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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10247",
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"results": [
{
"id": "mp-562612",
"created_at": "2022-09-04T14:46:09.849845Z",
"structure_string": "Mn2 Ni2 Bi4 O12\n1.0\n2.754427 4.807024 0.000000\n-2.754427 4.807024 0.000000\n0.000000 3.002412 9.192260\nMn Ni Bi O\n2 2 4 12\ndirect\n0.250419 0.253666 0.250856 Mn\n0.746334 0.749581 0.749144 Mn\n0.006095 0.993905 0.000000 Ni\n0.485672 0.514328 0.500000 Ni\n0.160920 0.109017 0.625717 Bi\n0.890983 0.839080 0.374283 Bi\n0.329303 0.404832 0.876618 Bi\n0.595168 0.670697 0.123382 Bi\n0.145021 0.039226 0.169219 O\n0.960774 0.854979 0.830781 O\n0.358189 0.468384 0.329688 O\n0.531616 0.641811 0.670312 O\n0.878019 0.441103 0.369509 O\n0.558897 0.121981 0.630491 O\n0.060699 0.626399 0.590685 O\n0.373601 0.939301 0.409315 O\n0.131898 0.569107 0.093599 O\n0.430893 0.868102 0.906401 O\n0.939258 0.376761 0.865932 O\n0.623239 0.060742 0.134068 O\n",
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"elements": [
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"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-Ni-O",
"density": 8.56237644588444,
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"volume": 243.42201475572077,
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"formula_full": "Mn2 Ni2 Bi4 O12",
"formula_reduced": "MnNi(BiO3)2",
"formula_anonymous": "ABC2D6",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:18.164000Z",
"spacegroup": 5
},
{
"id": "mp-765096",
"created_at": "2022-09-04T14:43:06.533411Z",
"structure_string": "Li6 Fe2 C6 O18\n1.0\n3.625186 -4.757053 0.000000\n3.625186 4.757053 0.000000\n0.000000 0.000000 10.002759\nLi Fe C O\n6 2 6 18\ndirect\n0.087280 0.087280 0.000000 Li\n0.350816 0.393866 0.250000 Li\n0.195505 0.751923 0.250000 Li\n0.087280 0.087280 0.500000 Li\n0.751923 0.195505 0.750000 Li\n0.393866 0.350816 0.750000 Li\n0.688308 0.152327 0.250000 Fe\n0.152327 0.688308 0.750000 Fe\n0.559943 0.153238 0.011258 C\n0.744457 0.735199 0.250000 C\n0.559943 0.153238 0.488742 C\n0.153238 0.559943 0.511258 C\n0.735199 0.744457 0.750000 C\n0.153238 0.559943 0.988742 C\n0.763921 0.136937 0.052300 O\n0.413314 0.154885 0.109513 O\n0.165257 0.509622 0.110441 O\n0.732627 0.517729 0.250000 O\n0.936431 0.900180 0.250000 O\n0.552624 0.801532 0.250000 O\n0.165257 0.509622 0.389559 O\n0.413314 0.154885 0.390487 O\n0.763921 0.136937 0.447700 O\n0.136937 0.763921 0.552300 O\n0.154885 0.413314 0.609513 O\n0.509622 0.165257 0.610441 O\n0.801532 0.552624 0.750000 O\n0.517729 0.732627 0.750000 O\n0.900180 0.936431 0.750000 O\n0.509622 0.165257 0.889559 O\n0.154885 0.413314 0.890487 O\n0.136937 0.763921 0.947700 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 2.47102938386484,
"density_atomic": 0.09275383887160994,
"volume": 344.99919776144753,
"volume_molar": 6.492605409395356,
"formula_full": "Li6 Fe2 C6 O18",
"formula_reduced": "Li3Fe(CO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -236.24001621,
"energy_per_atom": -7.3825005065625,
"energy_above_hull": null,
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"energy_uncorrected": -219.36201621,
"band_gap": 1.8912,
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"is_magnetic": true,
"total_magnetization": 10.0027953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.312000Z",
"spacegroup": 40
},
{
"id": "mp-1218114",
"created_at": "2022-09-04T14:39:30.383240Z",
"structure_string": "Sr2 Nd2 Ni2 Ru2 O12\n1.0\n5.536862 0.000000 0.000000\n0.000000 5.473125 0.000000\n0.000000 5.478557 8.062162\nSr Nd Ni Ru O\n2 2 2 2 12\ndirect\n0.218902 0.244466 0.249404 Sr\n0.781098 0.244466 0.749404 Sr\n0.298716 0.762333 0.751797 Nd\n0.701284 0.762333 0.251797 Nd\n0.757454 0.499773 0.000805 Ni\n0.242546 0.499773 0.500805 Ni\n0.754119 0.002953 0.499703 Ru\n0.245881 0.002953 0.999703 Ru\n0.956083 0.752519 0.453518 O\n0.043917 0.752519 0.953518 O\n0.528660 0.237913 0.540132 O\n0.471340 0.237913 0.040132 O\n0.045190 0.156272 0.545566 O\n0.954810 0.156272 0.045566 O\n0.471598 0.818946 0.458558 O\n0.528402 0.818946 0.958558 O\n0.762078 0.331702 0.257682 O\n0.237922 0.331702 0.757682 O\n0.728905 0.693123 0.742836 O\n0.271095 0.693123 0.242836 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Ni",
"Ru",
"O"
],
"chemical_system": "Nd-Ni-O-Ru-Sr",
"density": 6.628444426312027,
"density_atomic": 0.08186144542529289,
"volume": 244.31525605362157,
"volume_molar": 7.356504308851757,
"formula_full": "Sr2 Nd2 Ni2 Ru2 O12",
"formula_reduced": "SrNdNiRuO6",
"formula_anonymous": "ABCDE6",
"energy": -149.9968583,
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"energy_uncorrected": -136.6708583,
"band_gap": 0.0442999999999997,
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"updated_at": "2021-11-28T01:34:44.060000Z",
"spacegroup": 7
},
{
"id": "mp-1216668",
"created_at": "2022-09-04T14:46:56.033652Z",
"structure_string": "V6 Zn4 Fe2 O22\n1.0\n6.578762 0.000000 0.000000\n-1.362086 6.788443 0.000000\n-2.154857 -1.821119 9.682793\nV Zn Fe O\n6 4 2 22\ndirect\n0.326591 0.014320 0.210772 V\n0.673409 0.985680 0.789228 V\n0.304982 0.426675 0.882349 V\n0.695018 0.573325 0.117651 V\n0.748214 0.674302 0.471646 V\n0.251786 0.325698 0.528354 V\n0.175339 0.878009 0.836839 Zn\n0.824661 0.121991 0.163161 Zn\n0.782021 0.505974 0.779307 Zn\n0.217979 0.494026 0.220693 Zn\n0.691990 0.175821 0.504098 Fe\n0.308010 0.824179 0.495902 Fe\n0.844662 0.817272 0.776821 O\n0.155338 0.182728 0.223179 O\n0.716272 0.471531 0.560373 O\n0.283728 0.528469 0.439627 O\n0.636265 0.572026 0.301626 O\n0.363735 0.427974 0.698374 O\n0.625232 0.876526 0.512161 O\n0.374768 0.123474 0.487839 O\n0.110387 0.565045 0.844780 O\n0.889613 0.434955 0.155220 O\n0.989170 0.218034 0.504169 O\n0.010830 0.781966 0.495831 O\n0.190282 0.183465 0.853499 O\n0.809718 0.816535 0.146501 O\n0.303557 0.930674 0.043315 O\n0.696443 0.069326 0.956685 O\n0.617276 0.507075 0.924899 O\n0.382724 0.492925 0.075101 O\n0.258855 0.799634 0.284750 O\n0.741145 0.200366 0.715250 O\n0.608684 0.126212 0.287772 O\n0.391316 0.873788 0.712228 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"V",
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-V-Zn",
"density": 3.9589195160522443,
"density_atomic": 0.07862559021179713,
"volume": 432.42918632995617,
"volume_molar": 7.659263025915482,
"formula_full": "V6 Zn4 Fe2 O22",
"formula_reduced": "V3Zn2FeO11",
"formula_anonymous": "AB2C3D11",
"energy": -257.66635165,
"energy_per_atom": -7.578422107352942,
"energy_above_hull": null,
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"energy_uncorrected": -227.84035165,
"band_gap": 2.145,
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"updated_at": "2021-11-28T01:37:46.567000Z",
"spacegroup": 2
},
{
"id": "mp-803041",
"created_at": "2022-09-04T14:46:10.021021Z",
"structure_string": "Li8 Mn2 V2 P6 O24\n1.0\n8.415449 0.000000 0.000000\n-4.141997 7.350062 0.000000\n-0.060616 -4.835775 7.944744\nLi Mn V P O\n8 2 2 6 24\ndirect\n0.735506 0.532756 0.135388 Li\n0.056517 0.169392 0.097379 Li\n0.341444 0.780870 0.147061 Li\n0.201667 0.849977 0.409372 Li\n0.798333 0.150023 0.590628 Li\n0.658556 0.219130 0.852939 Li\n0.943483 0.830608 0.902621 Li\n0.264494 0.467244 0.864612 Li\n0.849941 0.589206 0.561778 Mn\n0.150059 0.410794 0.438222 Mn\n0.351657 0.621492 0.034900 V\n0.648343 0.378508 0.965100 V\n0.050626 0.293172 0.245910 P\n0.453024 0.013877 0.246365 P\n0.745421 0.715227 0.238069 P\n0.254579 0.284773 0.761931 P\n0.546976 0.986123 0.753635 P\n0.949374 0.706828 0.754090 P\n0.849507 0.424010 0.106909 O\n0.496764 0.301946 0.178847 O\n0.167777 0.314298 0.182972 O\n0.445738 0.104708 0.100751 O\n0.790263 0.056154 0.100771 O\n0.248950 0.890421 0.267720 O\n0.032706 0.971662 0.412071 O\n0.602222 0.802753 0.407120 O\n0.527656 0.659562 0.176870 O\n0.866262 0.614477 0.244692 O\n0.791844 0.563746 0.408636 O\n0.147850 0.490785 0.254194 O\n0.852150 0.509215 0.745806 O\n0.208156 0.436254 0.591364 O\n0.133738 0.385523 0.755308 O\n0.472344 0.340438 0.823130 O\n0.397778 0.197247 0.592880 O\n0.967294 0.028338 0.587929 O\n0.751050 0.109579 0.732280 O\n0.209737 0.943846 0.899229 O\n0.554262 0.895292 0.899249 O\n0.832223 0.685702 0.817028 O\n0.503236 0.698054 0.821153 O\n0.150493 0.575990 0.893091 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8286952083893646,
"density_atomic": 0.08546751715460854,
"volume": 491.41476666536454,
"volume_molar": 7.046116420003288,
"formula_full": "Li8 Mn2 V2 P6 O24",
"formula_reduced": "Li4MnV(PO4)3",
"formula_anonymous": "ABC3D4E12",
"energy": -66.83710896,
"energy_per_atom": -1.591359737142857,
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"updated_at": "2021-11-28T01:37:26.378000Z",
"spacegroup": 2
},
{
"id": "mp-1210700",
"created_at": "2022-09-04T14:45:53.954414Z",
"structure_string": "Mn2 Sb4 Se8\n1.0\n2.007598 6.654619 0.000000\n-2.007598 6.654619 0.000000\n0.000000 6.508063 14.235104\nMn Sb Se\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.645374 0.645374 0.629642 Sb\n0.354626 0.354626 0.370358 Sb\n0.230723 0.230723 0.123887 Sb\n0.769277 0.769277 0.876113 Sb\n0.010502 0.010502 0.329164 Se\n0.989498 0.989498 0.670836 Se\n0.656684 0.656684 0.457745 Se\n0.343316 0.343316 0.542255 Se\n0.605406 0.605406 0.049310 Se\n0.394594 0.394594 0.950690 Se\n0.837056 0.837056 0.173874 Se\n0.162944 0.162944 0.826126 Se\n",
"nsites": 14,
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"elements": [
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"Sb",
"Se"
],
"chemical_system": "Mn-Sb-Se",
"density": 5.363738991887402,
"density_atomic": 0.03680759533289142,
"volume": 380.3562790066196,
"volume_molar": 16.361136079483547,
"formula_full": "Mn2 Sb4 Se8",
"formula_reduced": "Mn(SbSe2)2",
"formula_anonymous": "AB2C4",
"energy": -70.92386422999999,
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"updated_at": "2021-11-28T01:37:08.407000Z",
"spacegroup": 12
},
{
"id": "mp-1174645",
"created_at": "2022-09-04T14:46:10.024285Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.002513 0.000000 0.000000\n-0.962429 5.083508 0.000000\n-1.641457 -1.913801 9.894663\nLi Mn Co O\n8 2 4 14\ndirect\n0.715570 0.430409 0.920109 Li\n0.290222 0.574828 0.074997 Li\n0.853584 0.716616 0.222300 Li\n0.577869 0.134768 0.635591 Li\n0.131579 0.278018 0.772752 Li\n0.428515 0.858552 0.361797 Li\n0.999464 0.999364 0.507161 Li\n0.854159 0.713406 0.711689 Li\n0.000392 0.992944 0.998281 Mn\n0.428331 0.853320 0.854150 Mn\n0.569860 0.140854 0.142120 Co\n0.148185 0.291544 0.289098 Co\n0.717684 0.435587 0.435457 Co\n0.291463 0.581670 0.577090 Co\n0.785319 0.061911 0.837266 O\n0.356082 0.181905 0.970977 O\n0.919066 0.314165 0.103118 O\n0.625043 0.766422 0.533412 O\n0.240667 0.926289 0.692903 O\n0.487183 0.484917 0.251212 O\n0.061487 0.626430 0.391507 O\n0.654417 0.792072 0.023067 O\n0.216269 0.945159 0.168465 O\n0.779737 0.087561 0.305348 O\n0.482562 0.531683 0.759775 O\n0.090134 0.680667 0.901395 O\n0.358046 0.231567 0.461218 O\n0.937110 0.367370 0.597746 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.125395886588433,
"density_atomic": 0.1112769687795035,
"volume": 251.62439548009525,
"volume_molar": 5.411848315110861,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.11204897,
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"updated_at": "2021-11-28T01:37:18.661000Z",
"spacegroup": 1
},
{
"id": "mp-19180",
"created_at": "2022-09-04T14:43:34.227773Z",
"structure_string": "V2 Fe2 Mo2 O14\n1.0\n5.653626 0.000000 0.000000\n-1.348020 6.677608 0.000000\n-0.024773 -0.826199 8.007602\nV Fe Mo O\n2 2 2 14\ndirect\n0.691993 0.760966 0.335835 V\n0.308007 0.239034 0.664165 V\n0.171872 0.691580 0.595513 Fe\n0.828128 0.308420 0.404487 Fe\n0.703252 0.786187 0.890555 Mo\n0.296748 0.213813 0.109445 Mo\n0.778486 0.045289 0.896180 O\n0.221514 0.954711 0.103820 O\n0.427970 0.703692 0.769153 O\n0.572030 0.296308 0.230847 O\n0.932590 0.683205 0.781537 O\n0.067410 0.316795 0.218463 O\n0.204325 0.990010 0.612821 O\n0.795675 0.009990 0.387179 O\n0.107550 0.375845 0.576487 O\n0.892450 0.624155 0.423513 O\n0.415288 0.694483 0.417594 O\n0.665193 0.707609 0.108928 O\n0.584712 0.305517 0.582406 O\n0.334807 0.292391 0.891072 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Fe-Mo-O-V",
"density": 3.4574517957943174,
"density_atomic": 0.06615756618575658,
"volume": 302.30858166463065,
"volume_molar": 9.102724158701804,
"formula_full": "V2 Fe2 Mo2 O14",
"formula_reduced": "VFeMoO7",
"formula_anonymous": "ABCD7",
"energy": -166.500716,
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"updated_at": "2021-11-28T01:36:18.528000Z",
"spacegroup": 2
},
{
"id": "mp-1178149",
"created_at": "2022-09-04T14:47:28.333113Z",
"structure_string": "K6 Mn2 P2 C2 O14\n1.0\n7.048050 0.000000 0.000000\n0.000000 5.672181 0.000000\n0.000000 0.160199 9.765115\nK Mn P C O\n6 2 2 2 14\ndirect\n0.250000 0.762081 0.921262 K\n0.008719 0.258616 0.730721 K\n0.491281 0.258616 0.730721 K\n0.508719 0.741384 0.269279 K\n0.991281 0.741384 0.269279 K\n0.750000 0.237919 0.078738 K\n0.750000 0.774902 0.636177 Mn\n0.250000 0.225098 0.363823 Mn\n0.250000 0.714779 0.577547 P\n0.750000 0.285221 0.422453 P\n0.750000 0.741624 0.917789 C\n0.250000 0.258376 0.082211 C\n0.250000 0.267203 0.949262 O\n0.750000 0.943939 0.851887 O\n0.750000 0.549201 0.846314 O\n0.070478 0.760892 0.667096 O\n0.429522 0.760892 0.667096 O\n0.250000 0.450469 0.533591 O\n0.750000 0.124286 0.552734 O\n0.250000 0.875714 0.447266 O\n0.750000 0.549531 0.466409 O\n0.570478 0.239108 0.332904 O\n0.929522 0.239108 0.332904 O\n0.250000 0.450799 0.153686 O\n0.250000 0.056061 0.148113 O\n0.750000 0.732797 0.050738 O\n",
"nsites": 26,
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"elements": [
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"Mn",
"P",
"C",
"O"
],
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{
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"created_at": "2022-09-04T14:39:05.883125Z",
"structure_string": "Ca4 Mn2 As4 H8 O20\n1.0\n13.167344 0.000000 0.000000\n0.000000 5.791706 0.000000\n0.000000 1.852983 5.658882\nCa Mn As H O\n4 2 4 8 20\ndirect\n0.880003 0.758395 0.568744 Ca\n0.380003 0.741605 0.431256 Ca\n0.119997 0.241605 0.431256 Ca\n0.619997 0.258395 0.568744 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.877852 0.428746 0.223936 As\n0.377852 0.071254 0.776064 As\n0.122148 0.571254 0.776064 As\n0.622148 0.928746 0.223936 As\n0.710422 0.498585 0.893928 H\n0.210422 0.001415 0.106072 H\n0.289578 0.501415 0.106072 H\n0.789578 0.998585 0.893928 H\n0.655921 0.694922 0.683819 H\n0.155921 0.805078 0.316181 H\n0.344079 0.305078 0.316181 H\n0.844079 0.194922 0.683819 H\n0.643100 0.531659 0.803721 O\n0.143100 0.968341 0.196279 O\n0.961881 0.651260 0.247290 O\n0.461881 0.848740 0.752710 O\n0.038119 0.348740 0.752710 O\n0.538119 0.151260 0.247290 O\n0.945739 0.158248 0.288269 O\n0.445739 0.341752 0.711731 O\n0.054261 0.841752 0.711731 O\n0.554261 0.658248 0.288269 O\n0.825242 0.502098 0.949804 O\n0.325242 0.997902 0.050196 O\n0.174758 0.497902 0.050196 O\n0.674758 0.002098 0.949804 O\n0.793426 0.417376 0.450186 O\n0.293426 0.082624 0.549814 O\n0.206574 0.582624 0.549814 O\n0.706574 0.917376 0.450186 O\n0.856900 0.031659 0.803721 O\n0.356900 0.468341 0.196279 O\n",
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],
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"density": 3.4550498793785867,
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"formula_full": "Ca4 Mn2 As4 H8 O20",
"formula_reduced": "Ca2MnAs2(H2O5)2",
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{
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"created_at": "2022-09-04T14:48:03.379720Z",
"structure_string": "Mg3 Fe2 H4 Se6 O20\n1.0\n6.450384 -0.015070 1.261054\n1.839764 7.850404 0.596558\n0.001252 0.009907 9.057265\nMg Fe H Se O\n3 2 4 6 20\ndirect\n0.500000 0.000000 0.000000 Mg\n0.312860 0.675836 0.264999 Mg\n0.687140 0.324164 0.735001 Mg\n0.134698 0.396859 0.117840 Fe\n0.865302 0.603141 0.882160 Fe\n0.316044 0.467651 0.536403 H\n0.683956 0.532349 0.463597 H\n0.148221 0.642080 0.556637 H\n0.851780 0.357920 0.443363 H\n0.236351 0.077115 0.365589 Se\n0.763649 0.922885 0.634411 Se\n0.666693 0.291108 0.128476 Se\n0.333307 0.708892 0.871524 Se\n0.199917 0.217481 0.776596 Se\n0.800083 0.782519 0.223404 Se\n0.334308 0.796367 0.037575 O\n0.665692 0.203633 0.962425 O\n0.455836 0.056528 0.220597 O\n0.544164 0.943472 0.779403 O\n0.135415 0.907869 0.346539 O\n0.864585 0.092131 0.653461 O\n0.056871 0.248297 0.292454 O\n0.943129 0.751703 0.707546 O\n0.230604 0.203487 0.969072 O\n0.769396 0.796513 0.030928 O\n0.829988 0.439851 0.070471 O\n0.170012 0.560149 0.929529 O\n0.416102 0.432905 0.161394 O\n0.583898 0.567095 0.838606 O\n0.393834 0.315041 0.688160 O\n0.606166 0.684959 0.311840 O\n0.260355 0.573924 0.482654 O\n0.739645 0.426076 0.517346 O\n0.026109 0.618342 0.231065 O\n0.973891 0.381658 0.768935 O\n",
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]
}