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{
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"results": [
{
"id": "mp-1093898",
"created_at": "2022-09-04T14:47:38.516960Z",
"structure_string": "Mn2 Be1 Cr1\n1.0\n-4.798721 5.125782 6.790542\n4.798721 -5.125782 6.790542\n4.798721 5.125782 -6.790542\nMn Be Cr\n2 1 1\ndirect\n0.224920 0.000000 0.224920 Mn\n0.775080 0.000000 0.775080 Mn\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.500000 Cr\n",
"nsites": 4,
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"density": 0.4247186979490389,
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"volume": 668.1132169308329,
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"formula_full": "Mn2 Be1 Cr1",
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"spacegroup": 71
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{
"id": "mp-1212290",
"created_at": "2022-09-04T14:47:43.574679Z",
"structure_string": "K2 Mn1 Bi2\n1.0\n3.564033 0.022775 0.023896\n0.022889 3.564629 -0.002159\n0.114013 -0.010621 19.787378\nK Mn Bi\n2 1 2\ndirect\n0.499794 0.499622 0.699719 K\n0.501231 0.499589 0.300401 K\n0.498240 0.501204 0.999943 Mn\n0.500809 0.499639 0.134994 Bi\n0.499926 0.499946 0.864943 Bi\n",
"nsites": 5,
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"elements": [
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"Mn",
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"chemical_system": "Bi-K-Mn",
"density": 3.6405447718221433,
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"volume": 251.36774114984544,
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"formula_full": "K2 Mn1 Bi2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.694000Z",
"spacegroup": 123
},
{
"id": "mp-1304744",
"created_at": "2022-09-04T14:47:32.661138Z",
"structure_string": "Ba4 V4 O10\n1.0\n0.001554 4.031221 0.002070\n0.005965 0.004400 8.099261\n8.308430 0.005435 4.055729\nBa V O\n4 4 10\ndirect\n0.004085 0.999745 0.999315 Ba\n0.996950 0.500607 0.999324 Ba\n0.999841 0.749324 0.498869 Ba\n0.001676 0.249498 0.500579 Ba\n0.511559 0.619385 0.260902 V\n0.512355 0.379385 0.739598 V\n0.488227 0.119967 0.260362 V\n0.490698 0.879770 0.737947 V\n0.505579 0.000101 0.500449 O\n0.493388 0.500001 0.500216 O\n0.499922 0.884306 0.231378 O\n0.498918 0.384452 0.230963 O\n0.497932 0.615906 0.769318 O\n0.500793 0.116128 0.770083 O\n0.007474 0.135666 0.228297 O\n0.991870 0.635638 0.228644 O\n0.006955 0.865227 0.772323 O\n0.991786 0.364895 0.771436 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 5.5912331393509564,
"density_atomic": 0.06637856917317392,
"volume": 271.1718589932258,
"volume_molar": 9.072417250044875,
"formula_full": "Ba4 V4 O10",
"formula_reduced": "Ba2V2O5",
"formula_anonymous": "A2B2C5",
"energy": -141.72102145000002,
"energy_per_atom": -7.873390080555557,
"energy_above_hull": null,
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"energy_uncorrected": -128.05102145,
"band_gap": 0.0212000000000003,
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"is_magnetic": true,
"total_magnetization": 0.0022321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.979000Z",
"spacegroup": 67
},
{
"id": "mp-1223565",
"created_at": "2022-09-04T14:47:43.591374Z",
"structure_string": "La20 Mn8 Te7 C12\n1.0\n0.000000 8.185851 8.185851\n8.185851 0.000000 8.185851\n8.185851 8.185851 0.000000\nLa Mn Te C\n20 8 7 12\ndirect\n0.500000 0.500000 0.841525 La\n0.158475 0.500000 0.841525 La\n0.500000 0.158475 0.841525 La\n0.158475 0.841525 0.500000 La\n0.500000 0.841525 0.500000 La\n0.500000 0.841525 0.158475 La\n0.841525 0.158475 0.500000 La\n0.841525 0.500000 0.158475 La\n0.841525 0.500000 0.500000 La\n0.500000 0.500000 0.158475 La\n0.500000 0.158475 0.500000 La\n0.158475 0.500000 0.500000 La\n0.135471 0.135471 0.593587 La\n0.135471 0.593587 0.135471 La\n0.593587 0.135471 0.135471 La\n0.135471 0.135471 0.135471 La\n0.864529 0.864529 0.406413 La\n0.864529 0.406413 0.864529 La\n0.406413 0.864529 0.864529 La\n0.864529 0.864529 0.864529 La\n0.303698 0.303698 0.088907 Mn\n0.303698 0.088907 0.303698 Mn\n0.088907 0.303698 0.303698 Mn\n0.303698 0.303698 0.303698 Mn\n0.696302 0.696302 0.911093 Mn\n0.696302 0.911093 0.696302 Mn\n0.911093 0.696302 0.696302 Mn\n0.696302 0.696302 0.696302 Mn\n0.214103 0.214103 0.785897 Te\n0.785897 0.214103 0.785897 Te\n0.214103 0.785897 0.785897 Te\n0.785897 0.785897 0.214103 Te\n0.214103 0.785897 0.214103 Te\n0.785897 0.214103 0.214103 Te\n0.500000 0.500000 0.500000 Te\n0.394283 0.394283 0.105717 C\n0.105717 0.394283 0.105717 C\n0.394283 0.105717 0.105717 C\n0.105717 0.105717 0.394283 C\n0.394283 0.105717 0.394283 C\n0.105717 0.394283 0.394283 C\n0.605717 0.605717 0.894283 C\n0.894283 0.605717 0.894283 C\n0.605717 0.894283 0.894283 C\n0.894283 0.894283 0.605717 C\n0.605717 0.894283 0.605717 C\n0.894283 0.605717 0.605717 C\n",
"nsites": 47,
"nelements": 4,
"elements": [
"La",
"Mn",
"Te",
"C"
],
"chemical_system": "C-La-Mn-Te",
"density": 6.440524798289365,
"density_atomic": 0.042842653003248264,
"volume": 1097.0375713295937,
"volume_molar": 14.056414199053945,
"formula_full": "La20 Mn8 Te7 C12",
"formula_reduced": "La20Mn8Te7C12",
"formula_anonymous": "A7B8C12D20",
"energy": -340.82342366,
"energy_per_atom": -7.251562205531915,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.451662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.262000Z",
"spacegroup": 225
},
{
"id": "mp-1019599",
"created_at": "2022-09-04T14:47:35.826847Z",
"structure_string": "Ce2 P2 O8\n1.0\n-3.611146 3.611146 3.143507\n3.611146 -3.611146 3.143507\n3.611146 3.611146 -3.143507\nCe P O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.000000 P\n0.750000 0.250000 0.500000 P\n0.482612 0.652516 0.830096 O\n0.902516 0.232612 0.330096 O\n0.902516 0.572419 0.669904 O\n0.822419 0.652516 0.169904 O\n0.767388 0.097484 0.669904 O\n0.347484 0.517388 0.169904 O\n0.347484 0.177581 0.830096 O\n0.427581 0.097484 0.330096 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"P",
"O"
],
"chemical_system": "Ce-O-P",
"density": 4.761500756936776,
"density_atomic": 0.07318409859147362,
"volume": 163.97004582902755,
"volume_molar": 8.22875580338379,
"formula_full": "Ce2 P2 O8",
"formula_reduced": "CePO4",
"formula_anonymous": "ABC4",
"energy": -102.76775954,
"energy_per_atom": -8.563979961666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -97.27175954,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.994584,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.812000Z",
"spacegroup": 141
},
{
"id": "mp-1023301",
"created_at": "2022-09-04T14:47:43.992468Z",
"structure_string": "Ca2 Mg12 Ti2\n1.0\n5.204091 0.000000 0.000000\n0.000000 6.523335 0.000000\n0.000000 0.000000 11.304269\nCa Mg Ti\n2 12 2\ndirect\n0.000000 0.500000 0.332837 Ca\n0.000000 0.000000 0.832837 Ca\n0.000000 0.262570 0.085808 Mg\n0.000000 0.737430 0.085808 Mg\n0.000000 0.000000 0.334600 Mg\n0.500000 0.755047 0.418718 Mg\n0.500000 0.244953 0.418718 Mg\n0.500000 0.000000 0.164745 Mg\n0.000000 0.762570 0.585808 Mg\n0.000000 0.237430 0.585808 Mg\n0.000000 0.500000 0.834600 Mg\n0.500000 0.255047 0.918718 Mg\n0.500000 0.744953 0.918718 Mg\n0.500000 0.500000 0.664745 Mg\n0.500000 0.500000 0.158768 Ti\n0.500000 0.000000 0.658768 Ti\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ti"
],
"chemical_system": "Ca-Mg-Ti",
"density": 2.023112862270989,
"density_atomic": 0.04169297977687174,
"volume": 383.7576514230256,
"volume_molar": 14.444016216227965,
"formula_full": "Ca2 Mg12 Ti2",
"formula_reduced": "CaMg6Ti",
"formula_anonymous": "ABC6",
"energy": -36.7817376,
"energy_per_atom": -2.2988586,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.564000Z",
"spacegroup": 38
},
{
"id": "mp-1176121",
"created_at": "2022-09-04T14:47:43.524486Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.023857 0.000000 0.000000\n0.495894 9.904056 0.000000\n1.308590 2.877787 9.758882\nLi Mn Co O\n9 2 5 16\ndirect\n0.932608 0.687604 0.126629 Li\n0.435347 0.188162 0.125150 Li\n0.311719 0.569866 0.379041 Li\n0.809370 0.060617 0.372578 Li\n0.694196 0.440080 0.626008 Li\n0.186408 0.930167 0.625057 Li\n0.066428 0.314459 0.874931 Li\n0.563611 0.809103 0.872398 Li\n0.749838 0.749100 0.501450 Li\n0.007068 0.998351 0.003352 Mn\n0.864844 0.379693 0.246707 Mn\n0.500976 0.500871 0.995950 Co\n0.360934 0.867841 0.261854 Co\n0.242543 0.250204 0.500577 Co\n0.134391 0.629164 0.741123 Co\n0.632339 0.123435 0.748979 Co\n0.437101 0.848740 0.076371 O\n0.930605 0.352962 0.063139 O\n0.815005 0.730397 0.308734 O\n0.296190 0.226595 0.317849 O\n0.208688 0.592719 0.583810 O\n0.725972 0.100600 0.567626 O\n0.573501 0.480386 0.816881 O\n0.117955 0.976121 0.818591 O\n0.435405 0.528925 0.175446 O\n0.931418 0.021204 0.185807 O\n0.756629 0.400332 0.433139 O\n0.293554 0.905183 0.418551 O\n0.148430 0.271015 0.682125 O\n0.689980 0.768523 0.692721 O\n0.575149 0.150754 0.931846 O\n0.071797 0.646822 0.925582 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.107843328828053,
"density_atomic": 0.109490282174312,
"volume": 292.2633804985084,
"volume_molar": 5.500160051110802,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.42428859,
"energy_per_atom": -6.4820090184375,
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"updated_at": "2021-11-28T01:38:18.448000Z",
"spacegroup": 1
},
{
"id": "mp-1103574",
"created_at": "2022-09-04T14:47:43.526372Z",
"structure_string": "Na2 I2 O8\n1.0\n1.939552 6.728750 0.000000\n-1.939552 6.728750 0.000000\n0.000000 4.643088 7.984369\nNa I O\n2 2 8\ndirect\n0.176310 0.604940 0.902549 Na\n0.395060 0.823690 0.097451 Na\n0.066553 0.334911 0.719958 I\n0.665089 0.933447 0.280042 I\n0.990512 0.436727 0.903868 O\n0.563273 0.009488 0.096132 O\n0.266710 0.902690 0.815152 O\n0.097310 0.733290 0.184848 O\n0.491332 0.151015 0.598305 O\n0.848985 0.508668 0.401695 O\n0.694447 0.182979 0.698548 O\n0.817021 0.305553 0.301452 O\n",
"nsites": 12,
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"elements": [
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"I",
"O"
],
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"density": 3.4085282062474236,
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"volume": 208.40417544462375,
"volume_molar": 10.458660662493832,
"formula_full": "Na2 I2 O8",
"formula_reduced": "NaIO4",
"formula_anonymous": "ABC4",
"energy": -54.15990708,
"energy_per_atom": -4.51332559,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:22.683000Z",
"spacegroup": 5
},
{
"id": "mp-22765",
"created_at": "2022-09-04T14:47:32.177706Z",
"structure_string": "Eu4 Si6 Pd2\n1.0\n4.161492 -7.207916 0.000000\n4.161492 7.207916 0.000000\n0.000000 0.000000 4.314845\nEu Si Pd\n4 6 2\ndirect\n0.500000 0.500000 0.000000 Eu\n0.000000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 0.000000 Eu\n0.835924 0.671849 0.500000 Si\n0.164076 0.835924 0.500000 Si\n0.671849 0.835924 0.500000 Si\n0.164076 0.328151 0.500000 Si\n0.835924 0.164076 0.500000 Si\n0.328151 0.164076 0.500000 Si\n0.333333 0.666667 0.500000 Pd\n0.666667 0.333333 0.500000 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Si",
"Pd"
],
"chemical_system": "Eu-Pd-Si",
"density": 6.345753244968942,
"density_atomic": 0.046358275287793814,
"volume": 258.85346090862043,
"volume_molar": 12.990433148373915,
"formula_full": "Eu4 Si6 Pd2",
"formula_reduced": "Eu2Si3Pd",
"formula_anonymous": "AB2C3",
"energy": -92.90615149,
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"updated_at": "2021-11-28T01:38:15.908000Z",
"spacegroup": 191
},
{
"id": "mp-1182662",
"created_at": "2022-09-04T14:47:31.090338Z",
"structure_string": "Ba8 Cu8 Si16 O48\n1.0\n-5.076777 5.076777 11.149594\n5.076777 -5.076777 11.149594\n5.076777 5.076777 -11.149594\nBa Cu Si O\n8 8 16 48\ndirect\n0.247151 0.997153 0.749916 Ba\n0.747236 0.497234 0.750084 Ba\n0.997234 0.747151 0.749998 Ba\n0.497153 0.247236 0.750002 Ba\n0.752849 0.002847 0.250084 Ba\n0.252764 0.502766 0.249916 Ba\n0.002766 0.252849 0.250002 Ba\n0.502847 0.752764 0.249998 Ba\n0.436039 0.186039 0.250000 Cu\n0.686039 0.936039 0.750000 Cu\n0.563961 0.813961 0.750000 Cu\n0.313961 0.063961 0.250000 Cu\n0.935992 0.685992 0.250000 Cu\n0.185992 0.435992 0.750000 Cu\n0.064008 0.314008 0.750000 Cu\n0.814008 0.564008 0.250000 Cu\n0.874553 0.898447 0.523640 Si\n0.874807 0.350913 0.976360 Si\n0.850913 0.374553 0.476106 Si\n0.398447 0.374807 0.023894 Si\n0.125447 0.101553 0.476360 Si\n0.125193 0.649087 0.023640 Si\n0.149087 0.625447 0.523894 Si\n0.601553 0.625193 0.976106 Si\n0.100702 0.124555 0.976080 Si\n0.648475 0.124622 0.523920 Si\n0.624622 0.600702 0.476147 Si\n0.624555 0.148475 0.023853 Si\n0.899298 0.875445 0.023920 Si\n0.351525 0.875378 0.476080 Si\n0.375378 0.399298 0.523853 Si\n0.375445 0.851525 0.976147 Si\n0.008428 0.993523 0.749901 O\n0.743622 0.258527 0.750099 O\n0.758527 0.508428 0.514905 O\n0.493523 0.243622 0.985095 O\n0.991572 0.006477 0.250099 O\n0.256378 0.741473 0.249901 O\n0.241473 0.491572 0.485095 O\n0.506477 0.756378 0.014905 O\n0.119464 0.061165 0.056501 O\n0.504663 0.062962 0.443499 O\n0.562962 0.619464 0.558299 O\n0.561165 0.004663 0.941701 O\n0.880536 0.938835 0.943499 O\n0.495337 0.937038 0.556501 O\n0.437038 0.380536 0.441701 O\n0.438835 0.995337 0.058299 O\n0.741012 0.991022 0.485422 O\n0.005600 0.255590 0.014578 O\n0.755590 0.241012 0.249990 O\n0.491022 0.505600 0.250010 O\n0.258988 0.008978 0.514578 O\n0.994400 0.744410 0.985422 O\n0.244410 0.758988 0.750010 O\n0.508978 0.494400 0.749990 O\n0.187328 0.245576 0.557096 O\n0.188479 0.630232 0.942904 O\n0.130232 0.687328 0.441753 O\n0.745576 0.688479 0.058247 O\n0.812672 0.754424 0.442904 O\n0.811521 0.369768 0.057096 O\n0.869768 0.312672 0.558247 O\n0.254424 0.311521 0.941753 O\n0.936212 0.879951 0.441206 O\n0.938745 0.495005 0.058794 O\n0.995005 0.436212 0.556260 O\n0.379951 0.438745 0.943740 O\n0.063788 0.120049 0.558794 O\n0.061255 0.504995 0.941206 O\n0.004995 0.563788 0.443740 O\n0.620049 0.561255 0.056260 O\n0.686173 0.744793 0.556222 O\n0.688571 0.129951 0.943778 O\n0.629951 0.186173 0.441380 O\n0.244793 0.188571 0.058620 O\n0.313827 0.255207 0.443778 O\n0.311429 0.870049 0.056222 O\n0.370049 0.813827 0.558620 O\n0.755207 0.811429 0.941380 O\n",
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"elements": [
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"Si",
"O"
],
"chemical_system": "Ba-Cu-O-Si",
"density": 4.080076179019459,
"density_atomic": 0.0695976808038663,
"volume": 1149.463589533228,
"volume_molar": 8.652789418329954,
"formula_full": "Ba8 Cu8 Si16 O48",
"formula_reduced": "BaCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -600.84888571,
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"energy_uncorrected": -567.87288571,
"band_gap": 0.6126999999999998,
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"total_magnetization": 7.9972835,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.203000Z",
"spacegroup": 137
},
{
"id": "mp-1204374",
"created_at": "2022-09-04T14:47:43.551400Z",
"structure_string": "K4 Cr4 Cu2 P4 O28\n1.0\n7.172039 0.000000 0.000000\n0.000000 8.907066 0.000000\n0.000000 0.249924 9.861125\nK Cr Cu P O\n4 4 2 4 28\ndirect\n0.631258 0.329197 0.694952 K\n0.131258 0.170803 0.305048 K\n0.368742 0.670803 0.305048 K\n0.868742 0.829197 0.694952 K\n0.620731 0.110093 0.344219 Cr\n0.120731 0.389907 0.655781 Cr\n0.379269 0.889907 0.655781 Cr\n0.879269 0.610093 0.344219 Cr\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.632650 0.311644 0.098233 P\n0.132650 0.188356 0.901767 P\n0.367350 0.688356 0.901767 P\n0.867350 0.811644 0.098233 P\n0.745886 0.226067 0.213811 O\n0.245886 0.273933 0.786189 O\n0.254114 0.773933 0.786189 O\n0.754114 0.726067 0.213811 O\n0.504323 0.212747 0.447819 O\n0.004323 0.287253 0.552181 O\n0.495677 0.787253 0.552181 O\n0.995677 0.712747 0.447819 O\n0.525570 0.996373 0.737472 O\n0.025570 0.503627 0.262528 O\n0.474430 0.003627 0.262528 O\n0.974430 0.496373 0.737472 O\n0.779356 0.014521 0.424243 O\n0.279356 0.485479 0.575757 O\n0.220644 0.985479 0.575757 O\n0.720644 0.514521 0.424243 O\n0.956346 0.122891 0.842407 O\n0.456346 0.377109 0.157593 O\n0.043654 0.877109 0.157593 O\n0.543654 0.622891 0.842407 O\n0.586036 0.201017 0.981670 O\n0.086036 0.298983 0.018330 O\n0.413964 0.798983 0.018330 O\n0.913964 0.701017 0.981670 O\n0.752970 0.437922 0.032080 O\n0.252970 0.062078 0.967920 O\n0.247030 0.562078 0.967920 O\n0.747030 0.937922 0.032080 O\n",
"nsites": 42,
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],
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"density_atomic": 0.0666723117089943,
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"formula_full": "K4 Cr4 Cu2 P4 O28",
"formula_reduced": "K2Cr2Cu(PO7)2",
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"energy": -292.65529114000003,
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"updated_at": "2021-11-28T01:38:22.716000Z",
"spacegroup": 14
},
{
"id": "mp-706340",
"created_at": "2022-09-04T14:47:43.557015Z",
"structure_string": "Ca18 La2 Mn20 O60\n1.0\n7.636416 0.000000 0.000000\n-3.803329 8.484669 0.000000\n-0.058039 -0.122031 17.059089\nCa La Mn O\n18 2 20 60\ndirect\n0.683073 0.392486 0.858402 Ca\n0.425157 0.804253 0.943038 Ca\n0.174862 0.393972 0.854966 Ca\n0.282341 0.592295 0.660917 Ca\n0.917778 0.809227 0.940935 Ca\n0.025963 0.004218 0.744331 Ca\n0.774908 0.595720 0.655389 Ca\n0.880136 0.789776 0.458325 Ca\n0.517783 0.009988 0.740545 Ca\n0.623847 0.205078 0.544878 Ca\n0.375702 0.794831 0.455466 Ca\n0.480475 0.988518 0.259189 Ca\n0.227700 0.406489 0.344835 Ca\n0.971243 0.993927 0.255337 Ca\n0.081715 0.190062 0.059923 Ca\n0.719575 0.409779 0.340938 Ca\n0.827501 0.607468 0.145452 Ca\n0.317344 0.607930 0.140731 Ca\n0.111546 0.205260 0.544597 La\n0.585008 0.196144 0.054058 La\n0.801637 0.098869 0.898545 Mn\n0.297300 0.099251 0.898733 Mn\n0.498688 0.502316 0.999156 Mn\n0.403162 0.302113 0.701686 Mn\n0.099856 0.699966 0.800318 Mn\n0.898224 0.301726 0.701437 Mn\n0.999072 0.502830 0.499084 Mn\n0.600836 0.700949 0.800219 Mn\n0.696390 0.897000 0.600581 Mn\n0.503114 0.502229 0.499550 Mn\n0.599675 0.699922 0.300039 Mn\n0.200729 0.895816 0.600325 Mn\n0.300895 0.098420 0.398518 Mn\n0.100427 0.700557 0.300080 Mn\n0.197582 0.897097 0.100581 Mn\n0.796792 0.099253 0.398259 Mn\n0.903692 0.302193 0.201897 Mn\n0.700029 0.895629 0.100448 Mn\n0.399100 0.301071 0.201639 Mn\n0.003245 0.502629 0.999294 Mn\n0.559662 0.120293 0.917746 O\n0.380004 0.319361 0.930868 O\n0.762209 0.967595 0.992162 O\n0.598928 0.636631 0.908925 O\n0.273131 0.548020 0.995810 O\n0.935640 0.285527 0.964408 O\n0.657193 0.912917 0.836596 O\n0.161300 0.321627 0.719068 O\n0.326990 0.652497 0.804455 O\n0.837705 0.236234 0.808412 O\n0.002071 0.564959 0.890939 O\n0.219920 0.879955 0.869871 O\n0.977736 0.520352 0.730633 O\n0.362861 0.165173 0.791474 O\n0.198942 0.833408 0.708981 O\n0.873351 0.747912 0.796148 O\n0.038180 0.078391 0.877937 O\n0.543323 0.487702 0.763153 O\n0.264963 0.111014 0.639004 O\n0.761978 0.524031 0.521184 O\n0.929364 0.856532 0.602871 O\n0.601732 0.765242 0.691018 O\n0.434204 0.433412 0.608163 O\n0.827047 0.083037 0.666935 O\n0.578285 0.719124 0.530078 O\n0.959231 0.369867 0.591963 O\n0.789752 0.030288 0.507368 O\n0.473296 0.946103 0.596506 O\n0.638834 0.278164 0.679559 O\n0.145209 0.687151 0.562648 O\n0.857983 0.311776 0.438250 O\n0.361478 0.722151 0.321883 O\n0.525195 0.051432 0.403059 O\n0.201018 0.966583 0.491174 O\n0.036033 0.636313 0.408512 O\n0.421086 0.279958 0.469572 O\n0.178327 0.920612 0.328835 O\n0.564514 0.564795 0.391599 O\n0.400418 0.235979 0.309241 O\n0.072058 0.146286 0.396543 O\n0.237725 0.476971 0.479227 O\n0.742668 0.887243 0.362039 O\n0.455910 0.512557 0.237474 O\n0.961405 0.920028 0.121685 O\n0.127544 0.252702 0.204810 O\n0.799405 0.165528 0.291414 O\n0.634274 0.832887 0.208597 O\n0.022513 0.480126 0.270671 O\n0.782449 0.116416 0.133775 O\n0.164798 0.763414 0.191367 O\n0.994150 0.431736 0.108496 O\n0.838499 0.677652 0.278877 O\n0.673105 0.346634 0.194925 O\n0.342987 0.087610 0.162510 O\n0.057559 0.713105 0.037319 O\n0.729155 0.459323 0.002433 O\n0.237159 0.035065 0.008526 O\n0.402230 0.365593 0.091104 O\n0.621168 0.679452 0.070242 O\n0.440047 0.880296 0.078315 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ca-La-Mn-O",
"density": 4.594071141688848,
"density_atomic": 0.09047314379561167,
"volume": 1105.3003776005673,
"volume_molar": 6.656274455991768,
"formula_full": "Ca18 La2 Mn20 O60",
"formula_reduced": "Ca9LaMn10O30",
"formula_anonymous": "AB9C10D30",
"energy": -781.8068309,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:20.745000Z",
"spacegroup": 1
}
]
}