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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10241",
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"results": [
{
"id": "mp-1208681",
"created_at": "2022-09-04T14:48:08.684190Z",
"structure_string": "Sr4 Mn4 Sb8\n1.0\n4.451070 0.000000 0.000000\n0.000000 4.515819 0.000000\n0.000000 0.000000 22.626019\nSr Mn Sb\n4 4 8\ndirect\n0.250000 0.725031 0.118859 Sr\n0.750000 0.274969 0.881141 Sr\n0.750000 0.225031 0.381141 Sr\n0.250000 0.774969 0.618859 Sr\n0.250000 0.223421 0.250058 Mn\n0.750000 0.776579 0.749942 Mn\n0.750000 0.723421 0.249942 Mn\n0.250000 0.276579 0.750058 Mn\n0.250000 0.725536 0.319157 Sb\n0.750000 0.274464 0.680843 Sb\n0.750000 0.225536 0.180843 Sb\n0.250000 0.774464 0.819157 Sb\n0.250000 0.214693 0.001622 Sb\n0.750000 0.785307 0.998378 Sb\n0.750000 0.714693 0.498378 Sb\n0.250000 0.285307 0.501622 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Sr",
"density": 5.638649452777771,
"density_atomic": 0.03518121908502664,
"volume": 454.7881061577456,
"volume_molar": 17.117487445348544,
"formula_full": "Sr4 Mn4 Sb8",
"formula_reduced": "SrMnSb2",
"formula_anonymous": "ABC2",
"energy": -84.92330226,
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"updated_at": "2021-11-28T01:38:28.375000Z",
"spacegroup": 62
},
{
"id": "mp-1080128",
"created_at": "2022-09-04T14:39:08.072084Z",
"structure_string": "Sr2 Mn2 Sb2 F2\n1.0\n4.451885 0.000000 0.000000\n0.000000 4.451885 0.000000\n0.000000 0.000000 9.603600\nSr Mn Sb F\n2 2 2 2\ndirect\n0.000000 0.500000 0.867053 Sr\n0.500000 0.000000 0.132947 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.312461 Sb\n0.500000 0.000000 0.687539 Sb\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Sb",
"F"
],
"chemical_system": "F-Mn-Sb-Sr",
"density": 4.943436323488302,
"density_atomic": 0.04203083806474368,
"volume": 190.33643791915162,
"volume_molar": 14.327910261326657,
"formula_full": "Sr2 Mn2 Sb2 F2",
"formula_reduced": "SrMnSbF",
"formula_anonymous": "ABCD",
"energy": -48.52090411,
"energy_per_atom": -6.06511301375,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -43.87690411,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.8875027,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.036000Z",
"spacegroup": 129
},
{
"id": "mp-559818",
"created_at": "2022-09-04T14:39:11.220926Z",
"structure_string": "Sr4 Mn4 Se8 O24\n1.0\n15.093034 0.000000 0.000000\n0.000000 4.504111 0.000000\n0.000000 3.802697 9.756054\nSr Mn Se O\n4 4 8 24\ndirect\n0.883326 0.707308 0.535002 Sr\n0.383326 0.292692 0.964998 Sr\n0.116674 0.292692 0.464998 Sr\n0.616674 0.707308 0.035002 Sr\n0.347058 0.485143 0.291209 Mn\n0.652942 0.514857 0.708791 Mn\n0.152942 0.485143 0.791209 Mn\n0.847058 0.514857 0.208791 Mn\n0.799001 0.356804 0.922176 Se\n0.200999 0.643196 0.077824 Se\n0.499837 0.956144 0.280655 Se\n0.000163 0.956144 0.780655 Se\n0.700999 0.356804 0.422176 Se\n0.299001 0.643196 0.577824 Se\n0.500163 0.043856 0.719345 Se\n0.999837 0.043856 0.219345 Se\n0.300212 0.370739 0.496352 O\n0.990035 0.428937 0.215299 O\n0.314831 0.726954 0.066760 O\n0.490035 0.571063 0.284701 O\n0.114511 0.037524 0.770295 O\n0.296062 0.410181 0.750278 O\n0.685169 0.273046 0.933240 O\n0.703938 0.589819 0.249722 O\n0.968267 0.153119 0.611798 O\n0.468267 0.846881 0.888202 O\n0.203938 0.410181 0.250278 O\n0.531733 0.153119 0.111798 O\n0.031733 0.846881 0.388202 O\n0.699788 0.629261 0.503648 O\n0.199788 0.370739 0.996352 O\n0.009965 0.571063 0.784701 O\n0.885489 0.962476 0.229705 O\n0.614511 0.962476 0.729705 O\n0.800212 0.629261 0.003648 O\n0.796062 0.589819 0.749722 O\n0.385489 0.037524 0.270295 O\n0.814831 0.273046 0.433240 O\n0.185169 0.726954 0.566760 O\n0.509965 0.428937 0.715299 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se-Sr",
"density": 3.970676065084798,
"density_atomic": 0.060311504275053704,
"volume": 663.2233846726481,
"volume_molar": 9.985061444555784,
"formula_full": "Sr4 Mn4 Se8 O24",
"formula_reduced": "SrMn(SeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -270.0947454,
"energy_per_atom": -6.752368635000001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -246.9347454,
"band_gap": 3.1701,
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"is_magnetic": true,
"total_magnetization": 20.0024898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.747000Z",
"spacegroup": 14
},
{
"id": "mp-1522521",
"created_at": "2022-09-04T14:41:21.407618Z",
"structure_string": "Sr1 Mn1 Se4 O12\n1.0\n0.000000 -3.745133 -4.323858\n0.000000 -3.745133 4.323858\n-7.473516 0.000000 0.000000\nSr Mn Se O\n1 1 4 12\ndirect\n0.062158 0.937842 0.500000 Sr\n0.477373 0.522627 0.000000 Mn\n0.546174 0.987234 0.243967 Se\n0.546174 0.987234 0.756033 Se\n0.012766 0.453826 0.756033 Se\n0.012766 0.453826 0.243967 Se\n0.157983 0.222601 0.238475 O\n0.777399 0.842017 0.238475 O\n0.777399 0.842017 0.761525 O\n0.157983 0.222601 0.761525 O\n0.307378 0.692622 0.279231 O\n0.687069 0.312931 0.185239 O\n0.687069 0.312931 0.814761 O\n0.307378 0.692622 0.720769 O\n0.448429 0.926099 0.000000 O\n0.513521 0.049020 0.500000 O\n0.073901 0.551571 0.000000 O\n0.950980 0.486479 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se-Sr",
"density": 4.462003272465759,
"density_atomic": 0.074366762062556,
"volume": 242.04361600225002,
"volume_molar": 8.097892920138547,
"formula_full": "Sr1 Mn1 Se4 O12",
"formula_reduced": "SrMn(SeO3)4",
"formula_anonymous": "ABC4D12",
"energy": -106.23137777,
"energy_per_atom": -5.901743209444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.31937777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8079845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.940000Z",
"spacegroup": 38
},
{
"id": "mp-20759",
"created_at": "2022-09-04T14:47:20.338918Z",
"structure_string": "Sr2 Mn2 Sn2\n1.0\n4.756741 0.000000 0.000000\n0.000000 4.756741 0.000000\n0.000000 0.000000 7.639743\nSr Mn Sn\n2 2 2\ndirect\n0.000000 0.500000 0.320105 Sr\n0.500000 0.000000 0.679895 Sr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.800894 Sn\n0.500000 0.000000 0.199106 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Sr",
"density": 5.019582877630105,
"density_atomic": 0.03470991026402106,
"volume": 172.86129391752897,
"volume_molar": 17.349917398784854,
"formula_full": "Sr2 Mn2 Sn2",
"formula_reduced": "SrMnSn",
"formula_anonymous": "ABC",
"energy": -31.09422067,
"energy_per_atom": -5.182370111666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.09422067,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.3727967,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.279000Z",
"spacegroup": 129
},
{
"id": "mp-1519598",
"created_at": "2022-09-04T14:42:59.133058Z",
"structure_string": "Sr1 Mn1 Sn1 W1 O6\n1.0\n-0.000000 -4.083083 -4.083083\n4.083083 0.000000 -4.083083\n4.083083 -4.083083 -0.000000\nSr Mn Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 Mn\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.738280 0.261720 0.261720 O\n0.261720 0.738280 0.738280 O\n0.738280 0.261720 0.738280 O\n0.261720 0.738280 0.261720 O\n0.738280 0.738280 0.261720 O\n0.261720 0.261720 0.738280 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Sn",
"W",
"O"
],
"chemical_system": "Mn-O-Sn-Sr-W",
"density": 6.599872999900634,
"density_atomic": 0.07345229665829162,
"volume": 136.14278184548988,
"volume_molar": 8.198709957315126,
"formula_full": "Sr1 Mn1 Sn1 W1 O6",
"formula_reduced": "SrMnSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -80.09972468,
"energy_per_atom": -8.009972467999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -69.87172468,
"band_gap": 1.4639000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.436000Z",
"spacegroup": 216
},
{
"id": "mp-1218186",
"created_at": "2022-09-04T14:40:56.291462Z",
"structure_string": "Sr1 Mn1 Te1 O6\n1.0\n2.584448 -4.476395 0.000000\n2.584448 4.476395 0.000000\n0.000000 0.000000 5.552823\nSr Mn Te O\n1 1 1 6\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 Mn\n0.000000 0.000000 0.500000 Te\n0.666046 0.904094 0.280282 O\n0.238048 0.333954 0.280282 O\n0.095906 0.761952 0.280282 O\n0.666046 0.904094 0.719718 O\n0.238048 0.333954 0.719718 O\n0.095906 0.761952 0.719718 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Te",
"O"
],
"chemical_system": "Mn-O-Sr-Te",
"density": 4.732312130986709,
"density_atomic": 0.07004908763190199,
"volume": 128.4813307961086,
"volume_molar": 8.59702954540321,
"formula_full": "Sr1 Mn1 Te1 O6",
"formula_reduced": "SrMnTeO6",
"formula_anonymous": "ABCD6",
"energy": -61.05191607,
"energy_per_atom": -6.78354623,
"energy_above_hull": null,
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"energy_uncorrected": -55.26191607,
"band_gap": 0.9939,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.895000Z",
"spacegroup": 174
},
{
"id": "mp-541777",
"created_at": "2022-09-04T14:39:39.847923Z",
"structure_string": "Sr2 Mn2 V4 Ag4 O16\n1.0\n5.690786 0.000000 0.000000\n2.845393 5.006789 -0.078109\n0.000000 0.022503 13.932502\nSr Mn V Ag O\n2 2 4 4 16\ndirect\n0.917169 0.000000 0.250000 Sr\n0.082831 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.365452 0.347009 0.869914 V\n0.712460 0.652991 0.630086 V\n0.634548 0.652991 0.130086 V\n0.287540 0.347009 0.369914 V\n0.611795 0.678260 0.404079 Ag\n0.290055 0.321740 0.095921 Ag\n0.388205 0.321740 0.595921 Ag\n0.709945 0.678260 0.904079 Ag\n0.579774 0.223368 0.441634 O\n0.803142 0.776632 0.058366 O\n0.420226 0.776632 0.558366 O\n0.196858 0.223368 0.941634 O\n0.724651 0.673018 0.246830 O\n0.397668 0.326982 0.253170 O\n0.275349 0.326982 0.753170 O\n0.602332 0.673018 0.746830 O\n0.749457 0.316503 0.099207 O\n0.065960 0.683497 0.400793 O\n0.250543 0.683497 0.900793 O\n0.934040 0.316503 0.599207 O\n0.280726 0.850717 0.118872 O\n0.131443 0.149283 0.381128 O\n0.719274 0.149283 0.881128 O\n0.868557 0.850717 0.618872 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Mn",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-Mn-O-Sr-V",
"density": 4.920534878795015,
"density_atomic": 0.07053203763117326,
"volume": 396.9827179305076,
"volume_molar": 8.53816359523176,
"formula_full": "Sr2 Mn2 V4 Ag4 O16",
"formula_reduced": "SrMnV2(AgO4)2",
"formula_anonymous": "ABC2D2E8",
"energy": -207.80455704,
"energy_per_atom": -7.421591322857142,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -186.67655704,
"band_gap": 1.366,
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"total_magnetization": 9.9925298,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.341000Z",
"spacegroup": 15
},
{
"id": "mp-1366914",
"created_at": "2022-09-04T14:40:52.156021Z",
"structure_string": "Sr2 Mn2 Zn2 P4 O16\n1.0\n5.532502 0.000000 0.000000\n-0.973537 6.979479 0.000000\n-1.965969 -3.673685 8.589514\nSr Mn Zn P O\n2 2 2 4 16\ndirect\n0.198265 0.752105 0.047071 Sr\n0.801735 0.247895 0.952929 Sr\n0.068794 0.278580 0.558316 Mn\n0.931206 0.721420 0.441684 Mn\n0.351018 0.729808 0.645525 Zn\n0.648982 0.270192 0.354475 Zn\n0.161538 0.193378 0.226193 P\n0.838462 0.806622 0.773807 P\n0.539338 0.720491 0.299025 P\n0.460662 0.279509 0.700975 P\n0.903574 0.652001 0.902449 O\n0.450174 0.261244 0.213661 O\n0.893590 0.026248 0.775550 O\n0.261059 0.420024 0.697834 O\n0.549826 0.738756 0.786339 O\n0.429068 0.174411 0.580606 O\n0.570932 0.825589 0.419394 O\n0.394405 0.128547 0.866358 O\n0.106410 0.973752 0.224450 O\n0.605595 0.871453 0.133642 O\n0.096426 0.347999 0.097551 O\n0.971605 0.190912 0.385513 O\n0.028395 0.809088 0.614487 O\n0.256116 0.586759 0.359598 O\n0.738941 0.579976 0.302166 O\n0.743884 0.413241 0.640402 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Mn",
"Zn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr-Zn",
"density": 3.9842861186595417,
"density_atomic": 0.07838991104504825,
"volume": 331.67533491725237,
"volume_molar": 7.682290590353219,
"formula_full": "Sr2 Mn2 Zn2 P4 O16",
"formula_reduced": "SrMnZn(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -111.76894393000002,
"energy_per_atom": -4.298805535769231,
"energy_above_hull": null,
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"energy_uncorrected": -97.44094393,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.0113225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.609000Z",
"spacegroup": 2
},
{
"id": "mp-1046402",
"created_at": "2022-09-04T14:47:18.991654Z",
"structure_string": "Sr4 Mn4 Zn4 P8 O32\n1.0\n-1.464135 6.428361 -2.465700\n-10.839943 0.060236 2.246199\n3.901310 6.367981 5.953337\nSr Mn Zn P O\n4 4 4 8 32\ndirect\n0.751738 0.401164 0.046963 Sr\n0.751759 0.901167 0.046937 Sr\n0.248239 0.598856 0.953046 Sr\n0.248258 0.098829 0.953054 Sr\n0.277661 0.466544 0.558383 Mn\n0.722334 0.033437 0.441618 Mn\n0.277620 0.966498 0.558387 Mn\n0.722402 0.533511 0.441598 Mn\n0.730732 0.324136 0.645029 Zn\n0.730727 0.824136 0.645015 Zn\n0.269274 0.675863 0.354985 Zn\n0.269268 0.175865 0.354974 Zn\n0.193745 0.418623 0.224829 P\n0.193737 0.918635 0.224836 P\n0.806260 0.581364 0.775169 P\n0.806256 0.081382 0.775172 P\n0.720534 0.230176 0.298545 P\n0.720535 0.730176 0.298536 P\n0.279469 0.769823 0.701460 P\n0.279463 0.269822 0.701455 P\n0.649303 0.550483 0.904643 O\n0.649322 0.050480 0.904636 O\n0.350681 0.449519 0.095363 O\n0.350686 0.949517 0.095356 O\n0.259112 0.274619 0.213744 O\n0.259105 0.774623 0.213757 O\n0.740899 0.725378 0.786246 O\n0.740884 0.225384 0.786257 O\n0.025676 0.552361 0.777134 O\n0.025674 0.052364 0.777131 O\n0.974324 0.447638 0.222872 O\n0.974319 0.947637 0.222875 O\n0.420204 0.369623 0.697857 O\n0.420204 0.869628 0.697862 O\n0.579796 0.630373 0.302141 O\n0.579797 0.130370 0.302133 O\n0.174033 0.785470 0.580936 O\n0.174021 0.285455 0.580936 O\n0.825976 0.214541 0.419061 O\n0.825970 0.714533 0.419063 O\n0.128793 0.802284 0.866957 O\n0.128785 0.302288 0.866963 O\n0.871214 0.197717 0.133038 O\n0.871211 0.697707 0.133040 O\n0.191333 0.513693 0.384143 O\n0.191324 0.013701 0.384147 O\n0.808675 0.486303 0.615852 O\n0.808667 0.986307 0.615861 O\n0.586579 0.371740 0.359338 O\n0.586584 0.871736 0.359342 O\n0.413418 0.628263 0.640656 O\n0.413417 0.128258 0.640666 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
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{
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}