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{
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"results": [
{
"id": "mp-557296",
"created_at": "2022-09-04T14:47:42.716492Z",
"structure_string": "Sr2 Mn1 Sb1 O6\n1.0\n-2.798368 2.798368 4.157746\n2.798368 -2.798368 4.157746\n2.798368 2.798368 -4.157746\nSr Mn Sb O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Sb\n0.737297 0.737297 0.000000 O\n0.246481 0.246481 0.492961 O\n0.246481 0.753519 0.000000 O\n0.753519 0.753519 0.507039 O\n0.262703 0.262703 0.000000 O\n0.753519 0.246481 0.000000 O\n",
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"elements": [
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"O"
],
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"density": 5.711312974900795,
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"volume": 130.23496496638916,
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"formula_full": "Sr2 Mn1 Sb1 O6",
"formula_reduced": "Sr2MnSbO6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:19.878000Z",
"spacegroup": 139
},
{
"id": "mp-548149",
"created_at": "2022-09-04T14:40:13.273331Z",
"structure_string": "Sr2 Mn1 Sb1 O6\n1.0\n5.615370 0.000000 0.000000\n-2.807685 2.807685 4.078942\n0.000000 -5.615370 0.000000\nSr Mn Sb O\n2 1 1 6\ndirect\n0.496140 0.992280 0.996140 Sr\n0.996140 0.992280 0.496140 Sr\n0.242583 0.485166 0.242583 Mn\n0.741808 0.483615 0.741808 Sb\n0.496956 0.993911 0.496956 O\n0.992634 0.478647 0.486013 O\n0.992634 0.478647 0.992634 O\n0.486013 0.478647 0.992634 O\n0.985123 0.970247 0.985123 O\n0.486013 0.478647 0.486013 O\n",
"nsites": 10,
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"elements": [
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"O"
],
"chemical_system": "Mn-O-Sb-Sr",
"density": 5.7830809627072615,
"density_atomic": 0.07774916170140644,
"volume": 128.61875010826137,
"volume_molar": 7.745602175272151,
"formula_full": "Sr2 Mn1 Sb1 O6",
"formula_reduced": "Sr2MnSbO6",
"formula_anonymous": "ABC2D6",
"energy": -71.98053491,
"energy_per_atom": -7.1980534910000005,
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"band_gap": 0.2086000000000005,
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"updated_at": "2021-11-28T01:34:48.413000Z",
"spacegroup": 225
},
{
"id": "mp-19246",
"created_at": "2022-09-04T14:42:17.685138Z",
"structure_string": "Sr2 Mn3 Sb2 O2\n1.0\n4.254628 0.000000 -0.881830\n-0.182771 4.250700 -0.881830\n0.005678 0.005928 10.732112\nSr Mn Sb O\n2 3 2 2\ndirect\n0.421609 0.421609 0.843218 Sr\n0.578392 0.578392 0.156783 Sr\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250001 0.500000 Mn\n0.250001 0.750000 0.500000 Mn\n0.839116 0.839116 0.678232 Sb\n0.160883 0.160883 0.321767 Sb\n0.999999 0.499999 0.000000 O\n0.500001 0.000000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb-Sr",
"density": 5.265284636075353,
"density_atomic": 0.046359180342751695,
"volume": 194.13630554853327,
"volume_molar": 12.990179540440403,
"formula_full": "Sr2 Mn3 Sb2 O2",
"formula_reduced": "Sr2Mn3(SbO)2",
"formula_anonymous": "A2B2C2D3",
"energy": -61.05289918,
"energy_per_atom": -6.783655464444444,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -54.29089918,
"band_gap": 0.0,
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"total_magnetization": 14.8056641,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.150000Z",
"spacegroup": 139
},
{
"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,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:40.036000Z",
"spacegroup": 129
},
{
"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,
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"energy_uncorrected": -731.27892257,
"band_gap": 4.639,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.919000Z",
"spacegroup": 147
},
{
"id": "mp-1046617",
"created_at": "2022-09-04T14:39:24.180655Z",
"structure_string": "Sr4 Mn2 S2 O6\n1.0\n4.003965 0.000000 0.000000\n0.000000 4.003965 0.000000\n0.000000 0.000000 14.596091\nSr Mn S O\n4 2 2 6\ndirect\n0.500000 0.000000 0.164453 Sr\n0.000000 0.500000 0.835547 Sr\n0.500000 0.000000 0.408591 Sr\n0.000000 0.500000 0.591409 Sr\n0.000000 0.500000 0.292146 Mn\n0.500000 0.000000 0.707854 Mn\n0.000000 0.500000 0.117298 S\n0.500000 0.000000 0.882702 S\n0.500000 0.500000 0.287486 O\n0.000000 0.000000 0.287486 O\n0.000000 0.000000 0.712514 O\n0.500000 0.500000 0.712514 O\n0.000000 0.500000 0.424324 O\n0.500000 0.000000 0.575676 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mn",
"S",
"O"
],
"chemical_system": "Mn-O-S-Sr",
"density": 4.40313012559145,
"density_atomic": 0.059828887635653194,
"volume": 234.00067347495073,
"volume_molar": 10.065607097149655,
"formula_full": "Sr4 Mn2 S2 O6",
"formula_reduced": "Sr2MnSO3",
"formula_anonymous": "ABC2D3",
"energy": -96.50175409,
"energy_per_atom": -6.892982435,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:36.472000Z",
"spacegroup": 129
},
{
"id": "mp-1218911",
"created_at": "2022-09-04T14:43:11.938951Z",
"structure_string": "Sr10 Mn1 Ru4 O20\n1.0\n3.919191 0.000000 0.000000\n0.000000 3.919191 0.000000\n1.959595 1.959595 31.992632\nSr Mn Ru O\n10 1 4 20\ndirect\n0.472568 0.472568 0.054864 Sr\n0.870779 0.870779 0.258442 Sr\n0.270578 0.270578 0.458845 Sr\n0.670518 0.670518 0.658964 Sr\n0.069330 0.069330 0.861340 Sr\n0.930670 0.930670 0.138660 Sr\n0.329482 0.329482 0.341036 Sr\n0.729422 0.729422 0.541155 Sr\n0.129221 0.129221 0.741558 Sr\n0.527432 0.527432 0.945136 Sr\n0.000000 0.000000 0.000000 Mn\n0.400202 0.400202 0.199596 Ru\n0.800011 0.800011 0.399978 Ru\n0.199989 0.199989 0.600022 Ru\n0.599798 0.599798 0.800404 Ru\n0.432205 0.432205 0.135590 O\n0.832577 0.832577 0.334846 O\n0.232599 0.232599 0.534802 O\n0.632550 0.632550 0.734899 O\n0.031523 0.031523 0.936953 O\n0.968477 0.968477 0.063047 O\n0.367450 0.367450 0.265101 O\n0.767401 0.767401 0.465198 O\n0.167423 0.167423 0.665154 O\n0.567795 0.567795 0.864410 O\n0.500000 0.000000 0.000000 O\n0.899865 0.399865 0.200269 O\n0.299983 0.799983 0.400034 O\n0.700017 0.200017 0.599966 O\n0.100135 0.600135 0.799731 O\n0.000000 0.500000 0.000000 O\n0.399865 0.899865 0.200269 O\n0.799983 0.299983 0.400034 O\n0.200017 0.700017 0.599966 O\n0.600135 0.100135 0.799731 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
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"Mn",
"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.5938498575156155,
"density_atomic": 0.07122381225427546,
"volume": 491.4086861153519,
"volume_molar": 8.455235081352305,
"formula_full": "Sr10 Mn1 Ru4 O20",
"formula_reduced": "Sr10Mn(RuO5)4",
"formula_anonymous": "AB4C10D20",
"energy": -250.21617462,
"energy_per_atom": -7.149033560571429,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:01.985000Z",
"spacegroup": 139
},
{
"id": "mp-1218426",
"created_at": "2022-09-04T14:41:25.274141Z",
"structure_string": "Sr3 Mn1 Ru1 O7\n1.0\n-1.975928 1.975928 10.232647\n1.975928 -1.975928 10.232647\n1.975928 1.975928 -10.232647\nSr Mn Ru O\n3 1 1 7\ndirect\n0.686152 0.686152 0.000000 Sr\n0.318972 0.318972 0.000000 Sr\n0.493184 0.493184 0.000000 Sr\n0.899963 0.899963 0.000000 Mn\n0.096849 0.096849 0.000000 Ru\n0.805988 0.805988 0.000000 O\n0.195381 0.195381 0.000000 O\n0.904203 0.404203 0.500000 O\n0.404203 0.904203 0.500000 O\n0.097636 0.597636 0.500000 O\n0.597636 0.097636 0.500000 O\n0.999832 0.999832 0.000000 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.516225748841748,
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"volume": 159.80494522964028,
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"formula_full": "Sr3 Mn1 Ru1 O7",
"formula_reduced": "Sr3MnRuO7",
"formula_anonymous": "ABC3D7",
"energy": -88.08226963,
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"updated_at": "2021-11-28T01:35:18.681000Z",
"spacegroup": 107
},
{
"id": "mp-1218407",
"created_at": "2022-09-04T14:47:59.169158Z",
"structure_string": "Sr4 Mn1 Ru1 O8\n1.0\n3.926943 0.000000 0.000000\n0.000000 3.926943 0.000000\n0.000000 0.000000 12.680844\nSr Mn Ru O\n4 1 1 8\ndirect\n0.500000 0.500000 0.137708 Sr\n0.000000 0.000000 0.652078 Sr\n0.000000 0.000000 0.347922 Sr\n0.500000 0.500000 0.862292 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.338886 O\n0.000000 0.000000 0.841903 O\n0.000000 0.000000 0.158097 O\n0.500000 0.500000 0.661114 O\n",
"nsites": 14,
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"elements": [
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"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.387805392783498,
"density_atomic": 0.07159301970796535,
"volume": 195.54979042799584,
"volume_molar": 8.411631168184941,
"formula_full": "Sr4 Mn1 Ru1 O8",
"formula_reduced": "Sr4MnRuO8",
"formula_anonymous": "ABC4D8",
"energy": -101.12684975,
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"updated_at": "2021-11-28T01:38:26.351000Z",
"spacegroup": 123
},
{
"id": "mp-1218516",
"created_at": "2022-09-04T14:40:15.880541Z",
"structure_string": "Sr4 Mn1 Ru1 O8\n1.0\n2.828373 -6.244336 0.000000\n2.828373 6.244336 0.000000\n0.000000 0.000000 5.656334\nSr Mn Ru O\n4 1 1 8\ndirect\n0.642358 0.357642 0.000000 Sr\n0.144476 0.855524 0.500000 Sr\n0.855524 0.144476 0.500000 Sr\n0.357642 0.642358 0.000000 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ru\n0.754804 0.754804 0.754794 O\n0.245196 0.245196 0.245206 O\n0.245196 0.245196 0.754794 O\n0.754804 0.754804 0.245206 O\n0.838286 0.161714 0.000000 O\n0.342591 0.657409 0.500000 O\n0.657409 0.342591 0.500000 O\n0.161714 0.838286 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.273285281907814,
"density_atomic": 0.07007127941536628,
"volume": 199.796551694329,
"volume_molar": 8.594306840470468,
"formula_full": "Sr4 Mn1 Ru1 O8",
"formula_reduced": "Sr4MnRuO8",
"formula_anonymous": "ABC4D8",
"energy": -101.3476013,
"energy_per_atom": -7.239114378571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.1836013,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9862755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.206000Z",
"spacegroup": 65
},
{
"id": "mp-1218769",
"created_at": "2022-09-04T14:45:42.817438Z",
"structure_string": "Sr2 Mn1 Ru1 O6\n1.0\n-2.743873 2.743873 4.196497\n2.743873 -2.743873 4.196497\n2.743873 2.743873 -4.196497\nSr Mn Ru O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Ru\n0.798813 0.705703 0.504517 O\n0.201187 0.294297 0.495483 O\n0.294297 0.798813 0.093110 O\n0.705703 0.201187 0.906890 O\n0.734037 0.734037 0.000000 O\n0.265963 0.265963 0.000000 O\n",
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"nelements": 4,
"elements": [
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"Mn",
"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.613718117007486,
"density_atomic": 0.07912706904653627,
"volume": 126.37900178153689,
"volume_molar": 7.61072137836706,
"formula_full": "Sr2 Mn1 Ru1 O6",
"formula_reduced": "Sr2MnRuO6",
"formula_anonymous": "ABC2D6",
"energy": -75.09971226,
"energy_per_atom": -7.509971226,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -69.30971226,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.9597033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.969000Z",
"spacegroup": 87
},
{
"id": "mp-1205767",
"created_at": "2022-09-04T14:39:34.010420Z",
"structure_string": "Sr2 Mn1 Re1 O6\n1.0\n-4.057487 -4.057487 0.000000\n-4.057487 0.000000 -4.057487\n0.000000 -4.057487 -4.057487\nSr Mn Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n0.762149 0.762149 0.237851 O\n0.237851 0.237851 0.762149 O\n0.762149 0.237851 0.762149 O\n0.237851 0.762149 0.237851 O\n0.237851 0.762149 0.762149 O\n0.762149 0.237851 0.237851 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Mn",
"Re",
"O"
],
"chemical_system": "Mn-O-Re-Sr",
"density": 6.368557654347861,
"density_atomic": 0.07485117000267642,
"volume": 133.5984460849768,
"volume_molar": 8.045486476410012,
"formula_full": "Sr2 Mn1 Re1 O6",
"formula_reduced": "Sr2MnReO6",
"formula_anonymous": "ABC2D6",
"energy": -80.98915272,
"energy_per_atom": -8.098915272000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.19915272,
"band_gap": 0.2928000000000006,
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"is_magnetic": true,
"total_magnetization": 3.9922806,
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"updated_at": "2021-11-28T01:34:39.706000Z",
"spacegroup": 225
}
]
}