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{
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"results": [
{
"id": "mp-1094286",
"created_at": "2022-09-04T14:40:56.364914Z",
"structure_string": "Sr3 Mg3\n1.0\n2.126466 -3.683148 0.000000\n2.126466 3.683148 0.000000\n0.000000 0.000000 15.813813\nSr Mg\n3 3\ndirect\n0.666667 0.333333 0.723069 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.276931 Sr\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.888442 Mg\n0.000000 0.000000 0.111558 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.2508846889671776,
"density_atomic": 0.02422183504341931,
"volume": 247.71038153156383,
"volume_molar": 24.862446421606364,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -9.06355751,
"energy_per_atom": -1.5105929183333335,
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"energy_uncorrected": -9.06355751,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:01.177000Z",
"spacegroup": 187
},
{
"id": "mp-1094306",
"created_at": "2022-09-04T14:45:20.429490Z",
"structure_string": "Sr3 Mg3\n1.0\n3.226013 5.644141 0.000000\n-3.226013 5.644141 0.000000\n0.000000 3.078534 6.196996\nSr Mg\n3 3\ndirect\n0.360614 0.639386 0.000000 Sr\n0.829714 0.849294 0.489257 Sr\n0.150706 0.170286 0.510743 Sr\n0.997924 0.339925 0.004649 Mg\n0.660075 0.002076 0.995351 Mg\n0.500966 0.499034 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.4707128614699063,
"density_atomic": 0.026587412346582115,
"volume": 225.6707016759123,
"volume_molar": 22.650345515005196,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -9.43086532,
"energy_per_atom": -1.5718108866666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -9.43086532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.010000Z",
"spacegroup": 5
},
{
"id": "mp-1094299",
"created_at": "2022-09-04T14:48:12.026403Z",
"structure_string": "Sr3 Mg3\n1.0\n3.524513 -5.413170 0.000000\n3.524513 5.413170 0.000000\n0.000000 0.000000 5.872271\nSr Mg\n3 3\ndirect\n0.611149 0.611149 0.000000 Sr\n0.694817 0.062507 0.500000 Sr\n0.062507 0.694817 0.500000 Sr\n0.310072 0.010086 0.000000 Mg\n0.010086 0.310072 0.000000 Mg\n0.311368 0.311368 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.4883449616374973,
"density_atomic": 0.026777151884916438,
"volume": 224.07162740036586,
"volume_molar": 22.489848008787934,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -9.73656778,
"energy_per_atom": -1.6227612966666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -9.73656778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.714000Z",
"spacegroup": 38
},
{
"id": "mp-1246465",
"created_at": "2022-09-04T14:41:26.671508Z",
"structure_string": "Sr3 Mn12 N12\n1.0\n5.262801 5.262801 0.000000\n5.262801 0.000000 -5.262801\n0.000000 5.262801 -5.262801\nSr Mn N\n3 12 12\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.102401 0.651460 0.348540 Mn\n0.348540 0.897599 0.102401 Mn\n0.897599 0.348540 0.651460 Mn\n0.651460 0.102401 0.897599 Mn\n0.102401 0.897599 0.651460 Mn\n0.348540 0.651460 0.897599 Mn\n0.897599 0.102401 0.348540 Mn\n0.651460 0.348540 0.102401 Mn\n0.102401 0.348540 0.897599 Mn\n0.348540 0.102401 0.651460 Mn\n0.897599 0.651460 0.102401 Mn\n0.651460 0.897599 0.348540 Mn\n0.395354 0.604646 0.145113 N\n0.145113 0.854887 0.395354 N\n0.854887 0.145113 0.604646 N\n0.604646 0.395354 0.854887 N\n0.395354 0.854887 0.604646 N\n0.145113 0.604646 0.854887 N\n0.854887 0.395354 0.145113 N\n0.604646 0.145113 0.395354 N\n0.395354 0.145113 0.854887 N\n0.145113 0.395354 0.604646 N\n0.854887 0.604646 0.395354 N\n0.604646 0.854887 0.145113 N\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 6.209737113268717,
"density_atomic": 0.09261533946094495,
"volume": 291.52838133671855,
"volume_molar": 6.502314622017319,
"formula_full": "Sr3 Mn12 N12",
"formula_reduced": "Sr(MnN)4",
"formula_anonymous": "AB4C4",
"energy": -228.18755818,
"energy_per_atom": -8.451391043703703,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -223.85555818,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.7114794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.070000Z",
"spacegroup": 202
},
{
"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,
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"is_magnetic": true,
"total_magnetization": 75.4326879,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.919000Z",
"spacegroup": 147
},
{
"id": "mp-1208713",
"created_at": "2022-09-04T14:42:04.855004Z",
"structure_string": "Sr3 Mn1 F12\n1.0\n-1.652324 -2.861908 -6.413288\n-3.561078 -6.167968 -3.905654\n-5.133598 7.075863 1.952827\nSr Mn F\n3 1 12\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mn\n0.990508 0.537933 0.813235 F\n0.009492 0.462067 0.186765 F\n0.660983 0.993926 0.491174 F\n0.009492 0.275302 0.813235 F\n0.339017 0.006074 0.508826 F\n0.990508 0.724698 0.186765 F\n0.272829 0.811298 0.840921 F\n0.339017 0.497248 0.491174 F\n0.727171 0.188702 0.159079 F\n0.660983 0.502752 0.508826 F\n0.727171 0.029623 0.840921 F\n0.272829 0.970377 0.159079 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"F"
],
"chemical_system": "F-Mn-Sr",
"density": 3.464072246448112,
"density_atomic": 0.06115628526533527,
"volume": 261.624785262573,
"volume_molar": 9.847133019724927,
"formula_full": "Sr3 Mn1 F12",
"formula_reduced": "Sr3MnF12",
"formula_anonymous": "AB3C12",
"energy": -84.7443289,
"energy_per_atom": -5.29652055625,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:42.986000Z",
"spacegroup": 12
},
{
"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,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.516225748841748,
"density_atomic": 0.07509154352361222,
"volume": 159.80494522964028,
"volume_molar": 8.019732285974868,
"formula_full": "Sr3 Mn1 Ru1 O7",
"formula_reduced": "Sr3MnRuO7",
"formula_anonymous": "ABC3D7",
"energy": -88.08226963,
"energy_per_atom": -7.3401891358333335,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.8350624,
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"updated_at": "2021-11-28T01:35:18.681000Z",
"spacegroup": 107
},
{
"id": "mp-1275541",
"created_at": "2022-09-04T14:44:57.305781Z",
"structure_string": "Sr3 Mn2 Cu2 S2 O5\n1.0\n3.920590 0.000118 0.000363\n0.000118 3.920477 0.000356\n1.961587 1.961527 13.760623\nSr Mn Cu S O\n3 2 2 2 5\ndirect\n0.499858 0.499854 0.000273 Sr\n0.359586 0.359591 0.280739 Sr\n0.640450 0.640457 0.719138 Sr\n0.073360 0.073364 0.853481 Mn\n0.926618 0.926626 0.146563 Mn\n0.749945 0.250019 0.499968 Cu\n0.249975 0.749850 0.500034 Cu\n0.800901 0.800894 0.398557 S\n0.199213 0.199206 0.601387 S\n0.999906 0.999940 0.000111 O\n0.916199 0.416117 0.167550 O\n0.416108 0.916219 0.167559 O\n0.083923 0.583951 0.832326 O\n0.583960 0.083911 0.832314 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
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"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.055773354213993,
"density_atomic": 0.06619283080805832,
"volume": 211.50326748520988,
"volume_molar": 9.097874628541895,
"formula_full": "Sr3 Mn2 Cu2 S2 O5",
"formula_reduced": "Sr3Mn2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy": -93.70500377,
"energy_per_atom": -6.693214555,
"energy_above_hull": null,
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"energy_uncorrected": -85.92800377,
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"updated_at": "2021-11-28T01:36:46.877000Z",
"spacegroup": 139
},
{
"id": "mp-19070",
"created_at": "2022-09-04T14:45:25.683844Z",
"structure_string": "Sr3 Mn2 O7\n1.0\n3.814913 0.000000 -0.707989\n-0.131392 3.812649 -0.707989\n-0.023800 -0.024634 10.503849\nSr Mn O\n3 2 7\ndirect\n0.499999 0.500000 0.000000 Sr\n0.317031 0.317033 0.634064 Sr\n0.682969 0.682967 0.365935 Sr\n0.097309 0.097309 0.194617 Mn\n0.902691 0.902691 0.805383 Mn\n0.904230 0.404231 0.808462 O\n0.404231 0.904231 0.808462 O\n0.095770 0.595769 0.191538 O\n0.595769 0.095769 0.191538 O\n0.807380 0.807382 0.614762 O\n0.000000 0.000000 0.000000 O\n0.192618 0.192618 0.385238 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.273138674843915,
"density_atomic": 0.07861397365347837,
"volume": 152.64461828242727,
"volume_molar": 7.660394812943721,
"formula_full": "Sr3 Mn2 O7",
"formula_reduced": "Sr3Mn2O7",
"formula_anonymous": "A2B3C7",
"energy": -89.19893565999999,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:57.646000Z",
"spacegroup": 139
},
{
"id": "mp-705675",
"created_at": "2022-09-04T14:48:21.840658Z",
"structure_string": "Sr3 Mn4 O12\n1.0\n5.515156 0.000000 0.000000\n-2.757578 4.776266 0.000000\n0.000000 0.000000 9.317074\nSr Mn O\n3 4 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.242895 Sr\n0.666667 0.333333 0.757105 Sr\n0.333333 0.666667 0.887233 Mn\n0.333333 0.666667 0.611705 Mn\n0.666667 0.333333 0.388295 Mn\n0.666667 0.333333 0.112767 Mn\n0.000000 0.500000 0.500000 O\n0.183578 0.816422 0.748184 O\n0.500000 0.000000 0.500000 O\n0.183578 0.367155 0.748184 O\n0.632845 0.816422 0.748184 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.367155 0.183578 0.251816 O\n0.500000 0.000000 0.000000 O\n0.816422 0.632845 0.251816 O\n0.816422 0.183578 0.251816 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 4.564285359030228,
"density_atomic": 0.07741546901971197,
"volume": 245.42898519625467,
"volume_molar": 7.778988923346326,
"formula_full": "Sr3 Mn4 O12",
"formula_reduced": "Sr3Mn4O12",
"formula_anonymous": "A3B4C12",
"energy": -142.16410702000002,
"energy_per_atom": -7.482321422105264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.24810702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9948988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.439000Z",
"spacegroup": 164
},
{
"id": "mp-1246080",
"created_at": "2022-09-04T14:45:57.899550Z",
"structure_string": "Sr3 Mn6 N6\n1.0\n5.776761 -0.657471 -0.128636\n7.658114 4.843777 0.000000\n-0.108778 0.171980 5.885616\nSr Mn N\n3 6 6\ndirect\n0.000000 0.304289 0.500000 Sr\n0.000000 0.695711 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.678451 0.015031 0.906293 Mn\n0.678451 0.306518 0.906293 Mn\n0.321549 0.984969 0.093707 Mn\n0.321549 0.693482 0.093707 Mn\n0.230915 0.884543 0.701247 Mn\n0.769085 0.115457 0.298753 Mn\n0.501733 0.922879 0.795643 N\n0.501733 0.575388 0.795643 N\n0.498267 0.077121 0.204357 N\n0.498267 0.424612 0.204357 N\n0.663136 0.168432 0.661644 N\n0.336864 0.831568 0.338356 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 5.788218238576261,
"density_atomic": 0.07728602684160099,
"volume": 194.08424281846902,
"volume_molar": 7.7920175303389305,
"formula_full": "Sr3 Mn6 N6",
"formula_reduced": "Sr(MnN)2",
"formula_anonymous": "AB2C2",
"energy": -117.4666928,
"energy_per_atom": -7.831112853333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.3006928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2166987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.434000Z",
"spacegroup": 12
},
{
"id": "mp-1187122",
"created_at": "2022-09-04T14:40:04.698634Z",
"structure_string": "Sr3 Mo1\n1.0\n0.000000 4.238977 4.238977\n4.238977 0.000000 4.238977\n4.238977 4.238977 0.000000\nSr Mo\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mo"
],
"chemical_system": "Mo-Sr",
"density": 3.911004860498952,
"density_atomic": 0.026257103446051436,
"volume": 152.3397281127566,
"volume_molar": 22.935282150878734,
"formula_full": "Sr3 Mo1",
"formula_reduced": "Sr3Mo",
"formula_anonymous": "AB3",
"energy": -12.55526034,
"energy_per_atom": -3.138815085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.55526034,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1426828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.194000Z",
"spacegroup": 225
}
]
}