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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10238",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10236",
"results": [
{
"id": "mp-1201132",
"created_at": "2022-09-04T14:46:33.637117Z",
"structure_string": "Sr2 Mn6 P6 O24\n1.0\n-3.354098 5.220064 7.033851\n3.354098 -5.220064 7.033851\n3.354098 5.220064 -7.033851\nSr Mn P O\n2 6 6 24\ndirect\n0.250000 0.356973 0.106973 Sr\n0.750000 0.643027 0.893027 Sr\n0.118046 0.118046 0.500000 Mn\n0.381954 0.881954 0.000000 Mn\n0.618046 0.118046 0.000000 Mn\n0.881954 0.881954 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.250000 0.842980 0.592980 P\n0.750000 0.157020 0.407020 P\n0.323544 0.323544 0.500000 P\n0.176456 0.676456 0.000000 P\n0.823544 0.323544 0.000000 P\n0.676456 0.676456 0.500000 P\n0.160695 0.621582 0.460887 O\n0.839305 0.378418 0.539113 O\n0.660695 0.199808 0.539113 O\n0.339305 0.800192 0.460887 O\n0.132695 0.989545 0.622240 O\n0.632695 0.010455 0.143149 O\n0.867305 0.010455 0.377760 O\n0.367305 0.989545 0.856851 O\n0.428939 0.560654 0.721988 O\n0.161333 0.439346 0.868284 O\n0.928939 0.206951 0.868284 O\n0.661333 0.793049 0.721988 O\n0.571061 0.439346 0.278012 O\n0.838667 0.560654 0.131716 O\n0.071061 0.793049 0.131716 O\n0.338667 0.206951 0.278012 O\n0.138782 0.301061 0.440646 O\n0.139585 0.698939 0.837721 O\n0.638782 0.198136 0.837721 O\n0.639585 0.801864 0.440646 O\n0.861218 0.698939 0.559354 O\n0.860415 0.301061 0.162279 O\n0.361218 0.801864 0.162279 O\n0.360415 0.198136 0.559354 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr",
"density": 3.6226817026771667,
"density_atomic": 0.0771398634341091,
"volume": 492.6117095405365,
"volume_molar": 7.8067817233614365,
"formula_full": "Sr2 Mn6 P6 O24",
"formula_reduced": "SrMn3(PO4)3",
"formula_anonymous": "AB3C3D12",
"energy": -312.99383878,
"energy_per_atom": -8.236679967894736,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -286.49783878,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.000739,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.860000Z",
"spacegroup": 74
},
{
"id": "mp-554634",
"created_at": "2022-09-04T14:42:50.912283Z",
"structure_string": "Sr3 Mn15 S18 O72\n1.0\n7.418065 -12.848466 0.000000\n7.418065 12.848466 0.000000\n0.000000 0.000000 7.596540\nSr Mn S O\n3 15 18 72\ndirect\n0.666667 0.333333 0.001028 Sr\n0.333333 0.666667 0.998972 Sr\n0.000000 0.000000 0.500000 Sr\n0.001616 0.346939 0.964903 Mn\n0.654677 0.001616 0.035097 Mn\n0.323144 0.004964 0.545559 Mn\n0.666667 0.333333 0.501639 Mn\n0.346939 0.345323 0.035097 Mn\n0.653061 0.654677 0.964903 Mn\n0.998384 0.653061 0.035097 Mn\n0.995036 0.318180 0.545559 Mn\n0.333333 0.666667 0.498361 Mn\n0.004964 0.681820 0.454441 Mn\n0.676856 0.995036 0.454441 Mn\n0.000000 0.000000 0.000000 Mn\n0.681820 0.676856 0.545559 Mn\n0.318180 0.323144 0.454441 Mn\n0.345323 0.998384 0.964903 Mn\n0.773973 0.902331 0.757044 S\n0.440913 0.236215 0.744302 S\n0.569911 0.460847 0.259169 S\n0.430089 0.539153 0.740831 S\n0.204698 0.440913 0.255698 S\n0.559087 0.763785 0.255698 S\n0.763785 0.204698 0.744302 S\n0.460847 0.890936 0.740831 S\n0.890936 0.430089 0.259169 S\n0.109064 0.569911 0.740831 S\n0.871642 0.773973 0.242956 S\n0.097669 0.871642 0.757044 S\n0.902331 0.128358 0.242956 S\n0.226027 0.097669 0.242956 S\n0.128358 0.226027 0.757044 S\n0.236215 0.795302 0.255698 S\n0.795302 0.559087 0.744302 S\n0.539153 0.109064 0.259169 S\n0.424498 0.968946 0.744794 O\n0.244789 0.366041 0.239343 O\n0.410295 0.277531 0.594952 O\n0.495228 0.110248 0.082457 O\n0.255312 0.044419 0.111495 O\n0.867236 0.589705 0.594952 O\n0.415947 0.630705 0.709996 O\n0.252611 0.705073 0.286134 O\n0.845580 0.556648 0.912744 O\n0.919344 0.039301 0.205452 O\n0.083911 0.621800 0.600876 O\n0.154420 0.443352 0.087256 O\n0.747389 0.294927 0.713866 O\n0.080656 0.960699 0.794548 O\n0.210893 0.255312 0.888505 O\n0.944022 0.166681 0.423549 O\n0.889752 0.384980 0.082457 O\n0.089574 0.302069 0.758811 O\n0.575502 0.031054 0.255206 O\n0.277531 0.867236 0.405048 O\n0.378200 0.462111 0.600876 O\n0.615020 0.504772 0.082457 O\n0.916089 0.378200 0.399124 O\n0.630705 0.214758 0.290004 O\n0.547538 0.252611 0.713866 O\n0.039301 0.119957 0.794548 O\n0.222660 0.055978 0.423549 O\n0.132764 0.410295 0.405048 O\n0.878748 0.244789 0.760657 O\n0.443352 0.288932 0.912744 O\n0.697931 0.787505 0.758811 O\n0.537889 0.916089 0.600876 O\n0.785242 0.415947 0.290004 O\n0.633959 0.878748 0.239343 O\n0.294927 0.547538 0.286134 O\n0.556648 0.711068 0.087256 O\n0.705073 0.452462 0.713866 O\n0.366041 0.121252 0.760657 O\n0.960699 0.880043 0.205452 O\n0.452462 0.747389 0.286134 O\n0.584053 0.369295 0.290004 O\n0.110248 0.615020 0.917543 O\n0.880043 0.919344 0.794548 O\n0.722469 0.132764 0.594952 O\n0.302069 0.212495 0.241189 O\n0.711068 0.154420 0.912744 O\n0.589705 0.722469 0.405048 O\n0.031054 0.455552 0.744794 O\n0.968946 0.544448 0.255206 O\n0.955581 0.210893 0.111495 O\n0.288932 0.845580 0.087256 O\n0.455552 0.424498 0.255206 O\n0.504772 0.889752 0.917543 O\n0.755211 0.633959 0.760657 O\n0.621800 0.537889 0.399124 O\n0.044419 0.789107 0.888505 O\n0.369295 0.785242 0.709996 O\n0.787505 0.089574 0.241189 O\n0.544448 0.575502 0.744794 O\n0.744688 0.955581 0.888505 O\n0.789107 0.744688 0.111495 O\n0.121252 0.755211 0.239343 O\n0.462111 0.083911 0.399124 O\n0.119957 0.080656 0.205452 O\n0.212495 0.910426 0.758811 O\n0.055978 0.833319 0.576451 O\n0.384980 0.495228 0.917543 O\n0.910426 0.697931 0.241189 O\n0.214758 0.584053 0.709996 O\n0.833319 0.777340 0.423549 O\n0.777340 0.944022 0.576451 O\n0.166681 0.222660 0.576451 O\n",
"nsites": 108,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"S",
"O"
],
"chemical_system": "Mn-O-S-Sr",
"density": 3.2292589590860685,
"density_atomic": 0.0745823420011486,
"volume": 1448.0639398309152,
"volume_molar": 8.074485995501798,
"formula_full": "Sr3 Mn15 S18 O72",
"formula_reduced": "SrMn5(SO4)6",
"formula_anonymous": "AB5C6D24",
"energy": -805.76292257,
"energy_per_atom": -7.460767801574074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -731.27892257,
"band_gap": 4.639,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 75.4326879,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.919000Z",
"spacegroup": 147
},
{
"id": "mp-1246259",
"created_at": "2022-09-04T14:41:10.295578Z",
"structure_string": "Sr2 Mn14 N20\n1.0\n6.957322 0.000000 0.075070\n0.000000 6.837799 0.000000\n-2.582576 0.000000 9.748307\nSr Mn N\n2 14 20\ndirect\n0.896832 0.034512 0.617426 Sr\n0.896832 0.965488 0.117426 Sr\n0.543820 0.008347 0.834040 Mn\n0.543820 0.991653 0.334040 Mn\n0.358144 0.020178 0.013750 Mn\n0.358144 0.979822 0.513750 Mn\n0.100032 0.404969 0.077678 Mn\n0.100032 0.595031 0.577678 Mn\n0.681273 0.385985 0.975932 Mn\n0.681273 0.614015 0.475932 Mn\n0.865964 0.651237 0.814251 Mn\n0.865964 0.348763 0.314251 Mn\n0.306625 0.611795 0.897283 Mn\n0.306625 0.388205 0.397283 Mn\n0.470574 0.375319 0.693214 Mn\n0.470574 0.624681 0.193214 Mn\n0.762075 0.878482 0.842702 N\n0.762075 0.121518 0.342702 N\n0.559388 0.160195 0.983135 N\n0.559388 0.839805 0.483135 N\n0.347545 0.859616 0.867019 N\n0.347545 0.140384 0.367019 N\n0.168351 0.173060 0.029292 N\n0.168351 0.826940 0.529292 N\n0.261393 0.494357 0.732712 N\n0.261393 0.505643 0.232712 N\n0.447999 0.115278 0.668291 N\n0.447999 0.884722 0.168291 N\n0.877034 0.365711 0.135878 N\n0.877034 0.634289 0.635878 N\n0.076225 0.590210 0.948321 N\n0.076225 0.409790 0.448321 N\n0.696707 0.459903 0.802447 N\n0.696707 0.540097 0.302447 N\n0.522317 0.542717 0.035930 N\n0.522317 0.457283 0.535930 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 4.372027830880671,
"density_atomic": 0.07740609885295482,
"volume": 465.07963239935026,
"volume_molar": 7.779930585883177,
"formula_full": "Sr2 Mn14 N20",
"formula_reduced": "SrMn7N10",
"formula_anonymous": "AB7C10",
"energy": -314.16425795,
"energy_per_atom": -8.726784943055556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.94425795,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.8915981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.452000Z",
"spacegroup": 7
},
{
"id": "mp-1302890",
"created_at": "2022-09-04T14:42:57.669285Z",
"structure_string": "Sr2 Mn14 O24\n1.0\n-3.749479 -3.812760 3.770812\n-3.749387 3.812675 -3.770807\n-0.000081 -7.551581 -7.467030\nSr Mn O\n2 14 24\ndirect\n0.000124 0.999953 0.999966 Sr\n0.499827 0.499958 0.499996 Sr\n0.749627 0.749637 0.250194 Mn\n0.250418 0.250263 0.749795 Mn\n0.499987 0.999889 0.999996 Mn\n0.999998 0.500042 0.500005 Mn\n0.000072 0.499967 0.999992 Mn\n0.499927 0.999984 0.500017 Mn\n0.250265 0.250372 0.250194 Mn\n0.749588 0.749639 0.749807 Mn\n0.750279 0.249626 0.250041 Mn\n0.249717 0.750311 0.750059 Mn\n0.000230 0.000154 0.499975 Mn\n0.250028 0.749758 0.249894 Mn\n0.749862 0.250171 0.750092 Mn\n0.500131 0.500006 0.999965 Mn\n0.839820 0.520207 0.347146 O\n0.339902 0.020290 0.847229 O\n0.660033 0.979542 0.152917 O\n0.160010 0.479776 0.652969 O\n0.479823 0.160112 0.347098 O\n0.979557 0.659932 0.847091 O\n0.020329 0.339892 0.152793 O\n0.520236 0.839829 0.652847 O\n0.777265 0.601160 0.091483 O\n0.278068 0.099781 0.589214 O\n0.722104 0.900390 0.410789 O\n0.223040 0.398946 0.908596 O\n0.099626 0.278121 0.410709 O\n0.601192 0.777156 0.908618 O\n0.398870 0.222820 0.091417 O\n0.900333 0.722089 0.589165 O\n0.253657 0.746300 0.433851 O\n0.752871 0.247147 0.934718 O\n0.246983 0.753022 0.065322 O\n0.746250 0.253887 0.566155 O\n0.433903 0.566092 0.254387 O\n0.933399 0.066493 0.753327 O\n0.066507 0.933412 0.246691 O\n0.566140 0.433875 0.745482 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.1654863285612835,
"density_atomic": 0.09367137590648772,
"volume": 427.02479399824404,
"volume_molar": 6.429008543668573,
"formula_full": "Sr2 Mn14 O24",
"formula_reduced": "SrMn7O12",
"formula_anonymous": "AB7C12",
"energy": -335.69356119,
"energy_per_atom": -8.392339029750001,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -295.85356119,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.314000Z",
"spacegroup": 12
},
{
"id": "mp-1105343",
"created_at": "2022-09-04T14:46:14.932969Z",
"structure_string": "Sr1 Mn7 O12\n1.0\n-3.771323 3.771323 3.771323\n3.771323 -3.771323 3.771323\n3.771323 3.771323 -3.771323\nSr Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.179997 0.869170 0.689173 O\n0.820003 0.130830 0.310827 O\n0.820003 0.509176 0.689173 O\n0.179997 0.490824 0.310827 O\n0.869170 0.689173 0.179997 O\n0.130830 0.310827 0.820003 O\n0.509176 0.689173 0.820003 O\n0.490824 0.310827 0.179997 O\n0.689173 0.179997 0.869170 O\n0.310827 0.820003 0.130830 O\n0.689173 0.820003 0.509176 O\n0.310827 0.179997 0.490824 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.140355226079401,
"density_atomic": 0.09321564632019327,
"volume": 214.55625519454674,
"volume_molar": 6.460439848600209,
"formula_full": "Sr1 Mn7 O12",
"formula_reduced": "SrMn7O12",
"formula_anonymous": "AB7C12",
"energy": -167.87307999,
"energy_per_atom": -8.3936539995,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -147.95307999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.9989245,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.978000Z",
"spacegroup": 204
},
{
"id": "mp-1105126",
"created_at": "2022-09-04T14:40:06.678217Z",
"structure_string": "Sr1 Mn7 O12\n1.0\n0.002314 0.000809 -6.492555\n-0.000605 -6.167129 2.164949\n-5.343871 3.083305 2.165700\nSr Mn O\n1 7 12\ndirect\n0.000034 0.000033 0.000010 Sr\n0.499888 0.999855 0.499890 Mn\n0.999719 0.499898 0.500026 Mn\n0.499909 0.499913 0.999928 Mn\n0.000111 0.999877 0.500012 Mn\n0.500078 0.500096 0.499992 Mn\n0.000030 0.500060 0.000107 Mn\n0.499977 0.000030 0.999897 Mn\n0.131223 0.826270 0.322106 O\n0.809542 0.678254 0.504103 O\n0.305143 0.495846 0.173763 O\n0.868883 0.173866 0.677904 O\n0.190417 0.321565 0.495929 O\n0.694907 0.504254 0.826241 O\n0.513744 0.830592 0.696467 O\n0.817322 0.303652 0.134262 O\n0.683876 0.866027 0.169922 O\n0.486372 0.169505 0.303577 O\n0.182637 0.696235 0.865701 O\n0.316187 0.134173 0.830163 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.155468998951534,
"density_atomic": 0.09348972078482655,
"volume": 213.9272620786992,
"volume_molar": 6.441500423196684,
"formula_full": "Sr1 Mn7 O12",
"formula_reduced": "SrMn7O12",
"formula_anonymous": "AB7C12",
"energy": -167.8416631,
"energy_per_atom": -8.392083155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.9216631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.0012384,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.923000Z",
"spacegroup": 148
},
{
"id": "mp-4343",
"created_at": "2022-09-04T14:40:06.541120Z",
"structure_string": "Sr1 Mn2 As2\n1.0\n2.038155 -3.530188 0.000000\n2.038155 3.530188 0.000000\n0.000000 0.000000 7.351467\nSr Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.387683 Mn\n0.333333 0.666667 0.612317 Mn\n0.666667 0.333333 0.717957 As\n0.333333 0.666667 0.282043 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"As"
],
"chemical_system": "As-Mn-Sr",
"density": 5.452101833714549,
"density_atomic": 0.04726405223525047,
"volume": 105.7886440864861,
"volume_molar": 12.741482109967217,
"formula_full": "Sr1 Mn2 As2",
"formula_reduced": "Sr(MnAs)2",
"formula_anonymous": "AB2C2",
"energy": -31.572672600000004,
"energy_per_atom": -6.3145345200000005,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.572672600000004,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.8865028,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.206000Z",
"spacegroup": 164
},
{
"id": "mp-29207",
"created_at": "2022-09-04T14:43:04.300773Z",
"structure_string": "Sr2 Mn2 Bi4\n1.0\n4.607162 0.002408 0.000218\n0.002408 4.607180 0.000209\n2.305337 2.305325 11.441269\nSr Mn Bi\n2 2 4\ndirect\n0.882406 0.882418 0.235240 Sr\n0.117571 0.117582 0.764763 Sr\n0.749739 0.250202 0.500044 Mn\n0.250324 0.749800 0.499946 Mn\n0.999987 0.500000 0.000004 Bi\n0.499988 0.000001 0.999999 Bi\n0.677622 0.677626 0.644893 Bi\n0.322363 0.322371 0.355109 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
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}