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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10242",
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"results": [
{
"id": "mp-1214256",
"created_at": "2022-09-04T14:43:37.959025Z",
"structure_string": "Ca4 Mn2 As4 H4 O16\n1.0\n-5.883166 0.000000 1.553688\n0.650604 0.000000 -5.600967\n0.000000 -12.559177 0.000000\nCa Mn As H O\n4 2 4 4 16\ndirect\n0.437656 0.743766 0.874388 Ca\n0.562344 0.256234 0.125612 Ca\n0.562344 0.756234 0.374388 Ca\n0.437656 0.243766 0.625612 Ca\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.789929 0.933428 0.626961 As\n0.210071 0.066572 0.373039 As\n0.210071 0.566572 0.126961 As\n0.789929 0.433428 0.873039 As\n0.867014 0.455737 0.372829 H\n0.132986 0.544263 0.627171 H\n0.132986 0.044263 0.872829 H\n0.867014 0.955737 0.127171 H\n0.764751 0.666144 0.962691 O\n0.235249 0.333856 0.037309 O\n0.235249 0.833856 0.462691 O\n0.764751 0.166144 0.537309 O\n0.715221 0.658916 0.549820 O\n0.284779 0.341084 0.450180 O\n0.284779 0.841084 0.049820 O\n0.715221 0.158916 0.950180 O\n0.062633 0.514528 0.819692 O\n0.937367 0.485472 0.180308 O\n0.937367 0.985472 0.319692 O\n0.062633 0.014528 0.680308 O\n0.564861 0.922168 0.710723 O\n0.435139 0.077832 0.289277 O\n0.435139 0.577832 0.210723 O\n0.564861 0.422168 0.789277 O\n",
"nsites": 30,
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"elements": [
"Ca",
"Mn",
"As",
"H",
"O"
],
"chemical_system": "As-Ca-H-Mn-O",
"density": 3.435334959874658,
"density_atomic": 0.07478547127499612,
"volume": 401.14743530445924,
"volume_molar": 8.052554403054824,
"formula_full": "Ca4 Mn2 As4 H4 O16",
"formula_reduced": "Ca2MnAs2(HO4)2",
"formula_anonymous": "AB2C2D2E8",
"energy": -193.78533293,
"energy_per_atom": -6.459511097666667,
"energy_above_hull": null,
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"energy_uncorrected": -178.74133293,
"band_gap": 0.1769,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.430000Z",
"spacegroup": 14
},
{
"id": "mp-756274",
"created_at": "2022-09-04T14:45:28.980213Z",
"structure_string": "Na6 Fe2 B2 P2 O14\n1.0\n6.695724 0.000000 0.000000\n0.000000 5.244721 0.000000\n0.000000 0.147032 8.941848\nNa Fe B P O\n6 2 2 2 14\ndirect\n0.750000 0.243184 0.924531 Na\n0.998119 0.749917 0.747812 Na\n0.501881 0.749917 0.747812 Na\n0.498119 0.250083 0.252188 Na\n0.001881 0.250083 0.252188 Na\n0.250000 0.756816 0.075469 Na\n0.250000 0.221733 0.661602 Fe\n0.750000 0.778267 0.338398 Fe\n0.250000 0.263404 0.934735 B\n0.750000 0.736596 0.065265 B\n0.750000 0.289070 0.577090 P\n0.250000 0.710930 0.422910 P\n0.750000 0.706077 0.916427 O\n0.250000 0.027028 0.862621 O\n0.250000 0.467480 0.829052 O\n0.935750 0.222675 0.674484 O\n0.564250 0.222675 0.674484 O\n0.750000 0.582493 0.538513 O\n0.250000 0.861507 0.570332 O\n0.750000 0.138493 0.429668 O\n0.250000 0.417507 0.461487 O\n0.435750 0.777325 0.325516 O\n0.064250 0.777325 0.325516 O\n0.750000 0.532520 0.170948 O\n0.750000 0.972972 0.137379 O\n0.250000 0.293923 0.083573 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Fe",
"B",
"P",
"O"
],
"chemical_system": "B-Fe-Na-O-P",
"density": 2.9464901324512733,
"density_atomic": 0.08279919814913993,
"volume": 314.0127027941523,
"volume_molar": 7.273187294824733,
"formula_full": "Na6 Fe2 B2 P2 O14",
"formula_reduced": "Na3FeBPO7",
"formula_anonymous": "ABCD3E7",
"energy": -181.27428036,
"energy_per_atom": -6.972087706153847,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -167.14428036,
"band_gap": 1.8914,
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"is_magnetic": true,
"total_magnetization": 10.0019335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.265000Z",
"spacegroup": 11
},
{
"id": "mp-867965",
"created_at": "2022-09-04T14:44:29.875684Z",
"structure_string": "Sm6 Mn2 Al2 S14\n1.0\n4.933086 -8.544355 0.000000\n4.933086 8.544355 0.000000\n0.000000 0.000000 6.144128\nSm Mn Al S\n6 2 2 14\ndirect\n0.149187 0.377631 0.237206 Sm\n0.850813 0.622369 0.737206 Sm\n0.622369 0.771557 0.237206 Sm\n0.228443 0.850813 0.237206 Sm\n0.771557 0.149187 0.737206 Sm\n0.377631 0.228443 0.737206 Sm\n0.000000 0.000000 0.029512 Mn\n0.000000 0.000000 0.529512 Mn\n0.333333 0.666667 0.659915 Al\n0.666667 0.333333 0.159915 Al\n0.333333 0.666667 0.024558 S\n0.666667 0.333333 0.524558 S\n0.098677 0.241592 0.804160 S\n0.901323 0.758408 0.304160 S\n0.758408 0.857086 0.804160 S\n0.142914 0.901323 0.804160 S\n0.857086 0.098677 0.304160 S\n0.241592 0.142914 0.304160 S\n0.425580 0.520662 0.508659 S\n0.574420 0.479338 0.008659 S\n0.479338 0.904917 0.508659 S\n0.095083 0.574420 0.508659 S\n0.904917 0.425580 0.008659 S\n0.520662 0.095083 0.008659 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Al",
"S"
],
"chemical_system": "Al-Mn-S-Sm",
"density": 4.856769246958516,
"density_atomic": 0.04633647802109241,
"volume": 517.9504577166002,
"volume_molar": 12.99654401281581,
"formula_full": "Sm6 Mn2 Al2 S14",
"formula_reduced": "Sm3MnAlS7",
"formula_anonymous": "ABC3D7",
"energy": -158.03102041,
"energy_per_atom": -6.584625850416667,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.98902041,
"band_gap": 0.4783999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0019403,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.348000Z",
"spacegroup": 173
},
{
"id": "mp-1181345",
"created_at": "2022-09-04T14:47:16.775577Z",
"structure_string": "Nd2 Te1 Mo6 O42\n1.0\n8.094440 -0.373679 -3.233861\n-3.701401 10.159310 -1.854707\n-0.236206 0.204782 11.112655\nNd Te Mo O\n2 1 6 42\ndirect\n0.052137 0.263243 0.754316 Nd\n0.947863 0.736757 0.245684 Nd\n0.500000 0.500000 0.500000 Te\n0.586513 0.221181 0.459035 Mo\n0.413487 0.778819 0.540965 Mo\n0.639502 0.417735 0.270409 Mo\n0.360498 0.582265 0.729591 Mo\n0.521100 0.680045 0.295226 Mo\n0.478900 0.319955 0.704774 Mo\n0.650839 0.426260 0.624767 O\n0.349161 0.573740 0.375233 O\n0.444058 0.338741 0.353619 O\n0.555942 0.661259 0.646381 O\n0.751285 0.342118 0.406780 O\n0.248715 0.657882 0.593220 O\n0.427424 0.186290 0.538618 O\n0.572576 0.813710 0.461382 O\n0.777319 0.195422 0.585744 O\n0.222681 0.804578 0.414256 O\n0.480453 0.081743 0.321586 O\n0.519547 0.918257 0.678414 O\n0.681563 0.587862 0.450095 O\n0.318437 0.412138 0.549905 O\n0.472865 0.506051 0.188462 O\n0.527135 0.493949 0.811538 O\n0.544879 0.285801 0.125944 O\n0.455121 0.714199 0.874056 O\n0.833201 0.534689 0.265937 O\n0.166799 0.465311 0.734063 O\n0.729930 0.768696 0.288100 O\n0.270070 0.231304 0.711900 O\n0.353562 0.712852 0.175865 O\n0.646438 0.287148 0.824135 O\n0.955148 0.938580 0.610732 O\n0.044852 0.061420 0.389268 O\n0.206854 0.095199 0.903773 O\n0.793146 0.904801 0.096227 O\n0.085609 0.462920 0.950244 O\n0.914391 0.537080 0.049756 O\n0.981260 0.142391 0.414762 O\n0.018740 0.857609 0.585238 O\n0.995216 0.524773 0.894593 O\n0.004784 0.475227 0.105407 O\n0.946342 0.198010 0.930269 O\n0.053658 0.801990 0.069731 O\n0.111229 0.167091 0.125854 O\n0.888771 0.832909 0.874146 O\n0.702497 0.967955 0.109509 O\n0.297503 0.032045 0.890491 O\n0.964704 0.175305 0.048046 O\n0.035296 0.824695 0.951954 O\n",
"nsites": 51,
"nelements": 4,
"elements": [
"Nd",
"Te",
"Mo",
"O"
],
"chemical_system": "Mo-Nd-O-Te",
"density": 3.0830642991886537,
"density_atomic": 0.05691529059234245,
"volume": 896.0685163726755,
"volume_molar": 10.580883796471795,
"formula_full": "Nd2 Te1 Mo6 O42",
"formula_reduced": "Nd2Te(MoO7)6",
"formula_anonymous": "AB2C6D42",
"energy": -334.49053655,
"energy_per_atom": -6.558637971568627,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -315.27853655,
"band_gap": 0.1159999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0019538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.244000Z",
"spacegroup": 2
},
{
"id": "mp-1279763",
"created_at": "2022-09-04T14:47:04.357984Z",
"structure_string": "Na8 Fe2 O10\n1.0\n3.759086 3.680432 2.322342\n3.736064 -3.657838 2.324763\n3.765106 3.681461 -6.971047\nNa Fe O\n8 2 10\ndirect\n0.494768 0.188995 0.900323 Na\n0.995357 0.202511 0.399739 Na\n0.482357 0.605690 0.694646 Na\n0.984259 0.594429 0.196057 Na\n0.506674 0.400130 0.304490 Na\n0.017765 0.393141 0.802534 Na\n0.495008 0.809689 0.105080 Na\n0.997747 0.814270 0.607366 Na\n0.513351 0.000051 0.490801 Fe\n0.973349 0.996785 0.028674 Fe\n0.314665 0.003348 0.692601 O\n0.725516 0.000498 0.277363 O\n0.181301 0.164410 0.120753 O\n0.687885 0.170204 0.617765 O\n0.203341 0.686843 0.969142 O\n0.717055 0.683047 0.458196 O\n0.789340 0.302659 0.035388 O\n0.292755 0.314902 0.527564 O\n0.811836 0.830272 0.887586 O\n0.315671 0.838125 0.383932 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 2.9590108313491115,
"density_atomic": 0.07822429976272728,
"volume": 255.675027589441,
"volume_molar": 7.698555024802486,
"formula_full": "Na8 Fe2 O10",
"formula_reduced": "Na4FeO5",
"formula_anonymous": "AB4C5",
"energy": -106.17866675,
"energy_per_atom": -5.3089333375,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -94.79666675,
"band_gap": 0.0128,
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"is_magnetic": true,
"total_magnetization": 10.0019562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.588000Z",
"spacegroup": 1
},
{
"id": "mp-1209364",
"created_at": "2022-09-04T14:43:40.923676Z",
"structure_string": "Rb6 Mn2 Br10\n1.0\n-4.719985 4.719985 7.710359\n4.719985 -4.719985 7.710359\n4.719985 4.719985 -7.710359\nRb Mn Br\n6 2 10\ndirect\n0.250000 0.250000 0.000000 Rb\n0.750000 0.750000 0.000000 Rb\n0.167127 0.667127 0.834253 Rb\n0.832873 0.332873 0.165747 Rb\n0.667127 0.832873 0.500000 Rb\n0.332873 0.167127 0.500000 Rb\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.797705 0.297705 0.792603 Br\n0.202295 0.702295 0.207397 Br\n0.505102 0.005102 0.207397 Br\n0.297705 0.505102 0.500000 Br\n0.994898 0.202295 0.500000 Br\n0.494898 0.994898 0.792603 Br\n0.702295 0.494898 0.500000 Br\n0.005102 0.797705 0.500000 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 3.4359609969207696,
"density_atomic": 0.02619730867360476,
"volume": 687.0934806420019,
"volume_molar": 22.98763142058039,
"formula_full": "Rb6 Mn2 Br10",
"formula_reduced": "Rb3MnBr5",
"formula_anonymous": "AB3C5",
"energy": -72.26274229,
"energy_per_atom": -4.014596793888889,
"energy_above_hull": null,
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"energy_uncorrected": -66.92274229,
"band_gap": 2.677,
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"is_magnetic": true,
"total_magnetization": 10.0019653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.760000Z",
"spacegroup": 140
},
{
"id": "mp-1049221",
"created_at": "2022-09-04T14:47:02.064702Z",
"structure_string": "La2 Zn2 Cr4 O12\n1.0\n5.333301 0.000000 0.000000\n0.000000 5.403826 0.000000\n0.000000 0.000000 7.795895\nLa Zn Cr O\n2 2 4 12\ndirect\n0.005064 0.713120 0.000000 La\n0.505064 0.286880 0.500000 La\n0.492004 0.222122 0.000000 Zn\n0.992004 0.777878 0.500000 Zn\n0.496688 0.754945 0.248600 Cr\n0.996688 0.245055 0.748600 Cr\n0.496688 0.754945 0.751400 Cr\n0.996688 0.245055 0.251400 Cr\n0.076892 0.195529 0.500000 O\n0.223390 0.964926 0.799745 O\n0.223390 0.964926 0.200255 O\n0.317814 0.449291 0.805717 O\n0.317814 0.449291 0.194283 O\n0.375076 0.728329 0.500000 O\n0.576892 0.804471 0.000000 O\n0.723390 0.035074 0.299745 O\n0.723390 0.035074 0.700255 O\n0.817814 0.550709 0.305717 O\n0.817814 0.550709 0.694283 O\n0.875076 0.271671 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Zn",
"Cr",
"O"
],
"chemical_system": "Cr-La-O-Zn",
"density": 5.9761666485568625,
"density_atomic": 0.08901569007443849,
"volume": 224.67949170843025,
"volume_molar": 6.765257624767099,
"formula_full": "La2 Zn2 Cr4 O12",
"formula_reduced": "LaZnCr2O6",
"formula_anonymous": "ABC2D6",
"energy": -159.43147526,
"energy_per_atom": -7.971573763,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -143.19147526,
"band_gap": 0.4091000000000004,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.450000Z",
"spacegroup": 31
},
{
"id": "mp-697984",
"created_at": "2022-09-04T14:43:01.664439Z",
"structure_string": "K4 Mn2 H8 S4 O20\n1.0\n6.615851 0.000000 0.000000\n2.570672 6.983985 0.000000\n3.016137 2.300115 10.154989\nK Mn H S O\n4 2 8 4 20\ndirect\n0.789171 0.749278 0.399956 K\n0.210829 0.250722 0.600044 K\n0.735432 0.265598 0.073822 K\n0.264568 0.734402 0.926178 K\n0.754243 0.972809 0.751223 Mn\n0.245757 0.027191 0.248777 Mn\n0.730870 0.340447 0.642668 H\n0.269130 0.659553 0.357332 H\n0.644433 0.319185 0.797693 H\n0.355567 0.680815 0.202307 H\n0.643167 0.677185 0.705045 H\n0.356833 0.322815 0.294955 H\n0.840892 0.577160 0.785565 H\n0.159108 0.422840 0.214435 H\n0.732201 0.772440 0.084637 S\n0.267799 0.227560 0.915363 S\n0.744469 0.224546 0.424823 S\n0.255531 0.775454 0.575177 S\n0.926344 0.632495 0.136852 O\n0.073656 0.367505 0.863148 O\n0.585218 0.668417 0.072434 O\n0.414782 0.331583 0.927566 O\n0.810218 0.893825 0.953023 O\n0.189782 0.106175 0.046977 O\n0.606483 0.910666 0.176060 O\n0.393517 0.089334 0.823940 O\n0.856857 0.341782 0.456250 O\n0.143143 0.658218 0.543750 O\n0.538048 0.350813 0.379287 O\n0.461952 0.649187 0.620713 O\n0.690322 0.071050 0.545124 O\n0.309678 0.928950 0.454876 O\n0.890989 0.120038 0.317627 O\n0.109011 0.879962 0.682373 O\n0.772386 0.271597 0.728946 O\n0.227614 0.728403 0.271054 O\n0.709039 0.688228 0.773612 O\n0.290961 0.311772 0.226388 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-K-Mn-O-S",
"density": 2.557213863240727,
"density_atomic": 0.08098696532514822,
"volume": 469.2113088499708,
"volume_molar": 7.435938284416731,
"formula_full": "K4 Mn2 H8 S4 O20",
"formula_reduced": "K2MnH4(SO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -237.34627305,
"energy_per_atom": -6.245954553947368,
"energy_above_hull": null,
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"energy_uncorrected": -220.27027305,
"band_gap": 4.2109,
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"updated_at": "2021-11-28T01:36:00.936000Z",
"spacegroup": 2
},
{
"id": "mp-504891",
"created_at": "2022-09-04T14:44:31.249688Z",
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{
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"structure_string": "Li6 Fe2 B2 As2 O14\n1.0\n6.598418 0.000000 0.000000\n0.000000 5.094512 0.000000\n0.000000 0.571150 8.557775\nLi Fe B As O\n6 2 2 2 14\ndirect\n0.750000 0.262192 0.915073 Li\n0.013830 0.763324 0.778596 Li\n0.486170 0.763324 0.778596 Li\n0.513830 0.236676 0.221404 Li\n0.986170 0.236676 0.221404 Li\n0.250000 0.737808 0.084927 Li\n0.250000 0.219417 0.680981 Fe\n0.750000 0.780583 0.319019 Fe\n0.250000 0.276909 0.964119 B\n0.750000 0.723091 0.035881 B\n0.750000 0.277485 0.578813 As\n0.250000 0.722515 0.421187 As\n0.750000 0.660865 0.884402 O\n0.250000 0.022126 0.910052 O\n0.250000 0.479508 0.842428 O\n0.946549 0.182208 0.701432 O\n0.553451 0.182208 0.701432 O\n0.750000 0.613413 0.538215 O\n0.250000 0.851320 0.600898 O\n0.750000 0.148680 0.399102 O\n0.250000 0.386587 0.461785 O\n0.446549 0.817792 0.298568 O\n0.053451 0.817792 0.298568 O\n0.750000 0.520492 0.157572 O\n0.750000 0.977874 0.089948 O\n0.250000 0.339135 0.115598 O\n",
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"formula_full": "Li6 Fe2 B2 As2 O14",
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{
"id": "mp-1311728",
"created_at": "2022-09-04T14:41:24.432381Z",
"structure_string": "Li8 Ni6 Sb2 O16\n1.0\n0.010857 -3.119944 5.116852\n8.643437 2.587471 5.100476\n-1.706495 2.616423 5.119198\nLi Ni Sb O\n8 6 2 16\ndirect\n0.250187 0.249474 0.252718 Li\n0.749148 0.750537 0.747446 Li\n0.745629 0.243940 0.745894 Li\n0.254275 0.756055 0.254124 Li\n0.751673 0.750178 0.250012 Li\n0.248020 0.249913 0.749948 Li\n0.247738 0.745726 0.761299 Li\n0.752039 0.254255 0.238747 Li\n0.499864 0.000007 0.500201 Ni\n0.000249 0.499935 0.999798 Ni\n0.500285 0.499931 0.999848 Ni\n0.999865 0.000023 0.500263 Ni\n0.499814 0.000060 0.000286 Ni\n0.000228 0.500044 0.499683 Ni\n0.500180 0.500015 0.499781 Sb\n0.000006 0.999993 0.000240 Sb\n0.374580 0.892286 0.355166 O\n0.872839 0.392902 0.875234 O\n0.127702 0.607014 0.124254 O\n0.625146 0.107715 0.645283 O\n0.876245 0.883171 0.880324 O\n0.380066 0.382618 0.379252 O\n0.620345 0.617383 0.620334 O\n0.123486 0.116839 0.120048 O\n0.859609 0.381975 0.378870 O\n0.359430 0.882181 0.880928 O\n0.377389 0.383170 0.860410 O\n0.880732 0.882449 0.358412 O\n0.640354 0.117861 0.119441 O\n0.140748 0.617991 0.620728 O\n0.119055 0.117565 0.641933 O\n0.623070 0.616798 0.139091 O\n",
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"formula_full": "Li8 Ni6 Sb2 O16",
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{
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"structure_string": "Fe2 H2 O4\n1.0\n1.316539 -7.570555 0.000000\n1.316539 7.570555 0.000000\n0.000000 0.000000 4.048552\nFe H O\n2 2 4\ndirect\n0.312021 0.687979 0.750000 Fe\n0.687979 0.312021 0.250000 Fe\n0.443325 0.556675 0.750000 H\n0.556675 0.443325 0.250000 H\n0.286316 0.713684 0.250000 O\n0.713684 0.286316 0.750000 O\n0.082760 0.917240 0.250000 O\n0.917240 0.082760 0.750000 O\n",
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"formula_full": "Fe2 H2 O4",
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]
}