04T14:42:05.175752Z",
"structure_string": "Sr2 La2 V2 Fe2 O12\n1.0\n-3.910888 0.005680 -3.918771\n0.011159 -3.942406 -3.924245\n-3.931634 -7.900385 3.951018\nSr La V Fe O\n2 2 2 2 12\ndirect\n0.375890 0.248444 0.126733 Sr\n0.873731 0.252081 0.624365 Sr\n0.117554 0.763646 0.372079 La\n0.628008 0.744856 0.878702 La\n0.249944 0.499885 0.749672 V\n0.749370 0.500872 0.250681 V\n0.999836 0.000430 0.997761 Fe\n0.499900 0.000185 0.502567 Fe\n0.631607 0.249927 0.373678 O\n0.126995 0.253900 0.872239 O\n0.624414 0.750752 0.373270 O\n0.128421 0.743292 0.873574 O\n0.117383 0.250439 0.373611 O\n0.619822 0.253638 0.872204 O\n0.871699 0.744911 0.124671 O\n0.372290 0.747027 0.627993 O\n0.877501 0.245760 0.127660 O\n0.370723 0.258308 0.625822 O\n0.384829 0.744558 0.124592 O\n0.880084 0.747091 0.628126 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr-V",
"density": 5.8591146335683755,
"density_atomic": 0.0821889707496691,
"volume": 243.34165299278337,
"volume_molar": 7.327188435468083,
"formula_full": "Sr2 La2 V2 Fe2 O12",
"formula_reduced": "SrLaVFeO6",
"formula_anonymous": "ABCDE6",
"energy": -164.63956852,
"energy_per_atom": -8.231978426000001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -148.48356852,
"band_gap": 0.8815,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.105000Z",
"spacegroup": 8
},
{
"id": "mp-1218139",
"created_at": "2022-09-04T14:46:13.829726Z",
"structure_string": "Sr2 La2 V2 O8\n1.0\n3.949383 -0.001340 0.000902\n-0.002457 7.845687 -0.006273\n-1.973365 -1.965790 6.338918\nSr La V O\n2 2 2 8\ndirect\n0.643466 0.321564 0.287092 Sr\n0.644656 0.821512 0.287721 Sr\n0.356587 0.678757 0.713407 La\n0.355522 0.178172 0.712399 La\n0.002813 0.001262 0.004771 V\n0.001897 0.501237 0.004759 V\n0.834260 0.416134 0.667658 O\n0.833915 0.917864 0.668186 O\n0.174080 0.587872 0.349298 O\n0.174361 0.086189 0.347242 O\n0.492800 0.496622 0.987299 O\n0.493628 0.996586 0.985509 O\n0.996622 0.747984 0.992472 O\n0.995392 0.248247 0.992188 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"La",
"V",
"O"
],
"chemical_system": "La-O-Sr-V",
"density": 5.77465792205933,
"density_atomic": 0.07129015464666134,
"volume": 196.38055309865493,
"volume_molar": 8.447366666333957,
"formula_full": "Sr2 La2 V2 O8",
"formula_reduced": "SrLaVO4",
"formula_anonymous": "ABCD4",
"energy": -116.06118264,
"energy_per_atom": -8.290084474285715,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -107.16518264,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.041215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.484000Z",
"spacegroup": 107
},
{
"id": "mp-1218174",
"created_at": "2022-09-04T14:48:12.897749Z",
"structure_string": "Sr4 La4 V4 O16\n1.0\n-3.903530 3.903714 0.001576\n-3.927724 -3.927909 0.001894\n-0.005585 -0.000499 12.780644\nSr La V O\n4 4 4 16\ndirect\n0.000143 0.500359 0.146211 Sr\n0.500016 0.499977 0.646106 Sr\n0.999854 0.999830 0.353902 Sr\n0.499967 0.000096 0.853758 Sr\n0.500054 0.999677 0.142074 La\n0.000295 0.000348 0.641923 La\n0.499977 0.500124 0.358138 La\n0.999722 0.499285 0.857910 La\n0.499998 0.500358 0.999119 V\n0.499981 0.999845 0.500818 V\n0.999911 0.499878 0.499189 V\n0.000088 0.000248 0.000923 V\n0.499998 0.000020 0.323629 O\n0.999993 0.999912 0.823529 O\n0.500002 0.499988 0.176512 O\n0.000005 0.500039 0.676351 O\n0.999990 0.499968 0.335092 O\n0.499934 0.499981 0.834990 O\n0.000019 0.000102 0.164948 O\n0.500070 0.000010 0.664909 O\n0.249704 0.750002 0.999861 O\n0.750065 0.750088 0.500077 O\n0.749855 0.249880 0.000110 O\n0.250123 0.250020 0.499935 O\n0.250191 0.249975 0.000079 O\n0.749841 0.249939 0.499978 O\n0.750295 0.750012 0.999903 O\n0.249911 0.750039 0.500028 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"V",
"O"
],
"chemical_system": "La-O-Sr-V",
"density": 5.78699545797807,
"density_atomic": 0.07144246580612343,
"volume": 391.92376248581394,
"volume_molar": 8.429357374565638,
"formula_full": "Sr4 La4 V4 O16",
"formula_reduced": "SrLaVO4",
"formula_anonymous": "ABCD4",
"energy": -232.0205873,
"energy_per_atom": -8.286449546428571,
"energy_above_hull": null,
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"energy_uncorrected": -214.2285873,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.067000Z",
"spacegroup": 63
},
{
"id": "mp-1272417",
"created_at": "2022-09-04T14:40:36.113410Z",
"structure_string": "Sr4 La4 V4 O16\n1.0\n-3.923185 3.923326 -0.000018\n-5.975023 -2.051932 6.269323\n2.051776 5.975138 6.269199\nSr La V O\n4 4 4 16\ndirect\n0.356800 0.648884 0.637385 Sr\n0.856680 0.387684 0.899048 Sr\n0.356507 0.149020 0.137703 Sr\n0.856889 0.887411 0.398862 Sr\n0.142683 0.616883 0.097169 La\n0.643143 0.347166 0.366886 La\n0.142684 0.115891 0.597997 La\n0.643372 0.848002 0.865875 La\n0.497239 0.253011 0.752507 V\n0.997233 0.002512 0.002977 V\n0.497603 0.752759 0.252014 V\n0.997606 0.502017 0.502781 V\n0.165058 0.807294 0.861136 O\n0.666508 0.612458 0.055748 O\n0.165569 0.305712 0.362464 O\n0.666535 0.111211 0.557240 O\n0.326704 0.405645 0.940818 O\n0.827099 0.190690 0.155714 O\n0.326972 0.904822 0.441121 O\n0.827167 0.691109 0.654880 O\n0.740466 0.884558 0.134300 O\n0.269895 0.605082 0.355058 O\n0.740570 0.384342 0.634506 O\n0.268958 0.106000 0.855965 O\n0.240831 0.884255 0.134042 O\n0.769770 0.605207 0.355214 O\n0.240756 0.384094 0.634326 O\n0.768706 0.106281 0.856266 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "La-O-Sr-V",
"density": 5.743960652825237,
"density_atomic": 0.07091118621243273,
"volume": 394.86012709079193,
"volume_molar": 8.492511663757995,
"formula_full": "Sr4 La4 V4 O16",
"formula_reduced": "SrLaVO4",
"formula_anonymous": "ABCD4",
"energy": -232.52542151,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:05.453000Z",
"spacegroup": 39
},
{
"id": "mp-1095906",
"created_at": "2022-09-04T14:39:20.910511Z",
"structure_string": "Sr1 La1 Zn2\n1.0\n-5.783109 6.413229 8.189541\n5.783109 -6.413229 8.189541\n5.783109 6.413229 -8.189541\nSr La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.263199 0.000000 0.263199 Zn\n0.736801 0.000000 0.736801 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "La-Sr-Zn",
"density": 0.48840181507350566,
"density_atomic": 0.0032923220663061956,
"volume": 1214.9479666452498,
"volume_molar": 182.914691780337,
"formula_full": "Sr1 La1 Zn2",
"formula_reduced": "SrLaZn2",
"formula_anonymous": "ABC2",
"energy": -2.86907069,
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"energy_above_hull": null,
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"energy_uncorrected": -2.86907069,
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"updated_at": "2021-11-28T01:34:30.232000Z",
"spacegroup": 71
},
{
"id": "mp-1218204",
"created_at": "2022-09-04T14:41:28.197192Z",
"structure_string": "Sr2 La2 Zn2 Ru2 O12\n1.0\n5.695293 0.000000 0.000000\n0.000000 5.642754 0.000000\n0.000000 5.619535 7.958316\nSr La Zn Ru O\n2 2 2 2 12\ndirect\n0.217158 0.243982 0.250645 Sr\n0.782842 0.243982 0.750645 Sr\n0.291635 0.758200 0.751628 La\n0.708365 0.758200 0.251628 La\n0.755844 0.499658 0.001322 Zn\n0.244156 0.499658 0.501322 Zn\n0.751021 0.000258 0.499839 Ru\n0.248979 0.000258 0.999839 Ru\n0.763601 0.329398 0.258188 O\n0.236399 0.329398 0.758188 O\n0.727148 0.689584 0.741844 O\n0.272852 0.689584 0.241844 O\n0.951498 0.762033 0.455974 O\n0.048502 0.762033 0.955974 O\n0.537685 0.233669 0.538131 O\n0.462315 0.233669 0.038131 O\n0.035079 0.153515 0.543841 O\n0.964921 0.153515 0.043841 O\n0.478320 0.829702 0.458588 O\n0.521680 0.829702 0.958588 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.349804529264316,
"density_atomic": 0.07819907700149895,
"volume": 255.75749442179008,
"volume_molar": 7.701038159164674,
"formula_full": "Sr2 La2 Zn2 Ru2 O12",
"formula_reduced": "SrLaZnRuO6",
"formula_anonymous": "ABCDE6",
"energy": -144.12175272,
"energy_per_atom": -7.2060876359999995,
"energy_above_hull": null,
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"energy_uncorrected": -135.87775272,
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"updated_at": "2021-11-28T01:35:20.080000Z",
"spacegroup": 7
},
{
"id": "mp-631340",
"created_at": "2022-09-04T14:44:15.544280Z",
"structure_string": "Sr1 La1 Zr2\n1.0\n0.000000 3.922423 3.922423\n3.922423 0.000000 3.922423\n3.922423 3.922423 0.000000\nSr La Zr\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "La-Sr-Zr",
"density": 5.626663688122437,
"density_atomic": 0.03314108443343656,
"volume": 120.69611083590063,
"volume_molar": 18.171224215958873,
"formula_full": "Sr1 La1 Zr2",
"formula_reduced": "SrLaZr2",
"formula_anonymous": "ABC2",
"energy": -21.30278153,
"energy_per_atom": -5.3256953825,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:37.820000Z",
"spacegroup": 225
},
{
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"created_at": "2022-09-04T14:42:38.319032Z",
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"elements": [
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],
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"density_atomic": 0.08917968374258217,
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"volume_molar": 6.752816905454559,
"formula_full": "Sr2 Li4 Al8 P8 O40",
"formula_reduced": "SrLi2Al4(PO5)4",
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"updated_at": "2021-11-28T01:36:02.546000Z",
"spacegroup": 72
},
{
"id": "mp-1097486",
"created_at": "2022-09-04T14:43:03.625121Z",
"structure_string": "Sr1 Li2 Ca1\n1.0\n-6.509777 7.112595 9.203910\n6.509777 -7.112595 9.203910\n6.509777 7.112595 -9.203910\nSr Li Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.244126 0.000000 0.244126 Li\n0.755874 0.000000 0.755874 Li\n0.000000 0.000000 0.000000 Ca\n",
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"elements": [
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],
"chemical_system": "Ca-Li-Sr",
"density": 0.13791911418705752,
"density_atomic": 0.0023465696268286478,
"volume": 1704.6159441712102,
"volume_molar": 256.63592893848323,
"formula_full": "Sr1 Li2 Ca1",
"formula_reduced": "SrLi2Ca",
"formula_anonymous": "ABC2",
"energy": -2.67700221,
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"updated_at": "2021-11-28T01:36:07.907000Z",
"spacegroup": 71
},
{
"id": "mp-629430",
"created_at": "2022-09-04T14:41:32.556933Z",
"structure_string": "Sr8 Li16 Cr8 N24\n1.0\n7.362858 0.000000 0.000000\n0.000000 9.165502 0.000000\n0.000000 0.000000 10.556400\nSr Li Cr N\n8 16 8 24\ndirect\n0.914612 0.191926 0.081939 Sr\n0.085388 0.808074 0.918061 Sr\n0.585388 0.691926 0.918061 Sr\n0.414612 0.808074 0.418061 Sr\n0.914612 0.691926 0.418061 Sr\n0.414612 0.308074 0.081939 Sr\n0.085388 0.308074 0.581939 Sr\n0.585388 0.191926 0.581939 Sr\n0.288818 0.619912 0.683919 Li\n0.096132 0.381997 0.280182 Li\n0.596132 0.618003 0.219818 Li\n0.711182 0.380088 0.316081 Li\n0.403868 0.381997 0.780182 Li\n0.788818 0.380088 0.816081 Li\n0.211182 0.119912 0.316081 Li\n0.903868 0.118003 0.780182 Li\n0.903868 0.618003 0.719818 Li\n0.096132 0.881997 0.219818 Li\n0.403868 0.881997 0.719818 Li\n0.288818 0.119912 0.816081 Li\n0.788818 0.880088 0.683919 Li\n0.596132 0.118003 0.280182 Li\n0.211182 0.619912 0.183919 Li\n0.711182 0.880088 0.183919 Li\n0.606134 0.547683 0.582240 Cr\n0.106134 0.952317 0.582240 Cr\n0.893866 0.047683 0.417760 Cr\n0.393866 0.452317 0.417760 Cr\n0.106134 0.452317 0.917760 Cr\n0.606134 0.047683 0.917760 Cr\n0.893866 0.547683 0.082240 Cr\n0.393866 0.952317 0.082240 Cr\n0.601947 0.067914 0.096092 N\n0.922553 0.216609 0.344416 N\n0.794169 0.450904 0.625031 N\n0.101947 0.932086 0.403908 N\n0.577447 0.216609 0.844416 N\n0.398053 0.432086 0.596092 N\n0.705831 0.450904 0.125031 N\n0.922553 0.716609 0.155584 N\n0.294169 0.549096 0.874969 N\n0.205831 0.549096 0.374969 N\n0.077447 0.783391 0.655584 N\n0.422553 0.283391 0.344416 N\n0.101947 0.432086 0.096092 N\n0.577447 0.716609 0.655584 N\n0.422553 0.783391 0.155584 N\n0.205831 0.049096 0.125031 N\n0.077447 0.283391 0.844416 N\n0.601947 0.567914 0.403908 N\n0.794169 0.950904 0.874969 N\n0.294169 0.049096 0.625031 N\n0.398053 0.932086 0.903908 N\n0.898053 0.567914 0.903908 N\n0.898053 0.067914 0.596092 N\n0.705831 0.950904 0.374969 N\n",
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"formula_full": "Sr8 Li16 Cr8 N24",
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"updated_at": "2021-11-28T01:35:08.747000Z",
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}
]
}