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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10239",
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"results": [
{
"id": "mp-1233261",
"created_at": "2022-09-04T14:48:10.090816Z",
"structure_string": "Ca1 Mn8 O13 F3\n1.0\n4.713526 0.250951 -5.243931\n0.012489 5.771652 -0.271526\n4.620652 -0.228831 5.156769\nCa Mn O F\n1 8 13 3\ndirect\n0.866129 0.967692 0.699694 Ca\n0.354844 0.332985 0.116512 Mn\n0.124243 0.686963 0.382316 Mn\n0.872858 0.147601 0.141115 Mn\n0.368670 0.139975 0.623668 Mn\n0.254054 0.788777 0.948581 Mn\n0.593318 0.882780 0.334278 Mn\n0.616556 0.597632 0.867840 Mn\n0.937161 0.437755 0.671120 Mn\n0.145592 0.084261 0.070087 O\n0.151834 0.584409 0.108695 O\n0.520826 0.640864 0.125595 O\n0.102838 0.688568 0.662573 O\n0.332761 0.894771 0.415317 O\n0.112439 0.182578 0.670349 O\n0.584866 0.126434 0.157258 O\n0.439195 0.909821 0.815605 O\n0.610720 0.115612 0.538899 O\n0.878327 0.910752 0.339042 O\n0.413304 0.399474 0.829650 O\n0.703644 0.623425 0.623654 O\n0.807762 0.334683 0.898047 O\n0.318890 0.381817 0.417873 F\n0.930802 0.426367 0.355306 F\n0.818370 0.809242 0.966926 F\n",
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"elements": [
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"O",
"F"
],
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"volume": 279.5294621888305,
"volume_molar": 6.73346307147294,
"formula_full": "Ca1 Mn8 O13 F3",
"formula_reduced": "CaMn8O13F3",
"formula_anonymous": "AB3C8D13",
"energy": -196.03756604,
"energy_per_atom": -7.8415026416,
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"updated_at": "2021-11-28T01:38:24.668000Z",
"spacegroup": 1
},
{
"id": "mp-759388",
"created_at": "2022-09-04T14:48:09.754647Z",
"structure_string": "Ni4 P16 O44\n1.0\n22.473252 0.000000 0.000000\n0.000000 5.382192 0.000000\n0.000000 2.573554 7.005865\nNi P O\n4 16 44\ndirect\n0.886711 0.997685 0.873698 Ni\n0.613289 0.997685 0.373698 Ni\n0.386711 0.002315 0.626302 Ni\n0.113289 0.002315 0.126302 Ni\n0.572171 0.692682 0.814100 P\n0.194496 0.596249 0.967163 P\n0.178675 0.671434 0.549206 P\n0.965141 0.594615 0.711436 P\n0.927829 0.692682 0.314100 P\n0.305504 0.596249 0.467163 P\n0.465141 0.405385 0.788564 P\n0.678675 0.328566 0.950794 P\n0.321325 0.671434 0.049206 P\n0.534859 0.594615 0.211436 P\n0.694496 0.403751 0.532837 P\n0.072171 0.307318 0.685900 P\n0.034859 0.405385 0.288564 P\n0.821325 0.328566 0.450794 P\n0.805504 0.403751 0.032837 P\n0.427829 0.307318 0.185900 P\n0.345462 0.906546 0.899514 O\n0.575624 0.925551 0.639216 O\n0.545742 0.767762 0.983461 O\n0.955180 0.778341 0.816858 O\n0.837090 0.659161 0.979098 O\n0.154538 0.906546 0.399514 O\n0.194218 0.735779 0.733448 O\n0.318954 0.806601 0.547277 O\n0.436571 0.667791 0.744262 O\n0.265757 0.530510 0.996606 O\n0.636416 0.579972 0.887196 O\n0.924376 0.925551 0.139216 O\n0.954258 0.767762 0.483461 O\n0.544820 0.778341 0.316858 O\n0.037919 0.557657 0.699608 O\n0.662910 0.659161 0.479098 O\n0.305782 0.735779 0.233448 O\n0.181046 0.806601 0.047277 O\n0.537919 0.442343 0.800392 O\n0.063429 0.667791 0.244262 O\n0.234243 0.530510 0.496606 O\n0.863584 0.579972 0.387196 O\n0.136416 0.420028 0.612804 O\n0.765757 0.469490 0.503394 O\n0.936571 0.332209 0.755738 O\n0.462081 0.557657 0.199608 O\n0.818954 0.193399 0.952723 O\n0.694218 0.264221 0.766552 O\n0.337090 0.340839 0.520902 O\n0.962081 0.442343 0.300392 O\n0.455180 0.221659 0.683142 O\n0.045742 0.232238 0.516539 O\n0.075624 0.074449 0.860784 O\n0.363584 0.420028 0.112804 O\n0.734243 0.469490 0.003394 O\n0.563429 0.332209 0.255738 O\n0.681046 0.193399 0.452723 O\n0.805782 0.264221 0.266552 O\n0.845462 0.093454 0.600486 O\n0.162910 0.340839 0.020902 O\n0.044820 0.221659 0.183142 O\n0.454258 0.232238 0.016539 O\n0.424376 0.074449 0.360784 O\n0.654538 0.093454 0.100486 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 2.8106742661988173,
"density_atomic": 0.07552541172651146,
"volume": 847.3969030682459,
"volume_molar": 7.973661609164147,
"formula_full": "Ni4 P16 O44",
"formula_reduced": "NiP4O11",
"formula_anonymous": "AB4C11",
"energy": -482.58171464,
"energy_per_atom": -7.54033929125,
"energy_above_hull": null,
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"energy_uncorrected": -442.18971464,
"band_gap": 1.0541999999999998,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:26.794000Z",
"spacegroup": 14
},
{
"id": "mp-1044234",
"created_at": "2022-09-04T14:48:07.425543Z",
"structure_string": "Ni8 P8 O36\n1.0\n6.321533 0.000000 0.000000\n0.000000 7.760846 0.000000\n0.000000 0.000000 14.050746\nNi P O\n8 8 36\ndirect\n0.250000 0.853080 0.621782 Ni\n0.750000 0.146920 0.378218 Ni\n0.750000 0.353080 0.878218 Ni\n0.250000 0.646920 0.121782 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.750000 0.851521 0.561432 P\n0.250000 0.148479 0.438568 P\n0.250000 0.351521 0.938568 P\n0.750000 0.648479 0.061432 P\n0.250000 0.894284 0.811714 P\n0.750000 0.105716 0.188286 P\n0.750000 0.394284 0.688286 P\n0.250000 0.605716 0.311714 P\n0.952377 0.096718 0.129256 O\n0.452377 0.903282 0.870744 O\n0.047623 0.596718 0.370744 O\n0.547623 0.403282 0.629256 O\n0.047623 0.903282 0.870744 O\n0.547623 0.096718 0.129256 O\n0.952377 0.403282 0.629256 O\n0.452377 0.596718 0.370744 O\n0.750000 0.834901 0.017847 O\n0.250000 0.165099 0.982153 O\n0.250000 0.334901 0.482153 O\n0.750000 0.665099 0.517847 O\n0.250000 0.644806 0.546208 O\n0.750000 0.355194 0.453792 O\n0.750000 0.144806 0.953792 O\n0.250000 0.855194 0.046208 O\n0.250000 0.729122 0.746899 O\n0.750000 0.270878 0.253101 O\n0.750000 0.229122 0.753101 O\n0.250000 0.770878 0.246899 O\n0.560270 0.636420 0.130711 O\n0.060270 0.363580 0.869289 O\n0.439730 0.136420 0.369289 O\n0.939730 0.863580 0.630711 O\n0.439730 0.363580 0.869289 O\n0.939730 0.636420 0.130711 O\n0.560270 0.863580 0.630711 O\n0.060270 0.136420 0.369289 O\n0.250000 0.472277 0.227967 O\n0.750000 0.527723 0.772033 O\n0.750000 0.972277 0.272033 O\n0.250000 0.027723 0.727967 O\n0.250000 0.491918 0.013455 O\n0.750000 0.508082 0.986545 O\n0.750000 0.991918 0.486545 O\n0.250000 0.008082 0.513455 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 3.115464361829087,
"density_atomic": 0.07543492893335023,
"volume": 689.3358386529942,
"volume_molar": 7.983225867848038,
"formula_full": "Ni8 P8 O36",
"formula_reduced": "Ni2P2O9",
"formula_anonymous": "A2B2C9",
"energy": -353.90881977,
"energy_per_atom": -6.805938841730769,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -308.84881977,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.9968333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.261000Z",
"spacegroup": 62
},
{
"id": "mp-753126",
"created_at": "2022-09-04T14:48:07.427967Z",
"structure_string": "Li3 Fe3 Sn2 O10\n1.0\n5.215003 0.000000 0.000000\n1.180312 5.218787 0.000000\n2.124611 1.761296 7.660356\nLi Fe Sn O\n3 3 2 10\ndirect\n0.529619 0.795363 0.386723 Li\n0.000000 0.500000 0.500000 Li\n0.470381 0.204637 0.613277 Li\n0.500000 0.000000 0.000000 Fe\n0.029899 0.688839 0.104039 Fe\n0.970101 0.311161 0.895961 Fe\n0.011618 0.879963 0.696623 Sn\n0.988382 0.120037 0.303377 Sn\n0.228868 0.955390 0.867509 O\n0.790361 0.678516 0.940242 O\n0.772225 0.895293 0.520259 O\n0.268339 0.802447 0.218988 O\n0.184033 0.505324 0.678623 O\n0.815967 0.494676 0.321377 O\n0.731661 0.197553 0.781012 O\n0.227775 0.104707 0.479741 O\n0.209639 0.321484 0.059758 O\n0.771132 0.044610 0.132491 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-O-Sn",
"density": 4.66556901840473,
"density_atomic": 0.0863374897661006,
"volume": 208.4841712304159,
"volume_molar": 6.975116807675039,
"formula_full": "Li3 Fe3 Sn2 O10",
"formula_reduced": "Li3Fe3(SnO5)2",
"formula_anonymous": "A2B3C3D10",
"energy": -123.32936893,
"energy_per_atom": -6.851631607222222,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -109.69136892999998,
"band_gap": 1.6923000000000004,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:28.745000Z",
"spacegroup": 2
},
{
"id": "mp-1247582",
"created_at": "2022-09-04T14:48:07.430805Z",
"structure_string": "Sr1 Ca7 Ti3 Mn5 O21\n1.0\n7.930131 -0.034641 0.054316\n-0.033893 7.818560 -0.039260\n0.052060 -0.039612 7.796618\nSr Ca Ti Mn O\n1 7 3 5 21\ndirect\n0.244861 0.267135 0.250944 Sr\n0.266433 0.299203 0.724675 Ca\n0.220013 0.726539 0.278005 Ca\n0.242977 0.704773 0.741483 Ca\n0.773016 0.264964 0.280230 Ca\n0.707266 0.279509 0.744517 Ca\n0.730581 0.742062 0.259326 Ca\n0.739196 0.731872 0.732325 Ca\n0.028051 0.983478 0.985606 Ti\n0.001636 0.997961 0.521763 Ti\n0.495151 0.990495 0.985331 Ti\n0.986043 0.503935 0.021717 Mn\n0.994623 0.499481 0.514923 Mn\n0.509803 0.002188 0.467139 Mn\n0.493083 0.503503 0.994892 Mn\n0.499701 0.508152 0.493479 Mn\n0.967226 0.975051 0.762571 O\n0.006161 0.485948 0.267188 O\n0.993034 0.516468 0.770020 O\n0.581270 0.050002 0.189919 O\n0.592585 0.991840 0.766782 O\n0.496685 0.541242 0.744975 O\n0.257503 0.954710 0.977601 O\n0.221487 0.003813 0.419784 O\n0.244564 0.534752 0.015111 O\n0.257836 0.493919 0.499380 O\n0.794370 0.985679 0.429557 O\n0.732174 0.459686 0.035652 O\n0.739302 0.516566 0.489885 O\n0.984204 0.188911 0.079684 O\n0.994275 0.247458 0.535679 O\n0.955703 0.790419 0.085554 O\n0.022956 0.746577 0.515298 O\n0.450537 0.258185 0.951872 O\n0.506643 0.259801 0.508336 O\n0.535101 0.749082 0.025523 O\n0.483953 0.744642 0.433274 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 3.856023477612719,
"density_atomic": 0.07654685843149851,
"volume": 483.36405645061393,
"volume_molar": 7.867260503432926,
"formula_full": "Sr1 Ca7 Ti3 Mn5 O21",
"formula_reduced": "SrCa7Ti3Mn5O21",
"formula_anonymous": "AB3C5D7E21",
"energy": -296.42190291,
"energy_per_atom": -8.01140278135135,
"energy_above_hull": null,
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"energy_uncorrected": -273.65490291,
"band_gap": 0.0750000000000001,
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"total_magnetization": 21.0008656,
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"updated_at": "2021-11-28T01:38:30.190000Z",
"spacegroup": 1
},
{
"id": "mp-1304518",
"created_at": "2022-09-04T14:48:06.254223Z",
"structure_string": "Li10 Mn4 Fe6 O20\n1.0\n-1.109407 5.113572 -0.118917\n0.655975 -0.137060 14.313787\n5.137018 0.133788 0.037153\nLi Mn Fe O\n10 4 6 20\ndirect\n0.241457 0.250573 0.247798 Li\n0.754420 0.748010 0.754006 Li\n0.693105 0.208017 0.005072 Li\n0.190860 0.700762 0.517701 Li\n0.809525 0.300344 0.485215 Li\n0.309517 0.791453 0.996845 Li\n0.893884 0.389285 0.988384 Li\n0.411900 0.885922 0.490510 Li\n0.589259 0.113567 0.510797 Li\n0.108171 0.614717 0.003834 Li\n0.347442 0.345863 0.752742 Mn\n0.867887 0.845740 0.249157 Mn\n0.131832 0.154389 0.751957 Mn\n0.653859 0.653161 0.249062 Mn\n0.003395 0.501561 0.501938 Fe\n0.446464 0.446825 0.245058 Fe\n0.551271 0.554015 0.752729 Fe\n0.499913 0.000106 0.000445 Fe\n0.955469 0.944649 0.746403 Fe\n0.044371 0.055100 0.254368 Fe\n0.681031 0.427832 0.607520 O\n0.155456 0.926702 0.126046 O\n0.844693 0.074153 0.874569 O\n0.308442 0.567447 0.366378 O\n0.224360 0.463419 0.868190 O\n0.750661 0.967165 0.372864 O\n0.249136 0.033686 0.628032 O\n0.759699 0.528328 0.150111 O\n0.013444 0.262310 0.865469 O\n0.579422 0.778354 0.355508 O\n0.422917 0.221732 0.647485 O\n0.986696 0.738240 0.134092 O\n0.342407 0.119830 0.107831 O\n0.872792 0.623007 0.602664 O\n0.144341 0.378753 0.392856 O\n0.657591 0.880994 0.892909 O\n0.558403 0.330367 0.106579 O\n0.078169 0.833401 0.600462 O\n0.923082 0.167683 0.399150 O\n0.443259 0.672539 0.897262 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.148873920615582,
"density_atomic": 0.10584439215893233,
"volume": 377.91326667488784,
"volume_molar": 5.689617217468979,
"formula_full": "Li10 Mn4 Fe6 O20",
"formula_reduced": "Li5Mn2Fe3O10",
"formula_anonymous": "A2B3C5D10",
"energy": -285.15351903,
"energy_per_atom": -7.12883797575,
"energy_above_hull": null,
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"energy_uncorrected": -251.20551903,
"band_gap": 0.0009000000000001,
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"is_magnetic": true,
"total_magnetization": 13.9797753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.270000Z",
"spacegroup": 1
},
{
"id": "mp-772518",
"created_at": "2022-09-04T14:48:09.765536Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n5.160020 0.000000 0.000000\n-0.031334 8.960553 0.000000\n-0.028433 -0.056026 13.624788\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.239791 0.083059 0.875038 Na\n0.239796 0.082050 0.375753 Na\n0.751835 0.258592 0.999337 Na\n0.752323 0.258922 0.750813 Na\n0.751986 0.258754 0.498814 Na\n0.752256 0.258524 0.250979 Na\n0.247328 0.741074 0.747625 Na\n0.247655 0.741824 0.250173 Na\n0.247724 0.741556 0.001214 Na\n0.760146 0.915850 0.623110 Na\n0.240131 0.733162 0.503489 Li\n0.755761 0.914566 0.125114 Li\n0.221884 0.361913 0.624831 Mn\n0.222475 0.361548 0.125315 Mn\n0.777543 0.639785 0.875142 Mn\n0.778753 0.640821 0.376117 Mn\n0.299016 0.413282 0.376469 P\n0.297814 0.410850 0.875166 P\n0.702785 0.590899 0.623520 P\n0.702529 0.593530 0.125291 P\n0.263625 0.056822 0.622449 C\n0.265240 0.054967 0.125220 C\n0.734784 0.939141 0.376297 C\n0.735546 0.940123 0.874731 C\n0.714455 0.084707 0.874750 O\n0.713232 0.083822 0.374811 O\n0.029312 0.107205 0.125007 O\n0.037331 0.120433 0.624623 O\n0.462678 0.146596 0.125361 O\n0.470542 0.140810 0.625182 O\n0.214667 0.318591 0.966631 O\n0.215174 0.318698 0.783071 O\n0.216643 0.318639 0.466916 O\n0.211068 0.323400 0.283918 O\n0.599411 0.428014 0.875462 O\n0.600923 0.428282 0.374935 O\n0.818112 0.430948 0.625149 O\n0.824658 0.434870 0.124945 O\n0.177290 0.569116 0.875034 O\n0.183363 0.573431 0.380575 O\n0.399437 0.577345 0.618546 O\n0.401545 0.572878 0.125240 O\n0.780816 0.681550 0.716696 O\n0.799770 0.682001 0.533871 O\n0.785131 0.687992 0.216365 O\n0.783471 0.687959 0.034488 O\n0.528918 0.856240 0.874336 O\n0.528321 0.854865 0.377849 O\n0.962637 0.877900 0.874785 O\n0.962380 0.877436 0.376349 O\n0.306738 0.912554 0.125324 O\n0.283256 0.912105 0.617779 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.855901278360262,
"density_atomic": 0.08254435766217486,
"volume": 629.9643182495621,
"volume_molar": 7.295641919762115,
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