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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=78",
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"results": [
{
"id": "mp-1233121",
"created_at": "2022-09-04T14:39:13.041259Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.619331 -0.007962 -1.511079\n-1.388855 6.664851 -2.789557\n-0.538781 -0.175287 10.766138\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.375101 0.656643 0.977368 Sr\n0.787725 0.109896 0.934900 Sr\n0.097852 0.969443 0.190106 Mg\n0.058559 0.426232 0.571012 Zn\n0.897179 0.651803 0.346411 Zn\n0.598935 0.852211 0.539042 Sn\n0.423295 0.241468 0.582390 Sn\n0.274321 0.435278 0.190267 P\n0.811462 0.621809 0.821689 P\n0.703233 0.040210 0.280624 P\n0.173593 0.920121 0.713285 P\n0.964308 0.770875 0.981657 O\n0.555474 0.504226 0.219237 O\n0.680375 0.738798 0.740797 O\n0.970643 0.043393 0.720394 O\n0.610329 0.460788 0.819245 O\n0.058291 0.712774 0.569930 O\n0.755970 0.257807 0.395138 O\n0.298734 0.898901 0.851203 O\n0.203209 0.220478 0.177510 O\n0.726320 0.023287 0.136923 O\n0.124116 0.431825 0.043185 O\n0.201160 0.587429 0.313675 O\n0.983701 0.504755 0.753979 O\n0.443262 0.916057 0.244953 O\n0.917013 0.928275 0.330975 O\n0.389172 0.038181 0.691603 O\n",
"nsites": 27,
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"elements": [
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],
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"density_atomic": 0.06843400002621598,
"volume": 394.5407252192876,
"volume_molar": 8.799925121566785,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.65190762,
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"updated_at": "2021-11-28T01:34:36.480000Z",
"spacegroup": 1
},
{
"id": "mp-1522549",
"created_at": "2022-09-04T14:41:25.688961Z",
"structure_string": "Na1 Sr1 La1 Se1 O6\n1.0\n0.000000 -4.144710 -4.144710\n4.144710 0.000000 -4.144710\n4.144710 -4.144710 0.000000\nNa Sr La Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n0.720643 0.279357 0.279357 O\n0.279357 0.720643 0.720643 O\n0.720643 0.279357 0.720643 O\n0.279357 0.720643 0.279357 O\n0.720643 0.720643 0.279357 O\n0.279357 0.279357 0.720643 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"La",
"Se",
"O"
],
"chemical_system": "La-Na-O-Se-Sr",
"density": 4.949773583554163,
"density_atomic": 0.07022432243330883,
"volume": 142.4008043580182,
"volume_molar": 8.57557688181207,
"formula_full": "Na1 Sr1 La1 Se1 O6",
"formula_reduced": "NaSrLaSeO6",
"formula_anonymous": "ABCDE6",
"energy": -64.92386443000001,
"energy_per_atom": -6.492386443000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -60.80186443000001,
"band_gap": 2.2349,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.234000Z",
"spacegroup": 216
},
{
"id": "mp-1519169",
"created_at": "2022-09-04T14:41:04.239457Z",
"structure_string": "Sr1 Ca1 La1 Bi1 O6\n1.0\n0.000000 -4.270621 -4.270621\n4.270621 0.000000 -4.270621\n4.270621 -4.270621 -0.000000\nSr Ca La Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 La\n-0.000000 0.000000 0.000000 Bi\n0.756322 0.243678 0.243678 O\n0.243678 0.756322 0.756322 O\n0.756322 0.243678 0.756322 O\n0.243678 0.756322 0.243678 O\n0.756322 0.756322 0.243678 O\n0.243678 0.243678 0.756322 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"La",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-La-O-Sr",
"density": 6.09288859229532,
"density_atomic": 0.06419436547465279,
"volume": 155.77691166600144,
"volume_molar": 9.381104892107468,
"formula_full": "Sr1 Ca1 La1 Bi1 O6",
"formula_reduced": "SrCaLaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.14445446,
"energy_per_atom": -6.814445446000001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -64.02245446,
"band_gap": 2.2594,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.677000Z",
"spacegroup": 216
},
{
"id": "mp-1020723",
"created_at": "2022-09-04T14:40:17.398499Z",
"structure_string": "Sr16 Ga16 O40\n1.0\n9.729460 0.000000 0.000000\n0.000000 10.115107 0.000000\n0.000000 0.000000 10.812253\nSr Ga O\n16 16 40\ndirect\n0.995640 0.496789 0.255492 Sr\n0.504360 0.996789 0.744508 Sr\n0.495640 0.503211 0.244508 Sr\n0.004360 0.003211 0.755492 Sr\n0.004360 0.503211 0.744508 Sr\n0.495640 0.003211 0.255492 Sr\n0.504360 0.496789 0.755492 Sr\n0.995640 0.996789 0.244508 Sr\n0.751291 0.254001 0.273962 Sr\n0.748709 0.754001 0.726038 Sr\n0.251291 0.745999 0.226038 Sr\n0.248709 0.245999 0.773962 Sr\n0.248709 0.745999 0.726038 Sr\n0.251291 0.245999 0.273962 Sr\n0.748709 0.254001 0.773962 Sr\n0.751291 0.754001 0.226038 Sr\n0.732660 0.533486 0.493756 Ga\n0.767340 0.033486 0.506244 Ga\n0.232660 0.466514 0.006244 Ga\n0.267340 0.966514 0.993756 Ga\n0.267340 0.466514 0.506244 Ga\n0.232660 0.966514 0.493756 Ga\n0.767340 0.533486 0.993756 Ga\n0.732660 0.033486 0.006244 Ga\n0.961303 0.766490 0.469076 Ga\n0.538697 0.266490 0.530924 Ga\n0.461303 0.233510 0.030924 Ga\n0.038697 0.733510 0.969076 Ga\n0.038697 0.233510 0.530924 Ga\n0.461303 0.733510 0.469076 Ga\n0.538697 0.766490 0.969076 Ga\n0.961303 0.266490 0.030924 Ga\n0.009063 0.737326 0.306047 O\n0.490937 0.237326 0.693953 O\n0.509063 0.262674 0.193953 O\n0.990937 0.762674 0.806047 O\n0.990937 0.262674 0.693953 O\n0.509063 0.762674 0.306047 O\n0.490937 0.737326 0.806047 O\n0.009063 0.237326 0.193953 O\n0.892181 0.619228 0.558796 O\n0.607819 0.119228 0.441204 O\n0.392181 0.380772 0.941204 O\n0.107819 0.880772 0.058796 O\n0.107819 0.380772 0.441204 O\n0.392181 0.880772 0.558796 O\n0.607819 0.619228 0.058796 O\n0.892181 0.119228 0.941204 O\n0.743582 0.513207 0.323663 O\n0.756418 0.013207 0.676337 O\n0.243582 0.486793 0.176337 O\n0.256418 0.986793 0.823663 O\n0.256418 0.486793 0.676337 O\n0.243582 0.986793 0.323663 O\n0.756418 0.513207 0.823663 O\n0.743582 0.013207 0.176337 O\n0.588731 0.638092 0.562608 O\n0.911269 0.138092 0.437392 O\n0.088731 0.361908 0.937392 O\n0.411269 0.861908 0.062608 O\n0.411269 0.361908 0.437392 O\n0.088731 0.861908 0.562608 O\n0.911269 0.638092 0.062608 O\n0.588731 0.138092 0.937392 O\n0.698798 0.369408 0.564918 O\n0.801202 0.869408 0.435082 O\n0.198798 0.630592 0.935082 O\n0.301202 0.130592 0.064918 O\n0.301202 0.630592 0.435082 O\n0.198798 0.130592 0.564918 O\n0.801202 0.369408 0.064918 O\n0.698798 0.869408 0.935082 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"O"
],
"chemical_system": "Ga-O-Sr",
"density": 4.927334971322638,
"density_atomic": 0.06766390825372993,
"volume": 1064.0827859072276,
"volume_molar": 8.90007821809204,
"formula_full": "Sr16 Ga16 O40",
"formula_reduced": "Sr2Ga2O5",
"formula_anonymous": "A2B2C5",
"energy": -471.42823692,
"energy_per_atom": -6.547614401666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -443.94823692,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.069000Z",
"spacegroup": 61
},
{
"id": "mp-768194",
"created_at": "2022-09-04T14:41:16.110892Z",
"structure_string": "Li12 Sb4 S12\n1.0\n14.920730 0.000000 0.000000\n0.000000 6.216295 0.000000\n0.000000 5.428621 6.583007\nLi Sb S\n12 4 12\ndirect\n0.646041 0.650739 0.526397 Li\n0.425363 0.957875 0.152964 Li\n0.925363 0.042125 0.347036 Li\n0.146041 0.349261 0.973603 Li\n0.737696 0.016229 0.104218 Li\n0.237696 0.983771 0.395782 Li\n0.762304 0.016229 0.604218 Li\n0.262304 0.983771 0.895782 Li\n0.853959 0.650739 0.026397 Li\n0.074637 0.957875 0.652964 Li\n0.574637 0.042125 0.847036 Li\n0.353959 0.349261 0.473603 Li\n0.902953 0.310983 0.764388 Sb\n0.402953 0.689017 0.735612 Sb\n0.597047 0.310983 0.264388 Sb\n0.097047 0.689017 0.235612 Sb\n0.898193 0.910582 0.131686 S\n0.262039 0.742279 0.256957 S\n0.416296 0.255544 0.773166 S\n0.762039 0.257721 0.243043 S\n0.916296 0.744456 0.726834 S\n0.398193 0.089418 0.368314 S\n0.601807 0.910582 0.631686 S\n0.083704 0.255544 0.273166 S\n0.237961 0.742279 0.756957 S\n0.583704 0.744456 0.226834 S\n0.737961 0.257721 0.743043 S\n0.101807 0.089418 0.868314 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.597510994028461,
"density_atomic": 0.045857674433845905,
"volume": 610.5848224029041,
"volume_molar": 13.132241951535322,
"formula_full": "Li12 Sb4 S12",
"formula_reduced": "Li3SbS3",
"formula_anonymous": "AB3C3",
"energy": -120.33109339,
"energy_per_atom": -4.297539049642857,
"energy_above_hull": null,
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"band_gap": 1.3892999999999998,
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"updated_at": "2021-11-28T01:35:26.530000Z",
"spacegroup": 14
},
{
"id": "mp-30488",
"created_at": "2022-09-04T14:41:05.505628Z",
"structure_string": "Cd1 Hg2\n1.0\n-2.052865 2.052865 4.492229\n2.052865 -2.052865 4.492229\n2.052865 2.052865 -4.492229\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333281 0.333281 0.000000 Hg\n0.666719 0.666719 0.000000 Hg\n",
"nsites": 3,
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"elements": [
"Cd",
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],
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"density": 11.262215753654495,
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"volume": 75.72558885469955,
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"formula_full": "Cd1 Hg2",
"formula_reduced": "CdHg2",
"formula_anonymous": "AB2",
"energy": -1.43586019,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:13.752000Z",
"spacegroup": 139
},
{
"id": "mp-33432",
"created_at": "2022-09-04T14:40:39.919714Z",
"structure_string": "Mg2 Fe4 O8\n1.0\n-3.005697 3.013611 4.259816\n3.005697 -3.013611 4.259816\n3.005697 3.013611 -4.259816\nMg Fe O\n2 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.117144 0.367144 0.750000 Fe\n0.882856 0.632856 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.746603 0.761318 0.514715 O\n0.746603 0.231888 0.985285 O\n0.271010 0.761003 0.510007 O\n0.253397 0.238682 0.485285 O\n0.249005 0.238997 0.010007 O\n0.253397 0.768112 0.014715 O\n0.750995 0.761003 0.989993 O\n0.728990 0.238997 0.489993 O\n",
"nsites": 14,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.303380995015868,
"density_atomic": 0.0907078375569656,
"volume": 154.34167958427886,
"volume_molar": 6.6390522827953244,
"formula_full": "Mg2 Fe4 O8",
"formula_reduced": "Mg(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -106.17396785,
"energy_per_atom": -7.583854846428571,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:05.294000Z",
"spacegroup": 74
},
{
"id": "mp-1097526",
"created_at": "2022-09-04T14:40:11.721314Z",
"structure_string": "Li1 Hg2 Au1\n1.0\n-5.401849 5.578494 7.871062\n5.401849 -5.578494 7.871062\n5.401849 5.578494 -7.871062\nLi Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.244469 0.244469 Hg\n0.000000 0.755531 0.755531 Hg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
],
"chemical_system": "Au-Hg-Li",
"density": 1.059045436867533,
"density_atomic": 0.004216064596928437,
"volume": 948.7520667767169,
"volume_molar": 142.8379623117577,
"formula_full": "Li1 Hg2 Au1",
"formula_reduced": "LiHg2Au",
"formula_anonymous": "ABC2",
"energy": -4.46277878,
"energy_per_atom": -1.115694695,
"energy_above_hull": null,
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"energy_uncorrected": -4.46277878,
"band_gap": 1.7888000000000006,
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"updated_at": "2021-11-28T01:34:48.251000Z",
"spacegroup": 71
},
{
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{
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}