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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=11478",
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"results": [
{
"id": "mp-756199",
"created_at": "2022-09-04T14:42:15.409471Z",
"structure_string": "Li3 Mn2 P2 C2 O14\n1.0\n5.035370 0.000000 0.000000\n0.009760 6.359696 0.000000\n0.615956 0.037764 8.282476\nLi Mn P C O\n3 2 2 2 14\ndirect\n0.243516 0.047335 0.273857 Li\n0.748140 0.529723 0.730234 Li\n0.234017 0.756558 0.902397 Li\n0.806032 0.746239 0.328445 Mn\n0.204245 0.244290 0.673050 Mn\n0.726363 0.250825 0.421618 P\n0.281163 0.749036 0.579340 P\n0.709124 0.749831 0.041734 C\n0.293309 0.250179 0.953254 C\n0.956343 0.752736 0.071574 O\n0.343326 0.231852 0.095621 O\n0.538709 0.767175 0.169754 O\n0.828101 0.058579 0.323473 O\n0.795385 0.440462 0.314590 O\n0.151119 0.764924 0.418525 O\n0.418429 0.228819 0.464511 O\n0.581327 0.725617 0.547480 O\n0.857038 0.265741 0.584992 O\n0.204651 0.936866 0.694554 O\n0.170539 0.561795 0.689148 O\n0.476628 0.267623 0.829878 O\n0.623892 0.728040 0.903603 O\n0.053034 0.248125 0.899204 O\n",
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"formula_full": "Li3 Mn2 P2 C2 O14",
"formula_reduced": "Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
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},
{
"id": "mp-780335",
"created_at": "2022-09-04T14:42:15.418705Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n6.173209 0.000000 0.000000\n2.036936 8.819520 0.000000\n1.076581 1.059396 9.218047\nLi Mn B O\n6 8 8 24\ndirect\n0.833646 0.282643 0.002511 Li\n0.166354 0.717357 0.997489 Li\n0.580563 0.779692 0.237671 Li\n0.675848 0.718015 0.508051 Li\n0.324152 0.281985 0.491949 Li\n0.419437 0.220308 0.762329 Li\n0.773482 0.949021 0.966160 Mn\n0.226518 0.050979 0.033840 Mn\n0.980844 0.536955 0.270238 Mn\n0.735000 0.054672 0.517632 Mn\n0.520484 0.442244 0.228057 Mn\n0.265000 0.945328 0.482368 Mn\n0.019156 0.463045 0.729762 Mn\n0.479516 0.557756 0.771943 Mn\n0.769798 0.615243 0.978556 B\n0.230202 0.384757 0.021444 B\n0.970256 0.872833 0.273427 B\n0.701492 0.389297 0.524070 B\n0.533385 0.113832 0.225935 B\n0.298508 0.610703 0.475930 B\n0.029744 0.127167 0.726573 B\n0.466615 0.886168 0.774065 B\n0.750940 0.497202 0.897736 O\n0.879357 0.725623 0.916832 O\n0.609489 0.235875 0.152934 O\n0.305764 0.395805 0.874735 O\n0.047197 0.885271 0.126507 O\n0.694236 0.604195 0.125265 O\n0.120643 0.274377 0.083168 O\n0.863879 0.757593 0.333954 O\n0.249060 0.502798 0.102264 O\n0.991813 0.981806 0.360653 O\n0.758591 0.406095 0.375419 O\n0.523482 0.991782 0.150762 O\n0.729851 0.504299 0.603023 O\n0.466197 0.105231 0.375909 O\n0.270149 0.495701 0.396977 O\n0.008187 0.018194 0.639347 O\n0.391125 0.730004 0.409595 O\n0.136121 0.242407 0.666046 O\n0.533803 0.894769 0.624091 O\n0.241409 0.593905 0.624581 O\n0.952803 0.114729 0.873493 O\n0.608875 0.269996 0.590405 O\n0.390511 0.764125 0.847066 O\n0.476518 0.008218 0.849238 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.148615415568057,
"density_atomic": 0.09165643968838615,
"volume": 501.8741744321615,
"volume_molar": 6.57034113530276,
"formula_full": "Li6 Mn8 B8 O24",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -370.20757409,
"energy_per_atom": -8.047990741086956,
"energy_above_hull": null,
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"energy_uncorrected": -340.37557409,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.954000Z",
"spacegroup": 2
},
{
"id": "mp-1043615",
"created_at": "2022-09-04T14:42:24.654003Z",
"structure_string": "Mn6 Zn2 P8 O28\n1.0\n7.541915 0.000000 0.000000\n0.000000 7.529579 0.000000\n0.000000 3.938019 9.085440\nMn Zn P O\n6 2 8 28\ndirect\n0.120964 0.808352 0.524812 Mn\n0.620964 0.191648 0.975188 Mn\n0.879036 0.191648 0.475188 Mn\n0.379036 0.808352 0.024812 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.911358 0.408081 0.701636 P\n0.411358 0.591919 0.798364 P\n0.088642 0.591919 0.298364 P\n0.588642 0.408081 0.201636 P\n0.210880 0.148869 0.682701 P\n0.710880 0.851131 0.817299 P\n0.789120 0.851131 0.317299 P\n0.289120 0.148869 0.182701 P\n0.386344 0.222854 0.598751 O\n0.886344 0.777146 0.901249 O\n0.613656 0.777146 0.401249 O\n0.113656 0.222854 0.098751 O\n0.378067 0.723905 0.633436 O\n0.878067 0.276095 0.866564 O\n0.621933 0.276095 0.366564 O\n0.121933 0.723905 0.133436 O\n0.773003 0.376881 0.599587 O\n0.273003 0.623119 0.900413 O\n0.226997 0.623119 0.400413 O\n0.726997 0.376881 0.099587 O\n0.100967 0.341387 0.660041 O\n0.600967 0.658613 0.839959 O\n0.899033 0.658613 0.339959 O\n0.399033 0.341387 0.160041 O\n0.551291 0.612964 0.184459 O\n0.051291 0.387036 0.315541 O\n0.448709 0.387036 0.815541 O\n0.948709 0.612964 0.684459 O\n0.778685 0.965947 0.150570 O\n0.278685 0.034053 0.349430 O\n0.221315 0.034053 0.849430 O\n0.721315 0.965947 0.650570 O\n0.396943 0.040102 0.108172 O\n0.896943 0.959898 0.391828 O\n0.603057 0.959898 0.891828 O\n0.103057 0.040102 0.608172 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mn",
"Zn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Zn",
"density": 3.721269466431738,
"density_atomic": 0.08528141235255685,
"volume": 515.9389225181004,
"volume_molar": 7.061492761288033,
"formula_full": "Mn6 Zn2 P8 O28",
"formula_reduced": "Mn3Zn(P2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -348.38520058999995,
"energy_per_atom": -7.917845467954544,
"energy_above_hull": null,
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"energy_uncorrected": -319.14120059,
"band_gap": 2.6424000000000003,
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"updated_at": "2021-11-28T01:35:45.693000Z",
"spacegroup": 14
},
{
"id": "mp-1362067",
"created_at": "2022-09-04T14:42:15.428203Z",
"structure_string": "V6 Zn1 Fe4 O24\n1.0\n6.509574 -0.122707 -1.773655\n-2.522948 7.585340 -2.307970\n-0.002588 -0.203158 10.001287\nV Zn Fe O\n6 1 4 24\ndirect\n0.887505 0.891382 0.660908 V\n0.112495 0.108618 0.339092 V\n0.205978 0.662147 0.266911 V\n0.794022 0.337853 0.733089 V\n0.609183 0.258381 0.137478 V\n0.390817 0.741619 0.862522 V\n0.000000 0.500000 0.500000 Zn\n0.375140 0.960933 0.606020 Fe\n0.624860 0.039067 0.393980 Fe\n0.050130 0.205713 0.012031 Fe\n0.949870 0.794287 0.987969 Fe\n0.069253 0.057889 0.143855 O\n0.930747 0.942111 0.856145 O\n0.554308 0.108732 0.224460 O\n0.445692 0.891268 0.775540 O\n0.167923 0.441261 0.178115 O\n0.832077 0.558739 0.821885 O\n0.990419 0.277972 0.840860 O\n0.009581 0.722028 0.159140 O\n0.242329 0.803799 0.978551 O\n0.757671 0.196201 0.021449 O\n0.882017 0.995006 0.358071 O\n0.117983 0.004994 0.641929 O\n0.542760 0.218798 0.729307 O\n0.457240 0.781202 0.270693 O\n0.357434 0.253244 0.027196 O\n0.642566 0.746756 0.972804 O\n0.340471 0.048614 0.430678 O\n0.659529 0.951386 0.569322 O\n0.211037 0.711558 0.456906 O\n0.788963 0.288442 0.543094 O\n0.773320 0.456533 0.283163 O\n0.226680 0.543467 0.716837 O\n0.146992 0.327053 0.416834 O\n0.853008 0.672947 0.583166 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"V",
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-V-Zn",
"density": 3.337917696841076,
"density_atomic": 0.0719064174036328,
"volume": 486.743760345259,
"volume_molar": 8.37496982528816,
"formula_full": "V6 Zn1 Fe4 O24",
"formula_reduced": "V6Zn(FeO6)4",
"formula_anonymous": "AB4C6D24",
"energy": -274.46833327,
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"updated_at": "2021-11-28T01:35:47.596000Z",
"spacegroup": 2
},
{
"id": "mp-972987",
"created_at": "2022-09-04T14:42:25.216909Z",
"structure_string": "Mn3 Tl1\n1.0\n4.022460 0.000000 0.000000\n0.000000 4.022460 0.000000\n0.000000 0.000000 4.022460\nMn Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.419602369649494,
"density_atomic": 0.06145890086464133,
"volume": 65.08414474918293,
"volume_molar": 9.798647023094862,
"formula_full": "Mn3 Tl1",
"formula_reduced": "Mn3Tl",
"formula_anonymous": "AB3",
"energy": -27.89756718,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:44.718000Z",
"spacegroup": 221
},
{
"id": "mp-1211154",
"created_at": "2022-09-04T14:42:21.522773Z",
"structure_string": "Na6 Ca8 Ti2 Si8 O32 F4\n1.0\n5.689929 0.000000 0.000000\n0.000000 7.458434 0.000000\n0.000000 0.007251 18.819196\nNa Ca Ti Si O F\n6 8 2 8 32 4\ndirect\n0.348845 0.623102 0.249298 Na\n0.848845 0.376898 0.750702 Na\n0.847600 0.858760 0.245956 Na\n0.347600 0.141240 0.754044 Na\n0.340707 0.612300 0.752912 Na\n0.840707 0.387700 0.247088 Na\n0.182907 0.877026 0.552180 Ca\n0.682907 0.122974 0.447820 Ca\n0.000449 0.627914 0.061728 Ca\n0.500449 0.372086 0.938272 Ca\n0.199195 0.373913 0.565549 Ca\n0.699195 0.626087 0.434451 Ca\n0.500482 0.876077 0.939999 Ca\n0.000482 0.123923 0.060001 Ca\n0.310862 0.123103 0.236486 Ti\n0.810862 0.876897 0.763514 Ti\n0.495160 0.408707 0.108578 Si\n0.995160 0.591293 0.891422 Si\n0.199843 0.840463 0.387776 Si\n0.699843 0.159537 0.612224 Si\n0.202202 0.407702 0.391334 Si\n0.702202 0.592298 0.608666 Si\n0.495823 0.840766 0.110361 Si\n0.995823 0.159234 0.889639 Si\n0.488200 0.935784 0.188816 O\n0.988200 0.064216 0.811184 O\n0.739076 0.881806 0.067957 O\n0.239076 0.118194 0.932043 O\n0.737547 0.369106 0.065389 O\n0.237547 0.630894 0.934611 O\n0.485452 0.310182 0.186276 O\n0.985452 0.689818 0.813724 O\n0.077467 0.860526 0.679531 O\n0.577467 0.139474 0.320469 O\n0.222213 0.937039 0.309538 O\n0.722213 0.062961 0.690462 O\n0.492598 0.624164 0.130280 O\n0.992598 0.375836 0.869720 O\n0.242760 0.308772 0.313290 O\n0.742760 0.691228 0.686710 O\n0.446234 0.641058 0.575793 O\n0.946234 0.358942 0.424207 O\n0.045235 0.127934 0.190760 O\n0.545235 0.872066 0.809240 O\n0.269881 0.370164 0.057275 O\n0.769881 0.629836 0.942725 O\n0.953416 0.885948 0.427979 O\n0.453416 0.114052 0.572021 O\n0.413753 0.377536 0.448182 O\n0.913753 0.622464 0.551818 O\n0.419855 0.875248 0.441100 O\n0.919855 0.124752 0.558900 O\n0.197122 0.622742 0.367720 O\n0.697122 0.377258 0.632280 O\n0.270622 0.881732 0.059774 O\n0.770622 0.118268 0.940226 O\n0.689022 0.626069 0.313816 F\n0.189022 0.373931 0.686184 F\n0.006472 0.621484 0.183541 F\n0.506472 0.378516 0.816459 F\n",
"nsites": 60,
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"elements": [
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"O",
"F"
],
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"density": 2.84215501184557,
"density_atomic": 0.07512693772239393,
"volume": 798.6482854087519,
"volume_molar": 8.015953987440264,
"formula_full": "Na6 Ca8 Ti2 Si8 O32 F4",
"formula_reduced": "Na3Ca4TiSi4(O8F)2",
"formula_anonymous": "AB2C3D4E4F16",
"energy": -433.7820096,
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"updated_at": "2021-11-28T01:35:44.843000Z",
"spacegroup": 4
},
{
"id": "mp-1223559",
"created_at": "2022-09-04T14:42:21.535652Z",
"structure_string": "K1 Cr1 Cd1 C6 N6 O1\n1.0\n0.000000 5.591867 5.591867\n5.591867 0.000000 5.591867\n5.591867 5.591867 0.000000\nK Cr Cd C N O\n1 1 1 6 6 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.813497 0.186503 0.186503 C\n0.186503 0.813497 0.186503 C\n0.186503 0.186503 0.813497 C\n0.186503 0.813497 0.813497 C\n0.813497 0.813497 0.186503 C\n0.813497 0.186503 0.813497 C\n0.708806 0.291194 0.291194 N\n0.291194 0.708806 0.291194 N\n0.291194 0.291194 0.708806 N\n0.291194 0.708806 0.708806 N\n0.708806 0.708806 0.291194 N\n0.708806 0.291194 0.708806 N\n0.250000 0.250000 0.250000 O\n",
"nsites": 16,
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"elements": [
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"Cr",
"Cd",
"C",
"N",
"O"
],
"chemical_system": "C-Cd-Cr-K-N-O",
"density": 1.783548086221771,
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"volume": 349.7039161392246,
"volume_molar": 13.162288795710289,
"formula_full": "K1 Cr1 Cd1 C6 N6 O1",
"formula_reduced": "KCrCdC6N6O",
"formula_anonymous": "ABCDE6F6",
"energy": -118.62531308,
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"spacegroup": 216
},
{
"id": "mp-9075",
"created_at": "2022-09-04T14:42:15.438917Z",
"structure_string": "Cd2 Cu2 F8\n1.0\n-2.721489 2.721489 5.212917\n2.721489 -2.721489 5.212917\n2.721489 2.721489 -5.212917\nCd Cu F\n2 2 8\ndirect\n0.250000 0.250000 0.000000 Cd\n0.750000 0.750000 0.000000 Cd\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.947458 0.447458 0.139377 F\n0.691919 0.191919 0.139377 F\n0.052542 0.552542 0.860623 F\n0.552542 0.691919 0.500000 F\n0.308081 0.808081 0.860623 F\n0.808081 0.947458 0.500000 F\n0.447458 0.308081 0.500000 F\n0.191919 0.052542 0.500000 F\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.418019254422934,
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"volume": 154.43792860893788,
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"formula_full": "Cd2 Cu2 F8",
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{
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"structure_string": "Mg12 Co2 Sn2\n1.0\n4.890876 0.000000 0.000000\n0.000000 6.146814 0.000000\n0.000000 0.000000 10.738018\nMg Co Sn\n12 2 2\ndirect\n0.500000 0.248264 0.416789 Mg\n0.500000 0.751736 0.416789 Mg\n0.000000 0.766412 0.086110 Mg\n0.000000 0.233588 0.086110 Mg\n0.000000 0.000000 0.323891 Mg\n0.000000 0.500000 0.335903 Mg\n0.500000 0.748264 0.916789 Mg\n0.500000 0.251736 0.916789 Mg\n0.000000 0.266412 0.586110 Mg\n0.000000 0.733588 0.586110 Mg\n0.000000 0.500000 0.823891 Mg\n0.000000 0.000000 0.835903 Mg\n0.500000 0.000000 0.166001 Co\n0.500000 0.500000 0.666001 Co\n0.500000 0.500000 0.168403 Sn\n0.500000 0.000000 0.668403 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Co",
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],
"chemical_system": "Co-Mg-Sn",
"density": 3.3277948074556285,
"density_atomic": 0.04956317634373493,
"volume": 322.82031097110047,
"volume_molar": 12.150433455343371,
"formula_full": "Mg12 Co2 Sn2",
"formula_reduced": "Mg6CoSn",
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"updated_at": "2021-11-28T01:35:35.609000Z",
"spacegroup": 38
},
{
"id": "mp-1069042",
"created_at": "2022-09-04T14:42:21.576832Z",
"structure_string": "Eu1 Zn2 Sb2\n1.0\n2.290005 -3.966405 0.000000\n2.290005 3.966405 0.000000\n0.000000 0.000000 7.423235\nEu Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.359124 Zn\n0.333333 0.666667 0.640876 Zn\n0.666667 0.333333 0.737113 Sb\n0.333333 0.666667 0.262887 Sb\n",
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"elements": [
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],
"chemical_system": "Eu-Sb-Zn",
"density": 6.48078218488858,
"density_atomic": 0.03707774487441305,
"volume": 134.8517828399657,
"volume_molar": 16.24192835998452,
"formula_full": "Eu1 Zn2 Sb2",
"formula_reduced": "Eu(ZnSb)2",
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"updated_at": "2021-11-28T01:35:45.598000Z",
"spacegroup": 164
},
{
"id": "mp-1216728",
"created_at": "2022-09-04T14:42:24.659839Z",
"structure_string": "Ti2 Mn2 Sb2\n1.0\n2.287449 -3.961977 0.000000\n2.287449 3.961977 0.000000\n0.000000 0.000000 5.633080\nTi Mn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.750000 Mn\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mn-Sb-Ti",
"density": 7.304356556744632,
"density_atomic": 0.05876408328973866,
"volume": 102.10318385155028,
"volume_molar": 10.247995753303247,
"formula_full": "Ti2 Mn2 Sb2",
"formula_reduced": "TiMnSb",
"formula_anonymous": "ABC",
"energy": -43.88861878,
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"energy_uncorrected": -43.50461878,
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"updated_at": "2021-11-28T01:35:46.866000Z",
"spacegroup": 194
},
{
"id": "mp-756969",
"created_at": "2022-09-04T14:42:24.664271Z",
"structure_string": "Li6 V3 Fe3 O12\n1.0\n5.183535 0.000000 0.000000\n-0.013969 6.020323 0.000000\n-2.535909 -1.542511 7.315903\nLi V Fe O\n6 3 3 12\ndirect\n0.998068 0.080398 0.833247 Li\n0.998512 0.247780 0.497835 Li\n0.001076 0.587027 0.832537 Li\n0.001932 0.919602 0.166753 Li\n0.998924 0.412973 0.167463 Li\n0.001488 0.752220 0.502165 Li\n0.499381 0.334660 0.833394 V\n0.500619 0.665340 0.166606 V\n0.500000 0.500000 0.500000 V\n0.501314 0.835752 0.832798 Fe\n0.498686 0.164248 0.167202 Fe\n0.500000 0.000000 0.500000 Fe\n0.726221 0.621520 0.992810 O\n0.728905 0.121589 0.997097 O\n0.726009 0.452234 0.329959 O\n0.727449 0.952994 0.326930 O\n0.724425 0.294269 0.659729 O\n0.730597 0.800384 0.664033 O\n0.271095 0.878411 0.002903 O\n0.273779 0.378480 0.007190 O\n0.269403 0.199616 0.335967 O\n0.275575 0.705731 0.340271 O\n0.272551 0.047006 0.673070 O\n0.273991 0.547766 0.670041 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.029431369283586,
"density_atomic": 0.10512293440743499,
"volume": 228.30412921105216,
"volume_molar": 5.7286650091591,
"formula_full": "Li6 V3 Fe3 O12",
"formula_reduced": "Li2VFeO4",
"formula_anonymous": "ABC2D4",
"energy": -176.32571246999998,
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"updated_at": "2021-11-28T01:35:47.788000Z",
"spacegroup": 2
}
]
}