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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10218",
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"results": [
{
"id": "mp-1174799",
"created_at": "2022-09-04T14:43:15.388646Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.909583 0.000000 0.000000\n1.454791 10.357158 2.086983\n0.000000 0.066679 8.416507\nLi Mn Co O\n8 2 4 14\ndirect\n0.428507 0.142986 0.219174 Li\n0.289608 0.420784 0.636169 Li\n0.144419 0.711162 0.075817 Li\n0.995694 0.008611 0.514454 Li\n0.860590 0.278821 0.914528 Li\n0.714532 0.570937 0.357907 Li\n0.564897 0.870206 0.781841 Li\n0.430086 0.139827 0.712280 Li\n0.998545 0.002910 0.987437 Mn\n0.714645 0.570712 0.859220 Mn\n0.860987 0.278025 0.455684 Co\n0.570557 0.858886 0.283651 Co\n0.289894 0.420211 0.155339 Co\n0.141113 0.717774 0.569521 Co\n0.436443 0.127114 0.968486 O\n0.288224 0.423552 0.387429 O\n0.152032 0.695937 0.832274 O\n0.005105 0.989791 0.234991 O\n0.855156 0.289686 0.666371 O\n0.719262 0.561476 0.092269 O\n0.576767 0.846466 0.531983 O\n0.424881 0.150238 0.459730 O\n0.277753 0.444495 0.887085 O\n0.137602 0.724797 0.316048 O\n0.001374 0.997251 0.770548 O\n0.851453 0.297094 0.175749 O\n0.706230 0.587540 0.621733 O\n0.563645 0.872709 0.032284 O\n",
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"elements": [
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"Co",
"O"
],
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"density": 4.099293240516481,
"density_atomic": 0.11057288524137474,
"volume": 253.22663814801874,
"volume_molar": 5.446308782531981,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.36810491,
"energy_per_atom": -6.513146603928571,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.329000Z",
"spacegroup": 8
},
{
"id": "mp-1176025",
"created_at": "2022-09-04T14:44:00.738871Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.105252 0.000000 0.000000\n0.134753 5.879946 0.000000\n1.824767 0.438658 9.567401\nLi Mn Co O\n9 2 5 16\ndirect\n0.501143 0.246869 0.999441 Li\n0.258368 0.496001 0.254994 Li\n0.507929 0.756637 0.004841 Li\n0.247514 0.004054 0.254389 Li\n0.750040 0.004669 0.746512 Li\n0.745919 0.491432 0.742965 Li\n0.991606 0.744132 0.496224 Li\n0.997169 0.251127 0.499889 Li\n0.744422 0.247903 0.252129 Li\n0.996487 0.005934 0.005628 Mn\n0.998193 0.501627 0.004953 Mn\n0.506616 0.493328 0.492911 Co\n0.254925 0.754079 0.748860 Co\n0.750984 0.748668 0.250722 Co\n0.501278 0.996981 0.494610 Co\n0.251102 0.254523 0.746908 Co\n0.345473 0.006812 0.876356 O\n0.117063 0.242751 0.110012 O\n0.355465 0.510298 0.872754 O\n0.103897 0.773257 0.131962 O\n0.608038 0.754899 0.615409 O\n0.615133 0.260051 0.623411 O\n0.857910 0.515676 0.366723 O\n0.834491 0.972467 0.369383 O\n0.656048 0.523740 0.130494 O\n0.402225 0.729798 0.364640 O\n0.654846 0.987158 0.125857 O\n0.377245 0.233499 0.388060 O\n0.880594 0.233901 0.880129 O\n0.896158 0.763325 0.889207 O\n0.152985 0.996054 0.627254 O\n0.138732 0.498349 0.632371 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.180264634860928,
"density_atomic": 0.11142059659923773,
"volume": 287.20004179387894,
"volume_molar": 5.404872118626944,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.38904622,
"energy_per_atom": -6.512157694375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -185.87104622,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 10.0003592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.051000Z",
"spacegroup": 1
},
{
"id": "mp-1395180",
"created_at": "2022-09-04T14:41:29.708778Z",
"structure_string": "Ca1 Mn4 S8\n1.0\n6.973002 -3.355108 0.000000\n6.973002 3.355108 0.000000\n5.358669 0.000000 5.582488\nCa Mn S\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Ca\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 Mn\n0.266212 0.769487 0.769487 S\n0.230513 0.230513 0.733788 S\n0.733788 0.230513 0.230513 S\n0.230513 0.733788 0.230513 S\n0.268068 0.268068 0.268068 S\n0.731932 0.731932 0.731932 S\n0.769487 0.266212 0.769487 S\n0.769487 0.769487 0.266212 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Mn",
"S"
],
"chemical_system": "Ca-Mn-S",
"density": 3.2825348230811984,
"density_atomic": 0.04976904005211432,
"volume": 261.2065650932266,
"volume_molar": 12.100174634057792,
"formula_full": "Ca1 Mn4 S8",
"formula_reduced": "Ca(MnS2)4",
"formula_anonymous": "AB4C8",
"energy": -86.09091346,
"energy_per_atom": -6.622377958461538,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -82.06691346,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 10.0003631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.712000Z",
"spacegroup": 166
},
{
"id": "mp-1174737",
"created_at": "2022-09-04T14:42:56.578831Z",
"structure_string": "Li5 Mn3 O8\n1.0\n5.054441 0.000000 0.000000\n1.647111 5.532270 0.000000\n1.609705 2.526031 5.100280\nLi Mn O\n5 3 8\ndirect\n0.506013 0.753214 0.250149 Li\n0.490730 0.763364 0.738726 Li\n0.493987 0.246786 0.749851 Li\n0.509270 0.236636 0.261274 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.775928 0.861827 0.888847 O\n0.779716 0.867349 0.352593 O\n0.780538 0.391681 0.351276 O\n0.765333 0.356484 0.903522 O\n0.219462 0.608319 0.648724 O\n0.234667 0.643516 0.096478 O\n0.224072 0.138173 0.111153 O\n0.220284 0.132651 0.647407 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.813369536834703,
"density_atomic": 0.11218879016651617,
"volume": 142.61674429550408,
"volume_molar": 5.3678631805028285,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -110.90735677,
"energy_per_atom": -6.931709798125,
"energy_above_hull": null,
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"energy_uncorrected": -100.40735677,
"band_gap": 0.827,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.854000Z",
"spacegroup": 2
},
{
"id": "mp-1177996",
"created_at": "2022-09-04T14:48:26.489330Z",
"structure_string": "Li2 Mg1 Cr3 S6 O24\n1.0\n8.391882 0.000000 0.000000\n4.175016 7.349927 0.000000\n4.039182 2.478847 7.605129\nLi Mg Cr S O\n2 1 3 6 24\ndirect\n0.182145 0.764556 0.626249 Li\n0.761992 0.428458 0.623810 Li\n0.163403 0.156912 0.539112 Mg\n0.846164 0.852737 0.450869 Cr\n0.641283 0.646386 0.068471 Cr\n0.357501 0.344377 0.939931 Cr\n0.033343 0.466810 0.751815 S\n0.543176 0.255562 0.249224 S\n0.250771 0.946460 0.253840 S\n0.759209 0.032449 0.743946 S\n0.462679 0.754666 0.745995 S\n0.949322 0.547435 0.252843 S\n0.002556 0.345737 0.697364 O\n0.022720 0.659169 0.608763 O\n0.358683 0.281624 0.387313 O\n0.049150 0.968460 0.295196 O\n0.491209 0.695458 0.917652 O\n0.227269 0.382152 0.769391 O\n0.678556 0.053353 0.294994 O\n0.382562 0.752839 0.234034 O\n0.293884 0.095878 0.091726 O\n0.097022 0.516995 0.091506 O\n0.629117 0.385514 0.228936 O\n0.271968 0.957911 0.405663 O\n0.721251 0.019417 0.602927 O\n0.379815 0.629089 0.754100 O\n0.886847 0.496808 0.917444 O\n0.697731 0.895543 0.915488 O\n0.645921 0.230820 0.752304 O\n0.339199 0.954960 0.697315 O\n0.752793 0.630234 0.233346 O\n0.521507 0.298233 0.078321 O\n0.965861 0.995623 0.700307 O\n0.656837 0.713057 0.607921 O\n0.960991 0.365354 0.404173 O\n0.968963 0.684160 0.298913 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Mg",
"Cr",
"S",
"O"
],
"chemical_system": "Cr-Li-Mg-O-S",
"density": 2.7277304402287403,
"density_atomic": 0.07674560631809728,
"volume": 469.08222798822146,
"volume_molar": 7.846886680443005,
"formula_full": "Li2 Mg1 Cr3 S6 O24",
"formula_reduced": "Li2MgCr3(SO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -254.21934384,
"energy_per_atom": -7.06164844,
"energy_above_hull": null,
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"energy_uncorrected": -231.73434384,
"band_gap": 0.8518000000000003,
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"updated_at": "2021-11-28T01:39:12.763000Z",
"spacegroup": 1
},
{
"id": "mp-1247080",
"created_at": "2022-09-04T14:41:11.544918Z",
"structure_string": "Mg2 V2 Cr2 S8\n1.0\n6.161073 0.000641 3.558431\n2.025420 5.951733 3.608488\n-0.075793 0.007685 7.248184\nMg V Cr S\n2 2 2 8\ndirect\n0.873687 0.876227 0.876214 Mg\n0.126318 0.123802 0.123768 Mg\n0.499956 0.500023 0.499976 V\n0.000028 0.499996 0.500010 V\n0.500016 0.499962 0.000004 Cr\n0.500010 0.999974 0.500058 Cr\n0.737063 0.737147 0.737139 S\n0.264758 0.256777 0.713632 S\n0.264745 0.713643 0.256776 S\n0.711238 0.262907 0.262878 S\n0.735225 0.286391 0.743179 S\n0.288767 0.737100 0.737109 S\n0.262936 0.262843 0.262874 S\n0.735257 0.743203 0.286384 S\n",
"nsites": 14,
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"elements": [
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"V",
"Cr",
"S"
],
"chemical_system": "Cr-Mg-S-V",
"density": 3.1749254330161465,
"density_atomic": 0.05238261178835057,
"volume": 267.26426044898886,
"volume_molar": 11.496449975293658,
"formula_full": "Mg2 V2 Cr2 S8",
"formula_reduced": "MgVCrS4",
"formula_anonymous": "ABCD4",
"energy": -91.07330453,
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"updated_at": "2021-11-28T01:35:16.173000Z",
"spacegroup": 74
},
{
"id": "mp-1444973",
"created_at": "2022-09-04T14:46:13.877231Z",
"structure_string": "Zn1 Cr4 S8\n1.0\n6.376849 -3.400435 0.000000\n6.376849 3.400435 0.000000\n4.563578 0.000000 5.603653\nZn Cr S\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.263903 0.756629 0.756629 S\n0.243371 0.243371 0.736097 S\n0.736097 0.243371 0.243371 S\n0.243371 0.736097 0.243371 S\n0.261125 0.261125 0.261125 S\n0.738875 0.738875 0.738875 S\n0.756629 0.263903 0.756629 S\n0.756629 0.756629 0.263903 S\n",
"nsites": 13,
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"elements": [
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"Cr",
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],
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"density": 3.620863544719986,
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"volume": 243.01990167455517,
"volume_molar": 11.257692733581008,
"formula_full": "Zn1 Cr4 S8",
"formula_reduced": "Zn(CrS2)4",
"formula_anonymous": "AB4C8",
"energy": -84.52420211,
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"updated_at": "2021-11-28T01:37:29.872000Z",
"spacegroup": 166
},
{
"id": "mp-1520482",
"created_at": "2022-09-04T14:46:14.745896Z",
"structure_string": "K1 Eu1 Fe1 Sn1 O6\n1.0\n-0.000000 -4.013220 -4.013220\n4.013220 0.000000 -4.013220\n4.013220 -4.013220 0.000000\nK Eu Fe Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Sn\n0.755494 0.244506 0.244506 O\n0.244506 0.755494 0.755494 O\n0.755494 0.244506 0.755494 O\n0.244506 0.755494 0.244506 O\n0.755494 0.755494 0.244506 O\n0.244506 0.244506 0.755494 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Fe",
"Sn",
"O"
],
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"density": 5.929511117118586,
"density_atomic": 0.07735548272855207,
"volume": 129.27331906247647,
"volume_molar": 7.785021239066246,
"formula_full": "K1 Eu1 Fe1 Sn1 O6",
"formula_reduced": "KEuFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -73.55420859,
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"updated_at": "2021-11-28T01:37:29.120000Z",
"spacegroup": 216
},
{
"id": "mp-1244594",
"created_at": "2022-09-04T14:46:26.781269Z",
"structure_string": "La8 Mn2 S12 O2\n1.0\n9.498228 -0.007714 -0.003969\n-4.755786 8.226965 0.005207\n-0.002826 0.002666 6.797361\nLa Mn S O\n8 2 12 2\ndirect\n0.392512 0.196604 0.179197 La\n0.333649 0.666796 0.211963 La\n0.197102 0.803530 0.680292 La\n0.666397 0.333211 0.711901 La\n0.803191 0.607093 0.180167 La\n0.196887 0.392976 0.680744 La\n0.607689 0.803699 0.679330 La\n0.802701 0.196943 0.180837 La\n0.001200 0.003049 0.511258 Mn\n0.997132 0.995304 0.015214 Mn\n0.881412 0.118728 0.782175 S\n0.470190 0.939622 0.959792 S\n0.060569 0.530315 0.959775 S\n0.530211 0.469607 0.459808 S\n0.530259 0.060636 0.459759 S\n0.762155 0.881202 0.281256 S\n0.118098 0.236633 0.281193 S\n0.881927 0.763273 0.780937 S\n0.470073 0.530656 0.959950 S\n0.939578 0.469755 0.459691 S\n0.238170 0.118743 0.781018 S\n0.118672 0.881457 0.282377 S\n0.333442 0.666495 0.558125 O\n0.666783 0.333671 0.058183 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"S",
"O"
],
"chemical_system": "La-Mn-O-S",
"density": 5.122920669346829,
"density_atomic": 0.045205653305273485,
"volume": 530.9070491234394,
"volume_molar": 13.321654084573277,
"formula_full": "La8 Mn2 S12 O2",
"formula_reduced": "La4MnS6O",
"formula_anonymous": "ABC4D6",
"energy": -176.27783739,
"energy_per_atom": -7.34490989125,
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"updated_at": "2021-11-28T01:37:41.884000Z",
"spacegroup": 36
},
{
"id": "mp-1304294",
"created_at": "2022-09-04T14:44:25.609986Z",
"structure_string": "Li3 Mn2 Co1 O6\n1.0\n5.154226 -0.135358 -0.930243\n-1.417096 4.322780 2.625180\n-0.081596 0.065777 5.100131\nLi Mn Co O\n3 2 1 6\ndirect\n0.499972 0.499991 0.999803 Li\n0.500091 0.832850 0.334056 Li\n0.500037 0.169393 0.661392 Li\n0.999891 0.330250 0.339488 Mn\n0.000018 0.663782 0.672422 Mn\n0.000130 0.002577 0.994946 Co\n0.228519 0.720382 0.006897 O\n0.212879 0.084746 0.349385 O\n0.240501 0.412007 0.642850 O\n0.771461 0.272839 0.006687 O\n0.786989 0.565978 0.349238 O\n0.759511 0.945205 0.642836 O\n",
"nsites": 12,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.251761644566205,
"density_atomic": 0.10757199870340141,
"volume": 111.55319362510424,
"volume_molar": 5.598241951982604,
"formula_full": "Li3 Mn2 Co1 O6",
"formula_reduced": "Li3Mn2CoO6",
"formula_anonymous": "AB2C3D6",
"energy": -84.88861198000001,
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{
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"density": 2.5247764219534456,
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"formula_full": "Mn2 V3 Cu1 P6 O24",
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}