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{
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"results": [
{
"id": "mp-1224038",
"created_at": "2022-09-04T14:41:08.776756Z",
"structure_string": "Ho4 Mn2 Ru2 O14\n1.0\n-3.576236 3.599822 5.082623\n3.576236 -3.599822 5.082623\n3.576236 3.599822 -5.082623\nHo Mn Ru O\n4 2 2 14\ndirect\n0.000000 0.500000 0.000000 Ho\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.839706 0.089706 0.750000 O\n0.418201 0.668201 0.750000 O\n0.832428 0.662709 0.747457 O\n0.415252 0.084971 0.752543 O\n0.832428 0.084971 0.169719 O\n0.415252 0.662709 0.330281 O\n0.160294 0.910294 0.250000 O\n0.581799 0.331799 0.250000 O\n0.167572 0.337291 0.252543 O\n0.584748 0.915029 0.247457 O\n0.167572 0.915029 0.830281 O\n0.584748 0.337291 0.669719 O\n0.874329 0.624329 0.250000 O\n0.125671 0.375671 0.750000 O\n",
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"elements": [
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"Ru",
"O"
],
"chemical_system": "Ho-Mn-O-Ru",
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"density_atomic": 0.08405578233418741,
"volume": 261.73095281574814,
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"formula_full": "Ho4 Mn2 Ru2 O14",
"formula_reduced": "Ho2MnRuO7",
"formula_anonymous": "ABC2D7",
"energy": -185.11910869000005,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.523000Z",
"spacegroup": 74
},
{
"id": "mp-1175727",
"created_at": "2022-09-04T14:42:47.311863Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.904194 0.000000 0.000000\n1.458210 6.285226 0.000000\n1.903408 0.117574 7.605686\nLi Mn Co O\n9 2 5 16\ndirect\n0.063382 0.120183 0.627843 Li\n0.802074 0.628554 0.118896 Li\n0.562024 0.120197 0.628100 Li\n0.934328 0.881014 0.373200 Li\n0.684099 0.369808 0.881355 Li\n0.440542 0.878646 0.371419 Li\n0.321296 0.629105 0.118682 Li\n0.192360 0.371213 0.880391 Li\n0.499693 0.000343 0.999721 Li\n0.999821 0.000757 0.000082 Mn\n0.250202 0.499175 0.499987 Mn\n0.750711 0.500718 0.500340 Co\n0.617329 0.249096 0.242852 Co\n0.381882 0.752830 0.757398 Co\n0.128800 0.248628 0.247275 Co\n0.874067 0.749415 0.753639 Co\n0.271292 0.046285 0.814508 O\n0.042662 0.543671 0.334547 O\n0.804166 0.040593 0.824149 O\n0.148474 0.792265 0.568715 O\n0.891441 0.296905 0.064410 O\n0.646552 0.791277 0.566969 O\n0.521670 0.548381 0.317393 O\n0.387755 0.308857 0.077275 O\n0.851998 0.212720 0.429861 O\n0.609360 0.688007 0.919713 O\n0.355551 0.202736 0.434771 O\n0.728456 0.954390 0.185966 O\n0.458322 0.455880 0.667542 O\n0.193141 0.959855 0.175171 O\n0.107362 0.705542 0.937384 O\n0.979193 0.452954 0.680446 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.25371477420515,
"density_atomic": 0.11337833350368677,
"volume": 282.2408745226392,
"volume_molar": 5.311544608127598,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.14440885,
"energy_per_atom": -6.5357627765625,
"energy_above_hull": null,
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"energy_uncorrected": -186.62640885,
"band_gap": 0.8140000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999874,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.962000Z",
"spacegroup": 1
},
{
"id": "mp-1411320",
"created_at": "2022-09-04T14:40:57.435971Z",
"structure_string": "Y2 V4 O8\n1.0\n5.594917 -3.146267 0.000000\n5.594917 3.146267 0.000000\n3.825633 0.000000 5.154281\nY V O\n2 4 8\ndirect\n0.624859 0.624859 0.624859 Y\n0.375141 0.375141 0.375141 Y\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.760322 0.209437 0.760322 O\n0.239678 0.239678 0.790563 O\n0.790563 0.239678 0.239678 O\n0.236431 0.236431 0.236431 O\n0.760322 0.760322 0.209437 O\n0.239678 0.790563 0.239678 O\n0.209437 0.760322 0.760322 O\n0.763569 0.763569 0.763569 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"V",
"O"
],
"chemical_system": "O-V-Y",
"density": 4.663028933382275,
"density_atomic": 0.07715085174325223,
"volume": 181.46267583137174,
"volume_molar": 7.805669832448363,
"formula_full": "Y2 V4 O8",
"formula_reduced": "YV2O4",
"formula_anonymous": "AB2C4",
"energy": -128.48260238,
"energy_per_atom": -9.177328741428571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -116.18660237999998,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:23.755000Z",
"spacegroup": 166
},
{
"id": "mp-760139",
"created_at": "2022-09-04T14:45:57.867402Z",
"structure_string": "Li4 Mn2 F8\n1.0\n-3.270013 3.314768 3.442477\n3.270013 -3.314768 3.442477\n3.270013 3.314768 -3.442477\nLi Mn F\n4 2 8\ndirect\n0.748459 0.009999 0.261540 Li\n0.748459 0.486919 0.738460 Li\n0.732790 0.498667 0.234123 Li\n0.264544 0.498667 0.765877 Li\n0.344655 0.844655 0.500000 Mn\n0.117337 0.117337 0.000000 Mn\n0.464904 0.670285 0.205381 F\n0.464904 0.259523 0.794619 F\n0.040956 0.344971 0.304015 F\n0.040956 0.736941 0.695985 F\n0.515830 0.221559 0.294271 F\n0.592272 0.786371 0.805901 F\n0.980470 0.786371 0.194099 F\n0.927288 0.221559 0.705729 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.222218309057824,
"density_atomic": 0.09379817320180185,
"volume": 149.2566381850501,
"volume_molar": 6.420317746534018,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy": -83.80379338,
"energy_per_atom": -5.985985241428572,
"energy_above_hull": null,
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"energy_uncorrected": -76.77179338,
"band_gap": 4.2937,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.986000Z",
"spacegroup": 44
},
{
"id": "mp-1519540",
"created_at": "2022-09-04T14:45:12.934282Z",
"structure_string": "Sr2 Mn2 Bi2 Sb2 O12\n1.0\n5.649666 0.000000 0.001254\n0.000000 5.949875 0.000000\n0.009993 0.000000 8.206320\nSr Mn Bi Sb O\n2 2 2 2 12\ndirect\n0.013216 0.791098 0.745039 Sr\n0.513216 0.208902 0.245039 Sr\n0.005088 0.240274 0.993319 Mn\n0.505088 0.759726 0.493319 Mn\n0.497914 0.312202 0.720483 Bi\n0.997914 0.687798 0.220483 Bi\n0.499441 0.757730 0.000457 Sb\n0.999441 0.242270 0.500457 Sb\n0.794905 0.943067 0.045628 O\n0.696181 0.428867 0.483670 O\n0.196181 0.571133 0.983670 O\n0.294905 0.056933 0.545628 O\n0.704847 0.489574 0.058351 O\n0.818220 0.960640 0.450692 O\n0.318220 0.039360 0.950692 O\n0.204847 0.510426 0.558351 O\n0.569237 0.705156 0.762735 O\n0.900951 0.211632 0.739626 O\n0.400951 0.788368 0.239626 O\n0.069237 0.294844 0.262735 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-Mn-O-Sb-Sr",
"density": 6.853894233179421,
"density_atomic": 0.07250217739214297,
"volume": 275.8537842501733,
"volume_molar": 8.306151589666074,
"formula_full": "Sr2 Mn2 Bi2 Sb2 O12",
"formula_reduced": "SrMnBiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -141.24171014,
"energy_per_atom": -7.062085507000001,
"energy_above_hull": null,
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"band_gap": 2.3376,
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"total_magnetization": 9.9999882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.375000Z",
"spacegroup": 7
},
{
"id": "mp-1174760",
"created_at": "2022-09-04T14:39:10.947476Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.946885 0.000000 0.000000\n0.027701 5.109051 0.000000\n1.206820 0.266996 16.731840\nLi Mn Co O\n8 2 4 14\ndirect\n0.922831 0.633017 0.147976 Li\n0.372023 0.797920 0.277642 Li\n0.794543 0.930823 0.424997 Li\n0.211148 0.069174 0.573435 Li\n0.647046 0.214358 0.713702 Li\n0.076894 0.360152 0.856984 Li\n0.493975 0.492043 0.006750 Li\n0.428639 0.151666 0.140956 Li\n0.977701 0.003702 0.003091 Mn\n0.287719 0.425880 0.428345 Mn\n0.869515 0.272033 0.274450 Co\n0.714251 0.585304 0.575079 Co\n0.150338 0.712540 0.717175 Co\n0.565270 0.849397 0.857206 Co\n0.456597 0.844293 0.060971 O\n0.895164 0.976992 0.219623 O\n0.322149 0.133993 0.361106 O\n0.758660 0.278624 0.496067 O\n0.183473 0.413512 0.643282 O\n0.620172 0.552458 0.786290 O\n0.987463 0.702987 0.925195 O\n0.393830 0.461909 0.220095 O\n0.812533 0.575299 0.367157 O\n0.248050 0.725856 0.500599 O\n0.684018 0.881247 0.642313 O\n0.151699 0.014341 0.786020 O\n0.511537 0.140904 0.931027 O\n0.962762 0.299575 0.062468 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.120702362718647,
"density_atomic": 0.11115036732755024,
"volume": 251.9109983459298,
"volume_molar": 5.418012467968987,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.88597733,
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"energy_uncorrected": -163.37997733,
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"updated_at": "2021-11-28T01:34:35.505000Z",
"spacegroup": 1
},
{
"id": "mp-764879",
"created_at": "2022-09-04T14:42:56.557330Z",
"structure_string": "V8 O6 F18\n1.0\n5.245461 0.000000 0.000000\n2.591766 4.722078 0.000000\n2.577510 0.921142 17.176389\nV O F\n8 6 18\ndirect\n0.622893 0.627717 0.125159 V\n0.151857 0.102290 0.630537 V\n0.252108 0.220212 0.246880 V\n0.734961 0.752618 0.750841 V\n0.896379 0.888808 0.372567 V\n0.382349 0.402692 0.873301 V\n0.993120 0.034009 0.004064 V\n0.505680 0.521395 0.504485 V\n0.899606 0.302026 0.060161 O\n0.401645 0.798916 0.559688 O\n0.348692 0.952713 0.189543 O\n0.076432 0.070533 0.335286 O\n0.560671 0.583237 0.834498 O\n0.370375 0.959296 0.703179 O\n0.844095 0.830638 0.084955 F\n0.630454 0.039773 0.290633 F\n0.337936 0.333838 0.585038 F\n0.121463 0.534820 0.789254 F\n0.386355 0.790731 0.036772 F\n0.404264 0.423628 0.165349 F\n0.916883 0.911849 0.663100 F\n0.124293 0.695279 0.460774 F\n0.150854 0.550815 0.312332 F\n0.841584 0.431414 0.685884 F\n0.893155 0.281050 0.540508 F\n0.609301 0.210946 0.961612 F\n0.673356 0.664964 0.413263 F\n0.860213 0.463737 0.212778 F\n0.655178 0.062659 0.814390 F\n0.086572 0.698559 0.939854 F\n0.601126 0.186532 0.441070 F\n0.166148 0.172309 0.912245 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.299999297419807,
"density_atomic": 0.07521445140353282,
"volume": 425.45015489532585,
"volume_molar": 8.006627247323298,
"formula_full": "V8 O6 F18",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy": -231.32865083,
"energy_per_atom": -7.2290203384375,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.312000Z",
"spacegroup": 1
},
{
"id": "mp-1175755",
"created_at": "2022-09-04T14:48:03.613198Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.914340 -0.149864 1.429834\n2.335285 7.362195 -0.579160\n-0.313858 -0.161999 7.737322\nLi Mn Co O\n9 2 5 16\ndirect\n0.993372 0.111917 0.368992 Li\n0.006628 0.631008 0.888083 Li\n0.517534 0.985406 0.488640 Li\n0.482466 0.511360 0.014594 Li\n0.008609 0.868351 0.612886 Li\n0.991391 0.387114 0.131649 Li\n0.495412 0.748388 0.744935 Li\n0.504588 0.255065 0.251612 Li\n0.000000 0.748045 0.251955 Li\n0.000000 0.997557 0.002443 Mn\n0.500000 0.377667 0.622333 Mn\n0.000000 0.505067 0.494933 Co\n0.500000 0.863848 0.136152 Co\n0.000000 0.250758 0.749242 Co\n0.500000 0.622244 0.377756 Co\n0.500000 0.125714 0.874286 Co\n0.753782 0.001689 0.227790 O\n0.757354 0.476660 0.727014 O\n0.276567 0.863775 0.373499 O\n0.273653 0.372315 0.862769 O\n0.748309 0.722830 0.490631 O\n0.767311 0.236419 0.980614 O\n0.277928 0.613400 0.618698 O\n0.241020 0.113243 0.108824 O\n0.242646 0.272986 0.523340 O\n0.246218 0.772210 0.998311 O\n0.726347 0.137231 0.627685 O\n0.723433 0.626501 0.136225 O\n0.232689 0.019386 0.763581 O\n0.251691 0.509369 0.277170 O\n0.758980 0.891176 0.886757 O\n0.722072 0.381302 0.386600 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.213696405486727,
"density_atomic": 0.11231168559810907,
"volume": 284.92137598671,
"volume_molar": 5.361989474140161,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.09428235,
"energy_per_atom": -6.5341963234375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:28.900000Z",
"spacegroup": 5
},
{
"id": "mp-1303340",
"created_at": "2022-09-04T14:43:55.616629Z",
"structure_string": "Li2 Mn2 Co6 O16\n1.0\n2.759874 -2.838164 4.089874\n3.270668 -2.902711 -4.270177\n5.979895 5.689547 -0.091742\nLi Mn Co O\n2 2 6 16\ndirect\n0.500136 0.001465 0.503021 Li\n0.001639 0.504296 0.992965 Li\n0.501926 0.497723 0.501271 Mn\n0.998352 0.002458 0.999300 Mn\n0.000774 0.494256 0.502102 Co\n0.498479 0.001554 0.999746 Co\n0.750308 0.749809 0.247693 Co\n0.249256 0.250010 0.752269 Co\n0.250619 0.750740 0.249274 Co\n0.747552 0.248907 0.752353 Co\n0.998758 0.956110 0.233979 O\n0.496058 0.457071 0.733380 O\n0.501872 0.544477 0.264324 O\n0.001534 0.042338 0.769222 O\n0.002922 0.452859 0.745471 O\n0.500222 0.955095 0.233255 O\n0.495550 0.042066 0.770578 O\n0.003284 0.549536 0.251359 O\n0.747685 0.718411 0.476061 O\n0.250862 0.213483 0.984117 O\n0.263918 0.723931 0.475360 O\n0.747127 0.210067 0.985837 O\n0.248495 0.789868 0.017272 O\n0.738422 0.277074 0.520680 O\n0.747129 0.788956 0.017160 O\n0.257120 0.277438 0.521955 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.250338213442804,
"density_atomic": 0.09074816032043098,
"volume": 286.5071854701431,
"volume_molar": 6.636102306356264,
"formula_full": "Li2 Mn2 Co6 O16",
"formula_reduced": "LiMnCo3O8",
"formula_anonymous": "ABC3D8",
"energy": -181.42815384,
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"updated_at": "2021-11-28T01:36:18.692000Z",
"spacegroup": 6
},
{
"id": "mp-1013912",
"created_at": "2022-09-04T14:40:29.930690Z",
"structure_string": "Li2 Co6 P6 O26\n1.0\n6.103720 0.000000 0.000000\n0.000000 7.217674 0.000000\n0.000000 1.916750 10.382426\nLi Co P O\n2 6 6 26\ndirect\n0.750000 0.361024 0.135102 Li\n0.250000 0.638976 0.864898 Li\n0.250000 0.632841 0.190820 Co\n0.750000 0.367159 0.809180 Co\n0.250000 0.232427 0.454148 Co\n0.500000 0.000000 0.000000 Co\n0.750000 0.767573 0.545852 Co\n0.000000 0.000000 0.000000 Co\n0.250000 0.780618 0.464648 P\n0.750000 0.219382 0.535352 P\n0.250000 0.265364 0.776998 P\n0.750000 0.734636 0.223002 P\n0.750000 0.700718 0.878100 P\n0.250000 0.299282 0.121900 P\n0.750000 0.647545 0.741533 O\n0.548864 0.276342 0.447032 O\n0.250000 0.196576 0.650242 O\n0.536891 0.804510 0.900752 O\n0.750000 0.345933 0.638209 O\n0.750000 0.134150 0.903415 O\n0.250000 0.654067 0.361791 O\n0.036891 0.195490 0.099248 O\n0.250000 0.988948 0.402334 O\n0.750000 0.011052 0.597666 O\n0.057833 0.391461 0.805716 O\n0.250000 0.865850 0.096585 O\n0.557833 0.608539 0.194284 O\n0.750000 0.493392 0.955778 O\n0.750000 0.803424 0.349758 O\n0.463109 0.195490 0.099248 O\n0.951136 0.276342 0.447032 O\n0.451136 0.723658 0.552968 O\n0.442167 0.391461 0.805716 O\n0.250000 0.352455 0.258467 O\n0.750000 0.916503 0.109858 O\n0.250000 0.083497 0.890142 O\n0.942167 0.608539 0.194284 O\n0.963109 0.804510 0.900752 O\n0.048864 0.723658 0.552968 O\n0.250000 0.506608 0.044222 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.5190079555632465,
"density_atomic": 0.08745190650130816,
"volume": 457.39425931670974,
"volume_molar": 6.8862315310529185,
"formula_full": "Li2 Co6 P6 O26",
"formula_reduced": "LiCo3P3O13",
"formula_anonymous": "AB3C3D13",
"energy": -289.59548132,
"energy_per_atom": -7.239887033,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -261.90548132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.419000Z",
"spacegroup": 11
},
{
"id": "mp-1205353",
"created_at": "2022-09-04T14:41:22.747257Z",
"structure_string": "K2 Mn2 F6\n1.0\n-3.002058 3.020543 4.239405\n3.002058 -3.020543 4.239405\n3.002058 3.020543 -4.239405\nK Mn F\n2 2 6\ndirect\n0.753143 0.750000 0.003143 K\n0.246857 0.250000 0.996857 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.701309 0.250000 0.451309 F\n0.298691 0.750000 0.548691 F\n0.775170 0.775170 0.500000 F\n0.224830 0.724830 0.000000 F\n0.224830 0.224830 0.500000 F\n0.775170 0.275170 0.000000 F\n",
"nsites": 10,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-K-Mn",
"density": 3.2619536486759335,
"density_atomic": 0.06503258237570504,
"volume": 153.7690744345378,
"volume_molar": 9.26019010779704,
"formula_full": "K2 Mn2 F6",
"formula_reduced": "KMnF3",
"formula_anonymous": "ABC3",
"energy": -62.224453350000005,
"energy_per_atom": -6.222445335000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -56.11645335,
"band_gap": 2.4058,
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"is_magnetic": true,
"total_magnetization": 9.9999905,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.036000Z",
"spacegroup": 74
},
{
"id": "mp-1218091",
"created_at": "2022-09-04T14:40:20.768116Z",
"structure_string": "Sr2 Pr2 Co4 O12\n1.0\n5.489401 0.000000 0.000000\n0.000000 5.551579 0.000000\n0.000000 5.435582 7.553714\nSr Pr Co O\n2 2 4 12\ndirect\n0.761874 0.248270 0.250999 Sr\n0.238126 0.248270 0.750999 Sr\n0.728894 0.759176 0.749251 Pr\n0.271106 0.759176 0.249251 Pr\n0.752177 0.999978 0.000056 Co\n0.247823 0.999978 0.500056 Co\n0.754149 0.499959 0.500053 Co\n0.245851 0.499959 0.000053 Co\n0.015573 0.185257 0.033804 O\n0.984427 0.185257 0.533804 O\n0.497879 0.799325 0.969157 O\n0.502121 0.799325 0.469157 O\n0.743640 0.698236 0.254209 O\n0.256360 0.698236 0.754209 O\n0.751627 0.319455 0.745979 O\n0.248373 0.319455 0.245979 O\n0.027003 0.772233 0.465882 O\n0.972997 0.772233 0.965882 O\n0.485160 0.218112 0.530610 O\n0.514840 0.218112 0.030610 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Pr",
"Co",
"O"
],
"chemical_system": "Co-O-Pr-Sr",
"density": 6.3823821981894,
"density_atomic": 0.08688163332575023,
"volume": 230.19825059012032,
"volume_molar": 6.931431338797288,
"formula_full": "Sr2 Pr2 Co4 O12",
"formula_reduced": "SrPr(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy": -145.94458756999998,
"energy_per_atom": -7.297229378499999,
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"energy_uncorrected": -131.14858757,
"band_gap": 0.0,
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"total_magnetization": 9.9999908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.182000Z",
"spacegroup": 7
}
]
}