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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10128",
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"results": [
{
"id": "mp-1219283",
"created_at": "2022-09-04T14:40:17.497174Z",
"structure_string": "Sr12 Cd72\n1.0\n-8.059331 8.093859 8.147473\n8.059331 -8.093859 8.147473\n8.059331 8.093859 -8.147473\nSr Cd\n12 72\ndirect\n0.812727 0.517299 0.704572 Sr\n0.187273 0.482701 0.295428 Sr\n0.187273 0.891845 0.704572 Sr\n0.812727 0.108155 0.295428 Sr\n0.112897 0.301516 0.811382 Sr\n0.887103 0.698484 0.188618 Sr\n0.490134 0.301516 0.188618 Sr\n0.509866 0.698484 0.811382 Sr\n0.299551 0.186498 0.486049 Sr\n0.700449 0.813502 0.513951 Sr\n0.299551 0.813502 0.113053 Sr\n0.700449 0.186498 0.886947 Sr\n0.000042 0.677554 0.002345 Cd\n0.324791 0.322446 0.322488 Cd\n0.999958 0.002303 0.677512 Cd\n0.675209 0.997697 0.997655 Cd\n0.999958 0.322446 0.997655 Cd\n0.675209 0.677554 0.677512 Cd\n0.000042 0.997697 0.322488 Cd\n0.324791 0.002303 0.002345 Cd\n0.738085 0.641794 0.903709 Cd\n0.261915 0.358206 0.096291 Cd\n0.261915 0.165624 0.903709 Cd\n0.738085 0.834376 0.096291 Cd\n0.854649 0.093764 0.760885 Cd\n0.145351 0.906236 0.239115 Cd\n0.332879 0.093764 0.239115 Cd\n0.667121 0.906236 0.760885 Cd\n0.096140 0.244463 0.340603 Cd\n0.903860 0.755537 0.659397 Cd\n0.096140 0.755537 0.851677 Cd\n0.903860 0.244463 0.148323 Cd\n0.595972 0.251254 0.655282 Cd\n0.404028 0.748746 0.344718 Cd\n0.404028 0.059310 0.655282 Cd\n0.595972 0.940690 0.344718 Cd\n0.942485 0.346449 0.596036 Cd\n0.057515 0.653551 0.403964 Cd\n0.750413 0.346449 0.403964 Cd\n0.249587 0.653551 0.596036 Cd\n0.344017 0.403054 0.747071 Cd\n0.655983 0.596946 0.252929 Cd\n0.344017 0.596946 0.940962 Cd\n0.655983 0.403054 0.059038 Cd\n0.587645 0.587645 0.000000 Cd\n0.412355 0.412355 0.000000 Cd\n0.592989 0.000000 0.592989 Cd\n0.407011 0.000000 0.407011 Cd\n0.000000 0.406415 0.406415 Cd\n0.000000 0.593585 0.593585 Cd\n0.777264 0.455016 0.919444 Cd\n0.464428 0.544984 0.322248 Cd\n0.222736 0.142180 0.677752 Cd\n0.535572 0.857820 0.080556 Cd\n0.858810 0.081351 0.540407 Cd\n0.141190 0.681597 0.222541 Cd\n0.540944 0.318403 0.459593 Cd\n0.459056 0.918649 0.777459 Cd\n0.316735 0.458832 0.542038 Cd\n0.916794 0.774697 0.457962 Cd\n0.083206 0.541168 0.857903 Cd\n0.683265 0.225303 0.142097 Cd\n0.222736 0.544984 0.080556 Cd\n0.535572 0.455016 0.677752 Cd\n0.777264 0.857820 0.322248 Cd\n0.464428 0.142180 0.919444 Cd\n0.141190 0.918649 0.459593 Cd\n0.858810 0.318403 0.777459 Cd\n0.459056 0.681597 0.540407 Cd\n0.540944 0.081351 0.222541 Cd\n0.683265 0.541168 0.457962 Cd\n0.083206 0.225303 0.542038 Cd\n0.916794 0.458832 0.142097 Cd\n0.316735 0.774697 0.857903 Cd\n0.500000 0.313139 0.813139 Cd\n0.500000 0.686861 0.186861 Cd\n0.691713 0.191713 0.500000 Cd\n0.308287 0.808287 0.500000 Cd\n0.187312 0.500000 0.687312 Cd\n0.812688 0.500000 0.312688 Cd\n0.913013 0.821888 0.908875 Cd\n0.086987 0.178112 0.091125 Cd\n0.086987 0.995862 0.908875 Cd\n0.913013 0.004138 0.091125 Cd\n",
"nsites": 84,
"nelements": 2,
"elements": [
"Sr",
"Cd"
],
"chemical_system": "Cd-Sr",
"density": 7.143265273565781,
"density_atomic": 0.03951315768142878,
"volume": 2125.874137350457,
"volume_molar": 15.240849158533369,
"formula_full": "Sr12 Cd72",
"formula_reduced": "SrCd6",
"formula_anonymous": "AB6",
"energy": -102.99380351,
"energy_per_atom": -1.226116708452381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.99380351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.061000Z",
"spacegroup": 71
},
{
"id": "mp-7771",
"created_at": "2022-09-04T14:43:21.229624Z",
"structure_string": "Sr1 Cd2 As2\n1.0\n2.262946 -3.919538 0.000000\n2.262946 3.919538 0.000000\n0.000000 0.000000 7.496635\nSr Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.632489 Cd\n0.666667 0.333333 0.367511 Cd\n0.666667 0.333333 0.750418 As\n0.333333 0.666667 0.249582 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"As"
],
"chemical_system": "As-Cd-Sr",
"density": 5.772363281423372,
"density_atomic": 0.037597985194637466,
"volume": 132.98584948411388,
"volume_molar": 16.01719009363014,
"formula_full": "Sr1 Cd2 As2",
"formula_reduced": "Sr(CdAs)2",
"formula_anonymous": "AB2C2",
"energy": -15.97752752,
"energy_per_atom": -3.195505504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.97752752,
"band_gap": 0.1347999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002564,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.826000Z",
"spacegroup": 164
},
{
"id": "mp-1190367",
"created_at": "2022-09-04T14:41:20.647090Z",
"structure_string": "Sr2 Cd2 As4 O14\n1.0\n5.898475 0.000000 0.000000\n-1.103892 7.199767 0.000000\n-0.048518 -1.501637 7.477306\nSr Cd As O\n2 2 4 14\ndirect\n0.690344 0.274750 0.935720 Sr\n0.309656 0.725250 0.064280 Sr\n0.315501 0.832325 0.600852 Cd\n0.684499 0.167675 0.399148 Cd\n0.817276 0.778833 0.820640 As\n0.182724 0.221167 0.179360 As\n0.792380 0.669085 0.386222 As\n0.207620 0.330915 0.613778 As\n0.934481 0.225182 0.641229 O\n0.065519 0.774818 0.358771 O\n0.767600 0.634455 0.970191 O\n0.232400 0.365545 0.029809 O\n0.786959 0.618514 0.607515 O\n0.213041 0.381486 0.392485 O\n0.605752 0.916966 0.823403 O\n0.394248 0.083034 0.176597 O\n0.588431 0.815502 0.375561 O\n0.411569 0.184498 0.624439 O\n0.285969 0.553672 0.732071 O\n0.714031 0.446328 0.267929 O\n0.091591 0.896960 0.839686 O\n0.908409 0.103040 0.160314 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"As",
"O"
],
"chemical_system": "As-Cd-O-Sr",
"density": 4.830538061392911,
"density_atomic": 0.06928182860659587,
"volume": 317.5435816644355,
"volume_molar": 8.692237028262664,
"formula_full": "Sr2 Cd2 As4 O14",
"formula_reduced": "SrCdAs2O7",
"formula_anonymous": "ABC2D7",
"energy": -139.48535687999998,
"energy_per_atom": -6.3402434945454536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.86735688,
"band_gap": 2.4738,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.886000Z",
"spacegroup": 2
},
{
"id": "mp-1095513",
"created_at": "2022-09-04T14:43:22.390924Z",
"structure_string": "Sr4 Cd4 Au4\n1.0\n4.569854 0.000000 0.000000\n0.000000 7.918690 0.000000\n0.000000 0.000000 9.020891\nSr Cd Au\n4 4 4\ndirect\n0.250000 0.033830 0.315680 Sr\n0.250000 0.533830 0.184320 Sr\n0.750000 0.966170 0.684320 Sr\n0.750000 0.466170 0.815680 Sr\n0.250000 0.145379 0.936381 Cd\n0.250000 0.645379 0.563619 Cd\n0.750000 0.854621 0.063619 Cd\n0.750000 0.354621 0.436381 Cd\n0.250000 0.264361 0.624038 Au\n0.250000 0.764361 0.875962 Au\n0.750000 0.735639 0.375962 Au\n0.750000 0.235639 0.124038 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Sr",
"density": 8.077776525932327,
"density_atomic": 0.03676005427917302,
"volume": 326.4413025309048,
"volume_molar": 16.382295614323773,
"formula_full": "Sr4 Cd4 Au4",
"formula_reduced": "SrCdAu",
"formula_anonymous": "ABC",
"energy": -30.79243429,
"energy_per_atom": -2.566036190833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.79243429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0140093,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.957000Z",
"spacegroup": 62
},
{
"id": "mp-1097215",
"created_at": "2022-09-04T14:46:52.392782Z",
"structure_string": "Sr1 Cd1 Au2\n1.0\n-5.792116 6.381748 9.014437\n5.792116 -6.381748 9.014437\n5.792116 6.381748 -9.014437\nSr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.248151 0.248151 Au\n0.000000 0.751849 0.751849 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Sr",
"density": 0.7400035795885637,
"density_atomic": 0.003001127802585436,
"volume": 1332.8322761043523,
"volume_molar": 200.6625894042899,
"formula_full": "Sr1 Cd1 Au2",
"formula_reduced": "SrCdAu2",
"formula_anonymous": "ABC2",
"energy": -7.10514096,
"energy_per_atom": -1.77628524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.10514096,
"band_gap": 0.9465,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.324000Z",
"spacegroup": 71
},
{
"id": "mp-1195626",
"created_at": "2022-09-04T14:39:20.407320Z",
"structure_string": "Sr4 Cd4 B8 O20\n1.0\n5.160688 3.864482 0.000000\n-5.160688 3.864482 0.000000\n0.000000 1.778621 11.125131\nSr Cd B O\n4 4 8 20\ndirect\n0.632732 0.367268 0.750000 Sr\n0.367268 0.632732 0.250000 Sr\n0.816109 0.183891 0.250000 Sr\n0.183891 0.816109 0.750000 Sr\n0.066636 0.262570 0.556801 Cd\n0.737430 0.933364 0.943199 Cd\n0.933364 0.737430 0.443199 Cd\n0.262570 0.066636 0.056801 Cd\n0.543492 0.270440 0.503747 B\n0.729560 0.456508 0.996253 B\n0.456508 0.729560 0.496253 B\n0.270440 0.543492 0.003747 B\n0.131455 0.324496 0.831327 B\n0.675504 0.868545 0.668673 B\n0.868545 0.675504 0.168673 B\n0.324496 0.131455 0.331327 B\n0.379269 0.187562 0.596275 O\n0.812438 0.620731 0.903725 O\n0.620731 0.812438 0.403725 O\n0.187562 0.379269 0.096275 O\n0.029202 0.385330 0.740070 O\n0.614670 0.970798 0.759930 O\n0.970798 0.614670 0.259930 O\n0.385330 0.029202 0.240070 O\n0.755638 0.364194 0.523697 O\n0.635806 0.244362 0.976303 O\n0.244362 0.635806 0.476303 O\n0.364194 0.755638 0.023697 O\n0.115786 0.127952 0.372437 O\n0.872048 0.884214 0.127563 O\n0.884214 0.872048 0.627563 O\n0.127952 0.115786 0.872437 O\n0.503459 0.269470 0.381318 O\n0.730530 0.496541 0.118682 O\n0.496541 0.730530 0.618682 O\n0.269470 0.503459 0.881318 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O-Sr",
"density": 4.515214603824219,
"density_atomic": 0.08112757209915604,
"volume": 443.74556107755757,
"volume_molar": 7.423050640095081,
"formula_full": "Sr4 Cd4 B8 O20",
"formula_reduced": "SrCdB2O5",
"formula_anonymous": "ABC2D5",
"energy": -261.28222202,
"energy_per_atom": -7.257839500555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -247.54222202,
"band_gap": 3.5306,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031843,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.611000Z",
"spacegroup": 15
},
{
"id": "mp-1200882",
"created_at": "2022-09-04T14:40:04.366522Z",
"structure_string": "Sr8 Cd8 B16 O40\n1.0\n5.858791 0.000000 0.000000\n0.000000 12.179646 0.000000\n0.000000 0.000000 12.816982\nSr Cd B O\n8 8 16 40\ndirect\n0.885741 0.619403 0.412269 Sr\n0.614259 0.119403 0.587731 Sr\n0.385741 0.380597 0.087731 Sr\n0.114259 0.880597 0.912269 Sr\n0.114259 0.380597 0.587731 Sr\n0.385741 0.880597 0.412269 Sr\n0.614259 0.619403 0.912269 Sr\n0.885741 0.119403 0.087731 Sr\n0.128914 0.632618 0.735342 Cd\n0.371086 0.132618 0.264658 Cd\n0.628914 0.367382 0.764658 Cd\n0.871086 0.867382 0.235342 Cd\n0.871086 0.367382 0.264658 Cd\n0.628914 0.867382 0.735342 Cd\n0.371086 0.632618 0.235342 Cd\n0.128914 0.132618 0.764658 Cd\n0.626145 0.611532 0.673204 B\n0.873855 0.111532 0.326796 B\n0.126145 0.388468 0.826796 B\n0.373855 0.888468 0.173204 B\n0.373855 0.388468 0.326796 B\n0.126145 0.888468 0.673204 B\n0.873855 0.611532 0.173204 B\n0.626145 0.111532 0.826796 B\n0.377870 0.621922 0.511533 B\n0.122130 0.121922 0.488467 B\n0.877870 0.378078 0.988467 B\n0.622130 0.878078 0.011533 B\n0.622130 0.378078 0.488467 B\n0.877870 0.878078 0.511533 B\n0.122130 0.621922 0.011533 B\n0.377870 0.121922 0.988467 B\n0.175859 0.591816 0.557474 O\n0.324141 0.091816 0.442526 O\n0.675859 0.408184 0.942526 O\n0.824141 0.908184 0.057474 O\n0.824141 0.408184 0.442526 O\n0.675859 0.908184 0.557474 O\n0.324141 0.591816 0.057474 O\n0.175859 0.091816 0.942526 O\n0.589747 0.602164 0.564952 O\n0.910253 0.102164 0.435048 O\n0.089747 0.397836 0.935048 O\n0.410253 0.897836 0.064952 O\n0.410253 0.397836 0.435048 O\n0.089747 0.897836 0.564952 O\n0.910253 0.602164 0.064952 O\n0.589747 0.102164 0.935048 O\n0.503426 0.687702 0.729646 O\n0.996574 0.187702 0.270354 O\n0.003426 0.312298 0.770354 O\n0.496574 0.812298 0.229646 O\n0.496574 0.312298 0.270354 O\n0.003426 0.812298 0.729646 O\n0.996574 0.687702 0.229646 O\n0.503426 0.187702 0.770354 O\n0.783900 0.545377 0.721923 O\n0.716100 0.045377 0.278077 O\n0.283900 0.454623 0.778077 O\n0.216100 0.954623 0.221923 O\n0.216100 0.454623 0.278077 O\n0.283900 0.954623 0.721923 O\n0.716100 0.545377 0.221923 O\n0.783900 0.045377 0.778077 O\n0.103138 0.669816 0.915637 O\n0.396862 0.169816 0.084363 O\n0.603138 0.330184 0.584363 O\n0.896862 0.830184 0.415637 O\n0.896862 0.330184 0.084363 O\n0.603138 0.830184 0.915637 O\n0.396862 0.669816 0.415637 O\n0.103138 0.169816 0.584363 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O-Sr",
"density": 4.381410737173769,
"density_atomic": 0.07872343768002205,
"volume": 914.5942062724698,
"volume_molar": 7.649743122851789,
"formula_full": "Sr8 Cd8 B16 O40",
"formula_reduced": "SrCdB2O5",
"formula_anonymous": "ABC2D5",
"energy": -522.55504793,
"energy_per_atom": -7.257708999027778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -495.07504793,
"band_gap": 3.2543999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.028000Z",
"spacegroup": 61
},
{
"id": "mp-568501",
"created_at": "2022-09-04T14:41:00.494309Z",
"structure_string": "Sr2 Cd2 Bi4\n1.0\n-2.348880 2.348880 11.675968\n2.348880 -2.348880 11.675968\n2.348880 2.348880 -11.675968\nSr Cd Bi\n2 2 4\ndirect\n0.114765 0.114765 0.000000 Sr\n0.885235 0.885235 0.000000 Sr\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.663155 0.663155 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.336845 0.336845 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd-Sr",
"density": 7.9650271087369395,
"density_atomic": 0.03104669959867162,
"volume": 257.676342523129,
"volume_molar": 19.397040064953206,
"formula_full": "Sr2 Cd2 Bi4",
"formula_reduced": "SrCdBi2",
"formula_anonymous": "ABC2",
"energy": -24.43075135,
"energy_per_atom": -3.05384391875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -24.43075135,
"band_gap": 0.0,
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"total_magnetization": 0.0022792,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.869000Z",
"spacegroup": 139
},
{
"id": "mp-1218329",
"created_at": "2022-09-04T14:39:13.198136Z",
"structure_string": "Sr2 Cd2 Ga2\n1.0\n2.449169 5.769072 0.000000\n-2.449169 5.769072 0.000000\n0.000000 5.468798 5.784681\nSr Cd Ga\n2 2 2\ndirect\n0.543409 0.543409 0.708514 Sr\n0.456591 0.456591 0.291486 Sr\n0.826254 0.826254 0.113091 Cd\n0.173746 0.173746 0.886909 Cd\n0.151974 0.151974 0.299676 Ga\n0.848026 0.848026 0.700324 Ga\n",
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{
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{
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{
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}