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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=11537",
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"results": [
{
"id": "mp-1100503",
"created_at": "2022-09-04T14:48:22.728923Z",
"structure_string": "Li9 Mn7 O16\n1.0\n3.021966 0.054768 0.253742\n0.036753 19.509943 -1.760162\n-0.075739 0.038879 5.111269\nLi Mn O\n9 7 16\ndirect\n0.943936 0.132775 0.701526 Li\n0.320320 0.368853 0.565716 Li\n0.687747 0.624609 0.437795 Li\n0.062253 0.875391 0.312205 Li\n0.429680 0.131147 0.184284 Li\n0.806064 0.367225 0.048474 Li\n0.187208 0.624727 0.936997 Li\n0.562792 0.875273 0.813003 Li\n0.375000 0.250000 0.875000 Li\n0.996923 0.000805 0.999438 Mn\n0.875000 0.250000 0.375000 Mn\n0.753077 0.499195 0.750562 Mn\n0.125034 0.749975 0.624940 Mn\n0.496472 0.000534 0.499377 Mn\n0.253528 0.499466 0.250623 Mn\n0.624966 0.750025 0.125060 Mn\n0.444196 0.057624 0.833297 O\n0.837203 0.309007 0.693517 O\n0.192237 0.558397 0.584492 O\n0.565935 0.808191 0.458598 O\n0.949506 0.056056 0.337059 O\n0.384887 0.303660 0.240743 O\n0.696188 0.558040 0.084514 O\n0.066115 0.808208 0.958320 O\n0.365113 0.196340 0.509257 O\n0.800494 0.443944 0.412941 O\n0.184065 0.691809 0.291402 O\n0.557763 0.941603 0.165508 O\n0.912797 0.190993 0.056483 O\n0.305804 0.442376 0.916703 O\n0.683885 0.691792 0.791680 O\n0.053812 0.941960 0.665486 O\n",
"nsites": 32,
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"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.866448151655944,
"density_atomic": 0.10598437933297153,
"volume": 301.9312864914317,
"volume_molar": 5.682102209685277,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -227.76073672,
"energy_per_atom": -7.1175230225,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:19.044000Z",
"spacegroup": 2
},
{
"id": "mp-1176894",
"created_at": "2022-09-04T14:43:23.086640Z",
"structure_string": "Li14 Mn6 P6 C6 O42\n1.0\n19.537579 0.000000 0.000000\n0.000000 5.064237 0.000000\n0.000000 0.685032 8.416028\nLi Mn P C O\n14 6 6 6 42\ndirect\n0.750000 0.763350 0.091631 Li\n0.341100 0.244746 0.261809 Li\n0.672871 0.247722 0.263537 Li\n0.004237 0.237361 0.250742 Li\n0.827129 0.247722 0.263537 Li\n0.158900 0.244746 0.261809 Li\n0.495763 0.237361 0.250742 Li\n0.995763 0.762639 0.749258 Li\n0.658900 0.755254 0.738191 Li\n0.504237 0.762639 0.749258 Li\n0.327129 0.752278 0.736463 Li\n0.841100 0.755254 0.738191 Li\n0.172871 0.752278 0.736463 Li\n0.250000 0.236650 0.908369 Li\n0.583212 0.776762 0.338714 Mn\n0.250000 0.782331 0.340993 Mn\n0.916788 0.776762 0.338714 Mn\n0.416788 0.223238 0.661286 Mn\n0.083212 0.223238 0.661286 Mn\n0.750000 0.217669 0.659007 Mn\n0.416315 0.727985 0.420510 P\n0.750000 0.717564 0.413174 P\n0.083685 0.727985 0.420510 P\n0.583685 0.272015 0.579490 P\n0.250000 0.282436 0.586826 P\n0.916315 0.272015 0.579490 P\n0.917879 0.701795 0.047641 C\n0.582121 0.701795 0.047641 C\n0.250000 0.700134 0.035529 C\n0.417879 0.298205 0.952359 C\n0.750000 0.299866 0.964471 C\n0.082121 0.298205 0.952359 C\n0.581832 0.930921 0.113299 O\n0.918168 0.930921 0.113299 O\n0.250000 0.943613 0.070764 O\n0.417092 0.309672 0.100999 O\n0.750000 0.361341 0.111188 O\n0.082908 0.309672 0.100999 O\n0.582727 0.497328 0.152113 O\n0.917273 0.497328 0.152113 O\n0.250000 0.509496 0.149570 O\n0.354748 0.834336 0.323054 O\n0.481030 0.824587 0.328782 O\n0.145252 0.834336 0.323054 O\n0.688013 0.826088 0.310638 O\n0.811987 0.826088 0.310638 O\n0.018970 0.824587 0.328782 O\n0.584558 0.176717 0.409364 O\n0.915442 0.176717 0.409364 O\n0.250000 0.188282 0.418089 O\n0.414804 0.412973 0.441865 O\n0.750000 0.409823 0.423802 O\n0.085196 0.412973 0.441865 O\n0.914804 0.587027 0.558135 O\n0.250000 0.590177 0.576198 O\n0.585196 0.587027 0.558135 O\n0.084558 0.823283 0.590636 O\n0.415442 0.823283 0.590636 O\n0.750000 0.811718 0.581911 O\n0.854748 0.165664 0.676946 O\n0.311987 0.173912 0.689362 O\n0.645252 0.165664 0.676946 O\n0.188013 0.173912 0.689362 O\n0.518970 0.175413 0.671218 O\n0.981030 0.175413 0.671218 O\n0.082727 0.502672 0.847887 O\n0.417273 0.502672 0.847887 O\n0.750000 0.490504 0.850430 O\n0.582908 0.690328 0.899001 O\n0.917092 0.690328 0.899001 O\n0.250000 0.638659 0.888812 O\n0.418168 0.069079 0.886701 O\n0.750000 0.056387 0.929236 O\n0.081832 0.069079 0.886701 O\n",
"nsites": 74,
"nelements": 5,
"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.7054269340359967,
"density_atomic": 0.08886684850437576,
"volume": 832.706473172122,
"volume_molar": 6.776588639467139,
"formula_full": "Li14 Mn6 P6 C6 O42",
"formula_reduced": "Li7Mn3P3(CO7)3",
"formula_anonymous": "A3B3C3D7E21",
"energy": -551.84702523,
"energy_per_atom": -7.4573922328378375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -512.98502523,
"band_gap": 0.3777999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9980996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.642000Z",
"spacegroup": 11
},
{
"id": "mp-1100536",
"created_at": "2022-09-04T14:47:27.525937Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.086499 0.000000 0.000000\n0.599782 5.300059 0.000000\n1.831148 0.365747 10.995913\nLi Mn O\n9 7 16\ndirect\n0.319304 0.241104 0.686443 Li\n0.420910 0.753485 0.558676 Li\n0.182324 0.750293 0.811950 Li\n0.064375 0.253142 0.938295 Li\n0.935625 0.746858 0.061705 Li\n0.817676 0.249707 0.188050 Li\n0.680696 0.758896 0.313557 Li\n0.579090 0.246515 0.441324 Li\n0.000000 0.500000 0.500000 Li\n0.875316 0.999546 0.623715 Mn\n0.124684 0.000454 0.376285 Mn\n0.248652 0.499495 0.253529 Mn\n0.374570 0.999741 0.125734 Mn\n0.500000 0.500000 0.000000 Mn\n0.625430 0.000259 0.874266 Mn\n0.751348 0.500505 0.746471 Mn\n0.548879 0.892032 0.718908 O\n0.682588 0.341100 0.603156 O\n0.419708 0.394925 0.844655 O\n0.294681 0.897012 0.970523 O\n0.171511 0.394249 0.096026 O\n0.044603 0.890909 0.223045 O\n0.946444 0.339123 0.344040 O\n0.798670 0.896987 0.471001 O\n0.053556 0.660877 0.655960 O\n0.201330 0.103013 0.528999 O\n0.955397 0.109091 0.776955 O\n0.828489 0.605751 0.903974 O\n0.705319 0.102988 0.029477 O\n0.580292 0.605075 0.155345 O\n0.451121 0.107968 0.281092 O\n0.317412 0.658900 0.396844 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.938123627227351,
"density_atomic": 0.10794909746544609,
"volume": 296.43601244783935,
"volume_molar": 5.578685604043752,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -229.07462991,
"energy_per_atom": -7.1585821846875,
"energy_above_hull": null,
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"energy_uncorrected": -206.40662991,
"band_gap": 0.9337,
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"is_magnetic": true,
"total_magnetization": 25.99816,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.209000Z",
"spacegroup": 2
},
{
"id": "mp-1189122",
"created_at": "2022-09-04T14:46:38.017257Z",
"structure_string": "K6 Yb2 N12\n1.0\n5.359931 3.094558 4.871230\n-5.359931 3.094558 4.871230\n0.000000 -6.189116 4.871230\nK Yb N\n6 2 12\ndirect\n0.662679 0.000000 0.337321 K\n0.337321 0.662679 0.000000 K\n0.000000 0.337321 0.662679 K\n0.843606 0.500000 0.156394 K\n0.156394 0.843606 0.500000 K\n0.500000 0.156394 0.843606 K\n0.746994 0.746994 0.746994 Yb\n0.253006 0.253006 0.253006 Yb\n0.679803 0.461381 0.846783 N\n0.846783 0.679803 0.461381 N\n0.461381 0.846783 0.679803 N\n0.153217 0.538619 0.320197 N\n0.538619 0.320197 0.153217 N\n0.320197 0.153217 0.538619 N\n0.640330 0.835537 0.021115 N\n0.021115 0.640330 0.835537 N\n0.835537 0.021115 0.640330 N\n0.978885 0.164463 0.359670 N\n0.164463 0.359670 0.978885 N\n0.359670 0.978885 0.164463 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Yb",
"N"
],
"chemical_system": "K-N-Yb",
"density": 2.564710424000536,
"density_atomic": 0.04125554073256472,
"volume": 484.7833683637351,
"volume_molar": 14.597168411966722,
"formula_full": "K6 Yb2 N12",
"formula_reduced": "K3YbN6",
"formula_anonymous": "AB3C6",
"energy": -80.17351036999999,
"energy_per_atom": -4.0086755185,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:38.806000Z",
"spacegroup": 155
},
{
"id": "mp-781607",
"created_at": "2022-09-04T14:45:22.316005Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n5.230714 0.000000 0.000000\n0.213734 6.190206 0.000000\n2.530568 1.590018 11.423101\nLi Mn B O\n2 6 6 18\ndirect\n0.857104 0.130930 0.461392 Li\n0.190596 0.463245 0.794959 Li\n0.003300 0.031899 0.789298 Mn\n0.646694 0.613565 0.882023 Mn\n0.319821 0.290330 0.546286 Mn\n0.683904 0.708039 0.450852 Mn\n0.331888 0.377587 0.128305 Mn\n0.000218 0.953212 0.202064 Mn\n0.748895 0.411988 0.663446 B\n0.070636 0.726652 0.999205 B\n0.418199 0.092995 0.331050 B\n0.581953 0.924497 0.671573 B\n0.918784 0.260210 0.001001 B\n0.256882 0.588555 0.334247 B\n0.674052 0.353180 0.995238 O\n0.090601 0.209540 0.907011 O\n0.000238 0.359082 0.677549 O\n0.561337 0.477313 0.752274 O\n0.682788 0.384758 0.556650 O\n0.010950 0.708471 0.890072 O\n0.668194 0.027497 0.340984 O\n0.632979 0.894511 0.785782 O\n0.229572 0.144149 0.423657 O\n0.760178 0.874775 0.578455 O\n0.338151 0.090480 0.223974 O\n0.345252 0.028932 0.659584 O\n0.992114 0.242082 0.110669 O\n0.312526 0.572580 0.446411 O\n0.433025 0.508933 0.248322 O\n0.026336 0.695043 0.316823 O\n0.899895 0.818755 0.081646 O\n0.311742 0.640058 0.016013 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.126340179438804,
"density_atomic": 0.0865166878799108,
"volume": 369.8708397669764,
"volume_molar": 6.96066956280043,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.52319391000003,
"energy_per_atom": -8.266349809687501,
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"energy_uncorrected": -242.14919391,
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"updated_at": "2021-11-28T01:37:09.956000Z",
"spacegroup": 1
},
{
"id": "mp-765733",
"created_at": "2022-09-04T14:47:11.717049Z",
"structure_string": "Mn8 O14 F2\n1.0\n8.951770 0.109851 0.000000\n0.061444 5.494241 0.000000\n0.000000 0.000000 4.967757\nMn O F\n8 14 2\ndirect\n0.004209 0.165135 0.259626 Mn\n0.000676 0.848277 0.736222 Mn\n0.245791 0.334865 0.759626 Mn\n0.249324 0.651723 0.236222 Mn\n0.509980 0.867481 0.756236 Mn\n0.499120 0.143778 0.249648 Mn\n0.750880 0.356222 0.749648 Mn\n0.740020 0.632519 0.256236 Mn\n0.109974 0.108159 0.923663 O\n0.115647 0.889196 0.411268 O\n0.140026 0.391841 0.423663 O\n0.134353 0.610804 0.911268 O\n0.367885 0.385328 0.076155 O\n0.386520 0.110298 0.579731 O\n0.388238 0.893050 0.074109 O\n0.620345 0.112214 0.925881 O\n0.618974 0.889265 0.424574 O\n0.629655 0.387786 0.425881 O\n0.631026 0.610735 0.924574 O\n0.863480 0.389702 0.079731 O\n0.861762 0.606950 0.574109 O\n0.882115 0.114672 0.576155 O\n0.373698 0.623171 0.582885 F\n0.876302 0.876829 0.082885 F\n",
"nsites": 24,
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"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.768205173776547,
"density_atomic": 0.09824125047958304,
"volume": 244.29656465934127,
"volume_molar": 6.129951248179145,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy": -191.73147699,
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"is_magnetic": true,
"total_magnetization": 25.9984543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.411000Z",
"spacegroup": 4
},
{
"id": "mp-782669",
"created_at": "2022-09-04T14:46:34.335348Z",
"structure_string": "Mn8 O14 F2\n1.0\n10.989920 0.000000 0.000000\n0.000000 4.470310 0.000000\n0.000000 0.018233 4.979197\nMn O F\n8 14 2\ndirect\n0.666382 0.013818 0.752342 Mn\n0.333618 0.013818 0.252342 Mn\n0.822030 0.005693 0.235015 Mn\n0.177970 0.005693 0.735015 Mn\n0.067369 0.484517 0.260143 Mn\n0.425979 0.509083 0.753007 Mn\n0.574021 0.509083 0.253007 Mn\n0.932631 0.484517 0.760143 Mn\n0.305335 0.234649 0.919593 O\n0.694665 0.234649 0.419593 O\n0.806923 0.230533 0.913943 O\n0.193077 0.230533 0.413943 O\n0.448001 0.278857 0.429500 O\n0.551999 0.278857 0.929500 O\n0.944387 0.256384 0.425936 O\n0.055613 0.256384 0.925936 O\n0.445157 0.738172 0.080504 O\n0.554843 0.738172 0.580504 O\n0.944146 0.723981 0.079617 O\n0.055854 0.723981 0.579617 O\n0.306073 0.770501 0.573297 O\n0.693927 0.770501 0.073297 O\n0.810748 0.753813 0.577104 F\n0.189252 0.753813 0.077104 F\n",
"nsites": 24,
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"elements": [
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"O",
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],
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"density": 4.761905945828241,
"density_atomic": 0.09811146495061694,
"volume": 244.619729326028,
"volume_molar": 6.138060177810169,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy": -191.63092651,
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"updated_at": "2021-11-28T01:37:33.150000Z",
"spacegroup": 7
},
{
"id": "mp-555830",
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