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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11494",
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"results": [
{
"id": "mp-1344419",
"created_at": "2022-09-04T14:46:41.885082Z",
"structure_string": "Li3 Mn4 B4 O12\n1.0\n-5.260941 0.000000 0.000000\n2.604339 5.598530 0.000000\n-0.154872 -3.032936 -8.566846\nLi Mn B O\n3 4 4 12\ndirect\n0.169638 0.552117 0.105798 Li\n0.679066 0.063307 0.620539 Li\n0.314877 0.930176 0.384384 Li\n0.796272 0.044609 0.190502 Mn\n0.702333 0.457123 0.298717 Mn\n0.304917 0.533668 0.715376 Mn\n0.184462 0.949731 0.798214 Mn\n0.291685 0.199285 0.037734 B\n0.199289 0.274941 0.464112 B\n0.817305 0.748365 0.534303 B\n0.696312 0.781049 0.964419 B\n0.070696 0.265284 0.028843 O\n0.455241 0.134483 0.179613 O\n0.587496 0.721510 0.101495 O\n0.048582 0.357304 0.321839 O\n0.438814 0.230830 0.472572 O\n0.095266 0.224478 0.603447 O\n0.902607 0.776496 0.396351 O\n0.567118 0.766946 0.535741 O\n0.006895 0.709949 0.671764 O\n0.370857 0.220123 0.896514 O\n0.537828 0.853209 0.822000 O\n0.948072 0.756640 0.972616 O\n",
"nsites": 23,
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"elements": [
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"B",
"O"
],
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"density": 3.13131002876506,
"density_atomic": 0.09115267853230767,
"volume": 252.32390721077934,
"volume_molar": 6.606652549289097,
"formula_full": "Li3 Mn4 B4 O12",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -157.66803007,
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"is_magnetic": true,
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"spacegroup": 1
},
{
"id": "mp-778302",
"created_at": "2022-09-04T14:46:42.097028Z",
"structure_string": "Li8 Mn5 Fe3 B8 O24\n1.0\n-5.236630 0.000000 0.000000\n2.618288 4.549355 0.000000\n-0.168624 -0.562113 -20.883508\nLi Mn Fe B O\n8 5 3 8 24\ndirect\n0.022262 0.675974 0.333879 Li\n0.975345 0.653247 0.084227 Li\n0.025562 0.677422 0.833994 Li\n0.972702 0.651488 0.583970 Li\n0.015708 0.348517 0.208215 Li\n0.987942 0.337124 0.458125 Li\n0.009304 0.345558 0.708183 Li\n0.988737 0.337575 0.958687 Li\n0.667092 0.674014 0.440351 Mn\n0.667019 0.673216 0.941242 Mn\n0.321552 0.321440 0.067483 Mn\n0.320801 0.323613 0.566319 Mn\n0.334639 0.002745 0.692805 Mn\n0.683002 0.007433 0.315044 Fe\n0.686801 0.005260 0.816361 Fe\n0.332291 0.995880 0.193109 Fe\n0.655765 0.996652 0.063754 B\n0.655469 0.997636 0.562820 B\n0.666211 0.668626 0.189117 B\n0.662392 0.665271 0.688655 B\n0.338080 0.337101 0.312138 B\n0.342024 0.339053 0.813253 B\n0.339061 0.006255 0.436626 B\n0.339236 0.006440 0.937105 B\n0.681941 0.933669 0.208060 O\n0.684619 0.929421 0.710050 O\n0.675967 0.745740 0.048290 O\n0.388634 0.965996 0.084679 O\n0.676009 0.746976 0.547411 O\n0.388274 0.966800 0.584049 O\n0.394799 0.418676 0.175198 O\n0.089237 0.731717 0.429816 O\n0.385159 0.422200 0.673388 O\n0.089598 0.732065 0.930158 O\n0.922181 0.653778 0.182016 O\n0.911712 0.641147 0.680744 O\n0.085233 0.359034 0.305831 O\n0.089216 0.360690 0.806305 O\n0.901499 0.272266 0.056415 O\n0.603039 0.583192 0.330717 O\n0.900596 0.272914 0.555260 O\n0.607179 0.584482 0.832316 O\n0.614557 0.039139 0.420785 O\n0.615102 0.039276 0.921613 O\n0.318539 0.248990 0.458356 O\n0.318015 0.248846 0.958831 O\n0.322179 0.066485 0.298664 O\n0.327717 0.070162 0.799384 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.231625588606106,
"density_atomic": 0.09647972734866164,
"volume": 497.5138437791807,
"volume_molar": 6.241871661014327,
"formula_full": "Li8 Mn5 Fe3 B8 O24",
"formula_reduced": "Li8Mn5Fe3(BO3)8",
"formula_anonymous": "A3B5C8D8E24",
"energy": -375.87144278,
"energy_per_atom": -7.830655057916666,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -344.27544278,
"band_gap": 3.0729,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 37.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.368000Z",
"spacegroup": 1
},
{
"id": "mp-802313",
"created_at": "2022-09-04T14:46:42.114262Z",
"structure_string": "Li1 V1 Fe1 P2 H2 O10\n1.0\n5.216535 0.000000 0.000000\n-0.729339 5.250479 0.000000\n-1.945631 -2.851309 6.569425\nLi V Fe P H O\n1 1 1 2 2 10\ndirect\n0.619324 0.254504 0.154859 Li\n0.494493 0.493016 0.504243 V\n0.008579 0.009891 0.995766 Fe\n0.088261 0.414489 0.229434 P\n0.902400 0.581576 0.774099 P\n0.297108 0.590954 0.348631 H\n0.694461 0.378353 0.657197 H\n0.429026 0.257033 0.714589 O\n0.893465 0.429723 0.378560 O\n0.070850 0.007996 0.650243 O\n0.552969 0.674844 0.074748 O\n0.972644 0.534293 0.130208 O\n0.978990 0.439774 0.891369 O\n0.442859 0.313777 0.926220 O\n0.948551 0.997926 0.343425 O\n0.115909 0.577924 0.619927 O\n0.560881 0.764600 0.283943 O\n",
"nsites": 17,
"nelements": 6,
"elements": [
"Li",
"V",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P-V",
"density": 3.1163938124770465,
"density_atomic": 0.09448013629589498,
"volume": 179.93200122784566,
"volume_molar": 6.373975521309291,
"formula_full": "Li1 V1 Fe1 P2 H2 O10",
"formula_reduced": "LiVFeP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -72.65182585,
"energy_per_atom": -4.273636814705882,
"energy_above_hull": null,
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"energy_uncorrected": -66.72782585,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.0083278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.461000Z",
"spacegroup": 1
},
{
"id": "mp-780440",
"created_at": "2022-09-04T14:46:42.092424Z",
"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n5.239848 0.000000 0.000000\n-2.454734 -5.439913 0.000000\n-2.466548 1.008518 -17.507494\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.146449 0.912474 0.231747 Li\n0.354882 0.588818 0.266610 Li\n0.100502 0.833933 0.518270 Li\n0.397739 0.662032 0.982839 Li\n0.600163 0.336632 0.016373 Li\n0.896318 0.163071 0.483024 Li\n0.648816 0.412745 0.733563 Li\n0.851560 0.087637 0.767064 Li\n0.357703 0.166831 0.396880 Mn\n0.598359 0.908370 0.144951 Fe\n0.648433 0.841114 0.605574 Fe\n0.144308 0.338094 0.104997 Fe\n0.906355 0.594153 0.352814 Fe\n0.102375 0.409776 0.645277 Fe\n0.849433 0.659223 0.894944 Fe\n0.396495 0.089179 0.855558 Fe\n0.487769 0.694864 0.435198 B\n0.235360 0.941855 0.684941 B\n0.014681 0.808612 0.065115 B\n0.733472 0.440250 0.183537 B\n0.264646 0.558940 0.815643 B\n0.984736 0.191819 0.934346 B\n0.765704 0.054783 0.314409 B\n0.514717 0.308944 0.566956 B\n0.540117 0.961144 0.255810 O\n0.254936 0.760567 0.066625 O\n0.000597 0.000621 0.315258 O\n0.997554 0.947516 0.126507 O\n0.709248 0.790018 0.494046 O\n0.793504 0.710853 0.006073 O\n0.503746 0.557706 0.373103 O\n0.251528 0.801675 0.623671 O\n0.494581 0.489580 0.182111 O\n0.244500 0.738416 0.434379 O\n0.248834 0.697674 0.877446 O\n0.955935 0.535981 0.242479 O\n0.043386 0.461353 0.756869 O\n0.748417 0.300273 0.122099 O\n0.753812 0.260068 0.567679 O\n0.505755 0.512180 0.816649 O\n0.756910 0.198586 0.375593 O\n0.501501 0.450546 0.628073 O\n0.206436 0.288918 0.993451 O\n0.289509 0.210541 0.508551 O\n0.000956 0.052573 0.872849 O\n0.996196 0.991405 0.682932 O\n0.744281 0.238976 0.932975 O\n0.456784 0.038681 0.744139 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
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"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2338195552756805,
"density_atomic": 0.09618483584342544,
"volume": 499.03916328491573,
"volume_molar": 6.261008512613305,
"formula_full": "Li8 Mn1 Fe7 B8 O24",
"formula_reduced": "Li8MnFe7(BO3)8",
"formula_anonymous": "AB7C8D8E24",
"energy": -369.07734364,
"energy_per_atom": -7.689111325833333,
"energy_above_hull": null,
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"energy_uncorrected": -335.12934364,
"band_gap": 2.6817,
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"updated_at": "2021-11-28T01:37:47.156000Z",
"spacegroup": 1
},
{
"id": "mp-1233567",
"created_at": "2022-09-04T14:46:42.179235Z",
"structure_string": "Ba2 Mg1 Al2 Fe8 O14\n1.0\n6.093053 -0.002697 0.179151\n-3.049563 5.400235 -0.329656\n0.304315 -0.456225 10.283799\nBa Mg Al Fe O\n2 1 2 8 14\ndirect\n0.628292 0.273521 0.550170 Ba\n0.285648 0.671969 0.963612 Ba\n0.898657 0.699069 0.365744 Mg\n0.652141 0.338020 0.880978 Al\n0.381420 0.689731 0.391077 Al\n0.848846 0.188724 0.181467 Fe\n0.610717 0.788051 0.677790 Fe\n0.143690 0.290952 0.707867 Fe\n0.655729 0.645205 0.146803 Fe\n0.367535 0.117926 0.192650 Fe\n0.145292 0.765564 0.663737 Fe\n0.077220 0.181396 0.421214 Fe\n0.013800 0.019807 0.943009 Fe\n0.820469 0.214881 0.997647 O\n0.711706 0.883353 0.479226 O\n0.276864 0.489828 0.542094 O\n0.826097 0.658789 0.983840 O\n0.371151 0.242695 0.016701 O\n0.217138 0.875392 0.476937 O\n0.968161 0.952190 0.747520 O\n0.993823 0.963128 0.243985 O\n0.518474 0.467720 0.310985 O\n0.940268 0.456644 0.759566 O\n0.482890 0.004816 0.774047 O\n0.480968 0.867752 0.231144 O\n0.493868 0.459759 0.773675 O\n0.022474 0.449372 0.325764 O\n",
"nsites": 27,
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"elements": [
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"Mg",
"Al",
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"O"
],
"chemical_system": "Al-Ba-Fe-Mg-O",
"density": 5.039109863677219,
"density_atomic": 0.08003997747962238,
"volume": 337.33142924576674,
"volume_molar": 7.523916109962919,
"formula_full": "Ba2 Mg1 Al2 Fe8 O14",
"formula_reduced": "Ba2MgAl2(Fe4O7)2",
"formula_anonymous": "AB2C2D8E14",
"energy": -203.71771464,
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"updated_at": "2021-11-28T01:37:45.636000Z",
"spacegroup": 1
},
{
"id": "mp-531963",
"created_at": "2022-09-04T14:46:56.963553Z",
"structure_string": "Ce14 Y18 O55\n1.0\n9.400421 0.000000 0.000000\n-3.144458 8.867373 0.000000\n-0.066871 -0.028596 15.331494\nCe Y O\n14 18 55\ndirect\n0.873692 0.152596 0.129642 Ce\n0.384636 0.626217 0.870818 Ce\n0.114390 0.871905 0.635390 Ce\n0.020032 0.494871 0.756001 Ce\n0.892993 0.134450 0.613793 Ce\n0.748185 0.745507 0.499896 Ce\n0.019147 0.513023 0.507566 Ce\n0.118034 0.874061 0.876606 Ce\n0.630586 0.356502 0.613630 Ce\n0.255644 0.255505 0.001900 Ce\n0.401241 0.636674 0.118552 Ce\n0.508709 0.007433 0.999948 Ce\n0.589414 0.360538 0.372889 Ce\n0.136842 0.863592 0.117214 Ce\n0.744557 0.745194 0.752550 Y\n0.882966 0.137199 0.888592 Y\n0.381920 0.659248 0.627709 Y\n0.525159 0.003994 0.496279 Y\n0.235817 0.243511 0.251622 Y\n0.378918 0.641240 0.388764 Y\n0.604434 0.350849 0.872590 Y\n0.478169 0.005034 0.747992 Y\n0.746001 0.760384 0.985547 Y\n0.023037 0.503827 0.000400 Y\n0.235814 0.240161 0.760349 Y\n0.107584 0.847007 0.371237 Y\n0.984232 0.512640 0.237139 Y\n0.233087 0.262176 0.481644 Y\n0.882760 0.097271 0.368730 Y\n0.731887 0.727309 0.260176 Y\n0.607482 0.363032 0.139245 Y\n0.525672 0.995957 0.255671 Y\n0.863202 0.397551 0.876213 O\n0.519860 0.780697 0.747472 O\n0.628488 0.111797 0.868956 O\n0.639718 0.602483 0.872726 O\n0.622258 0.585203 0.632378 O\n0.500289 0.269882 0.736699 O\n0.357820 0.900321 0.612771 O\n0.468919 0.240069 0.503713 O\n0.364050 0.893151 0.378117 O\n0.255999 0.998874 0.001439 O\n0.002073 0.280546 0.255214 O\n0.108742 0.596205 0.369703 O\n0.232551 0.994936 0.754092 O\n0.506264 0.762247 0.993366 O\n0.366681 0.366613 0.877628 O\n0.142381 0.135467 0.609586 O\n0.019145 0.765714 0.505281 O\n0.135526 0.095947 0.371427 O\n0.109170 0.089359 0.137989 O\n0.264220 0.493511 0.742548 O\n0.261556 0.501859 0.515431 O\n0.001971 0.769460 0.236136 O\n0.365707 0.876508 0.875115 O\n0.125406 0.121349 0.884495 O\n0.859336 0.397538 0.111827 O\n0.983175 0.744288 0.004531 O\n0.014256 0.261728 0.007005 O\n0.139339 0.623539 0.873697 O\n0.130105 0.634182 0.632602 O\n0.763094 0.475815 0.488251 O\n0.985210 0.229826 0.751367 O\n0.741422 0.479616 0.264987 O\n0.860714 0.893092 0.862748 O\n0.868664 0.888909 0.638727 O\n0.864263 0.849532 0.378150 O\n0.990638 0.269202 0.484019 O\n0.652523 0.631701 0.115323 O\n0.513855 0.264125 0.003709 O\n0.768511 0.997748 0.498075 O\n0.765175 0.982702 0.240112 O\n0.877569 0.389756 0.633954 O\n0.978208 0.720020 0.755242 O\n0.766886 0.001612 0.014959 O\n0.614190 0.614182 0.386006 O\n0.647789 0.118740 0.629850 O\n0.514272 0.761858 0.506550 O\n0.656704 0.148194 0.374524 O\n0.631052 0.129989 0.130163 O\n0.483786 0.725070 0.252404 O\n0.350538 0.392639 0.361223 O\n0.361676 0.388445 0.137853 O\n0.270352 0.508625 0.997135 O\n0.378445 0.888138 0.132292 O\n0.465146 0.214693 0.254656 O\n0.149070 0.618843 0.130483 O\n",
"nsites": 87,
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"elements": [
"Ce",
"Y",
"O"
],
"chemical_system": "Ce-O-Y",
"density": 5.771527299981678,
"density_atomic": 0.0680757593035992,
"volume": 1277.9879488674358,
"volume_molar": 8.846233698463655,
"formula_full": "Ce14 Y18 O55",
"formula_reduced": "Ce14Y18O55",
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"energy": -812.44992647,
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"energy_uncorrected": -774.66492647,
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"updated_at": "2021-11-28T01:37:45.069000Z",
"spacegroup": 1
},
{
"id": "mp-1234724",
"created_at": "2022-09-04T14:46:42.395649Z",
"structure_string": "Mg1 Co4 Te8 O20\n1.0\n7.217453 0.086719 0.005808\n0.124048 10.993038 -0.342415\n0.006152 -0.189761 6.309666\nMg Co Te O\n1 4 8 20\ndirect\n0.682701 0.615215 0.941075 Mg\n0.011665 0.052369 0.237804 Co\n0.996148 0.936026 0.728847 Co\n0.497558 0.554551 0.323438 Co\n0.479120 0.422145 0.763696 Co\n0.129144 0.336743 0.470579 Te\n0.151084 0.672592 0.000666 Te\n0.370167 0.147853 0.940116 Te\n0.380354 0.852941 0.502545 Te\n0.632065 0.159185 0.470658 Te\n0.614240 0.888126 0.991920 Te\n0.865887 0.654158 0.500987 Te\n0.879925 0.340571 0.996642 Te\n0.014771 0.429353 0.236263 O\n0.962985 0.581526 0.840112 O\n0.151632 0.057730 0.930551 O\n0.146881 0.927035 0.444632 O\n0.204475 0.196661 0.303928 O\n0.196237 0.791746 0.801660 O\n0.276461 0.293436 0.815328 O\n0.336115 0.704598 0.341638 O\n0.352601 0.426243 0.465637 O\n0.372518 0.573695 0.946129 O\n0.508313 0.942836 0.277079 O\n0.456467 0.078660 0.657983 O\n0.655787 0.437602 0.042444 O\n0.653792 0.571281 0.614838 O\n0.675562 0.288815 0.682210 O\n0.717401 0.664295 0.248273 O\n0.820242 0.208279 0.159625 O\n0.799018 0.807596 0.638956 O\n0.851770 0.070270 0.525158 O\n0.871199 0.928363 0.044002 O\n",
"nsites": 33,
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"elements": [
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],
"chemical_system": "Co-Mg-O-Te",
"density": 5.315592626366328,
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