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{
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"results": [
{
"id": "mp-752805",
"created_at": "2022-09-04T14:48:05.129476Z",
"structure_string": "Li6 Mn3 V1 P6 O24\n1.0\n8.732490 -0.318212 -0.321314\n4.363781 7.334925 -0.259012\n4.288655 2.350123 6.928482\nLi Mn V P O\n6 3 1 6 24\ndirect\n0.024612 0.016749 0.981723 Li\n0.748638 0.162202 0.344315 Li\n0.478410 0.507073 0.493796 Li\n0.262721 0.834736 0.655286 Li\n0.644523 0.278727 0.843169 Li\n0.858851 0.657969 0.261719 Li\n0.141217 0.141268 0.144659 Mn\n0.356309 0.356449 0.359364 Mn\n0.648678 0.652675 0.643439 Mn\n0.855417 0.853778 0.854982 V\n0.055952 0.750091 0.441783 P\n0.448195 0.050240 0.751999 P\n0.749107 0.454783 0.043394 P\n0.247623 0.533305 0.962598 P\n0.546879 0.961680 0.254712 P\n0.950012 0.248458 0.540567 P\n0.123929 0.278804 0.496665 O\n0.312023 0.498199 0.120018 O\n0.068145 0.919255 0.253189 O\n0.539871 0.121838 0.298614 O\n0.241047 0.585694 0.432688 O\n0.017653 0.807337 0.607579 O\n0.261377 0.073144 0.905629 O\n0.447674 0.235395 0.578558 O\n0.601735 0.443364 0.237326 O\n0.176292 0.379390 0.009022 O\n0.094379 0.733195 0.935992 O\n0.376159 0.004746 0.216188 O\n0.607871 0.012857 0.810200 O\n0.897177 0.256724 0.061091 O\n0.819796 0.611363 0.994190 O\n0.403707 0.544277 0.770291 O\n0.564862 0.767795 0.421141 O\n0.733555 0.923004 0.097080 O\n0.954171 0.196666 0.386503 O\n0.768304 0.423210 0.558908 O\n0.475799 0.885935 0.696762 O\n0.917582 0.095390 0.740738 O\n0.679678 0.491834 0.885039 O\n0.900073 0.699401 0.460079 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.948459014997467,
"density_atomic": 0.08585781155026395,
"volume": 465.88655449926887,
"volume_molar": 7.014086023465021,
"formula_full": "Li6 Mn3 V1 P6 O24",
"formula_reduced": "Li6Mn3V(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -301.52053779,
"energy_per_atom": -7.53801344475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -278.32853779,
"band_gap": 0.6196999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.758000Z",
"spacegroup": 1
},
{
"id": "mp-755597",
"created_at": "2022-09-04T14:48:05.149664Z",
"structure_string": "Ca4 Ce2 O8\n1.0\n3.533024 0.000000 0.000000\n0.000000 5.848510 0.000000\n0.000000 0.000000 10.027016\nCa Ce O\n4 2 8\ndirect\n0.500000 0.061417 0.678509 Ca\n0.500000 0.438583 0.178509 Ca\n0.500000 0.561417 0.821491 Ca\n0.500000 0.938583 0.321491 Ca\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.152502 0.201653 O\n0.500000 0.240320 0.959270 O\n0.500000 0.259680 0.459270 O\n0.000000 0.347498 0.701653 O\n0.000000 0.652502 0.298347 O\n0.500000 0.740320 0.540730 O\n0.500000 0.759680 0.040730 O\n0.000000 0.847498 0.798347 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"O"
],
"chemical_system": "Ca-Ce-O",
"density": 4.5566532294070745,
"density_atomic": 0.0675716467959875,
"volume": 207.18749155646358,
"volume_molar": 8.912230270459537,
"formula_full": "Ca4 Ce2 O8",
"formula_reduced": "Ca2CeO4",
"formula_anonymous": "AB2C4",
"energy": -109.1984091,
"energy_per_atom": -7.799886364285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -103.7024091,
"band_gap": 1.875,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.280000Z",
"spacegroup": 55
},
{
"id": "mp-18244",
"created_at": "2022-09-04T14:48:05.510727Z",
"structure_string": "K12 Mn2 S8\n1.0\n4.954982 -8.582281 0.000000\n4.954982 8.582281 0.000000\n0.000000 0.000000 7.755505\nK Mn S\n12 2 8\ndirect\n0.530184 0.060368 0.366577 K\n0.469816 0.530184 0.866577 K\n0.939632 0.469816 0.366577 K\n0.530184 0.469816 0.366577 K\n0.146572 0.853428 0.541726 K\n0.293144 0.146572 0.041726 K\n0.060368 0.530184 0.866577 K\n0.853428 0.706856 0.041726 K\n0.853428 0.146572 0.041726 K\n0.706856 0.853428 0.541726 K\n0.146572 0.293144 0.541726 K\n0.469816 0.939632 0.866577 K\n0.666667 0.333333 0.752595 Mn\n0.333333 0.666667 0.252595 Mn\n0.803011 0.196989 0.653599 S\n0.606023 0.803011 0.153599 S\n0.196989 0.393977 0.153599 S\n0.803011 0.606023 0.653599 S\n0.393977 0.196989 0.653599 S\n0.196989 0.803011 0.153599 S\n0.666667 0.333333 0.069396 S\n0.333333 0.666667 0.569396 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Mn",
"S"
],
"chemical_system": "K-Mn-S",
"density": 2.103536269912043,
"density_atomic": 0.033353221817903136,
"volume": 659.6064428231931,
"volume_molar": 18.055649294928006,
"formula_full": "K12 Mn2 S8",
"formula_reduced": "K6MnS4",
"formula_anonymous": "AB4C6",
"energy": -91.65506054,
"energy_per_atom": -4.166139115454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -87.63106054,
"band_gap": 1.2969,
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"is_magnetic": true,
"total_magnetization": 9.9989083,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.122000Z",
"spacegroup": 186
},
{
"id": "mp-1182752",
"created_at": "2022-09-04T14:48:05.081092Z",
"structure_string": "Ca4 P12 N4 O36\n1.0\n8.190178 0.000000 -0.212530\n0.000000 14.106227 0.000000\n-0.324353 0.000000 10.110590\nCa P N O\n4 12 4 36\ndirect\n0.269844 0.271199 0.998745 Ca\n0.769844 0.228801 0.498745 Ca\n0.730156 0.728801 0.001255 Ca\n0.230156 0.771199 0.501255 Ca\n0.414716 0.675620 0.235257 P\n0.914716 0.824380 0.735257 P\n0.585284 0.324380 0.764743 P\n0.085284 0.175620 0.264743 P\n0.068793 0.645511 0.231326 P\n0.568793 0.854489 0.731326 P\n0.931207 0.354489 0.768674 P\n0.431207 0.145511 0.268674 P\n0.292353 0.480487 0.230191 P\n0.792353 0.019513 0.730191 P\n0.707647 0.519513 0.769809 P\n0.207647 0.980487 0.269809 P\n0.289110 0.490824 0.489249 N\n0.789110 0.009176 0.989249 N\n0.710890 0.509176 0.510751 N\n0.210890 0.990824 0.010751 N\n0.427236 0.558211 0.212531 O\n0.927236 0.941789 0.712531 O\n0.572764 0.441789 0.787469 O\n0.072764 0.058211 0.287469 O\n0.230254 0.692842 0.170700 O\n0.730254 0.807158 0.670700 O\n0.769746 0.307158 0.829300 O\n0.269746 0.192842 0.329300 O\n0.120985 0.530612 0.222377 O\n0.620985 0.969388 0.722377 O\n0.879015 0.469388 0.777623 O\n0.379015 0.030612 0.277623 O\n0.532233 0.718815 0.147009 O\n0.032233 0.781185 0.647009 O\n0.467767 0.281185 0.852991 O\n0.967767 0.218815 0.352991 O\n0.422446 0.694515 0.380612 O\n0.922446 0.805485 0.880612 O\n0.577554 0.305485 0.619388 O\n0.077554 0.194515 0.119388 O\n0.928195 0.658508 0.133995 O\n0.428195 0.841492 0.633995 O\n0.071805 0.341492 0.866005 O\n0.571805 0.158508 0.366005 O\n0.059059 0.670971 0.373608 O\n0.559059 0.829029 0.873608 O\n0.940941 0.329029 0.626392 O\n0.440941 0.170971 0.126392 O\n0.320013 0.439572 0.382367 O\n0.820013 0.060428 0.882367 O\n0.679987 0.560428 0.617633 O\n0.179987 0.939572 0.117633 O\n0.307438 0.399031 0.140803 O\n0.807438 0.100969 0.640803 O\n0.692562 0.600969 0.859197 O\n0.192562 0.899031 0.359197 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ca",
"P",
"N",
"O"
],
"chemical_system": "Ca-N-O-P",
"density": 1.6560899876236395,
"density_atomic": 0.04798096808024929,
"volume": 1167.129431534993,
"volume_molar": 12.55110307471877,
"formula_full": "Ca4 P12 N4 O36",
"formula_reduced": "CaP3NO9",
"formula_anonymous": "ABC3D9",
"energy": -413.81680239,
"energy_per_atom": -7.389585756964286,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -389.08480239,
"band_gap": 2.0891,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.280000Z",
"spacegroup": 14
},
{
"id": "mp-977561",
"created_at": "2022-09-04T14:48:05.096249Z",
"structure_string": "Li1 Ta1 Ir2\n1.0\n0.000000 3.083409 3.083409\n3.083409 0.000000 3.083409\n3.083409 3.083409 0.000000\nLi Ta Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ta",
"Ir"
],
"chemical_system": "Ir-Li-Ta",
"density": 16.209394902064595,
"density_atomic": 0.0682239072940038,
"volume": 58.63047366610678,
"volume_molar": 8.827024131069207,
"formula_full": "Li1 Ta1 Ir2",
"formula_reduced": "LiTaIr2",
"formula_anonymous": "ABC2",
"energy": -33.88616052,
"energy_per_atom": -8.47154013,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -33.88616052,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 8.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.126000Z",
"spacegroup": 225
},
{
"id": "mp-1222038",
"created_at": "2022-09-04T14:48:05.105413Z",
"structure_string": "Mg1 Cu2 P2 O8\n1.0\n-4.900559 0.000000 0.000000\n1.935626 4.967650 0.000000\n-0.336239 -2.004393 -6.045760\nMg Cu P O\n1 2 2 8\ndirect\n0.719942 0.243613 0.688933 Mg\n0.001302 0.001239 0.003486 Cu\n0.279616 0.774421 0.313010 Cu\n0.359301 0.643999 0.775039 P\n0.639790 0.349896 0.221689 P\n0.387106 0.844946 0.634247 O\n0.614473 0.154929 0.366281 O\n0.666556 0.641115 0.825057 O\n0.333150 0.351703 0.170439 O\n0.234846 0.774575 0.000393 O\n0.764547 0.223410 0.999602 O\n0.152662 0.342362 0.661593 O\n0.846708 0.653793 0.340232 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Mg-O-P",
"density": 3.8511320982603015,
"density_atomic": 0.08832747947560911,
"volume": 147.17956492339218,
"volume_molar": 6.8179696689555875,
"formula_full": "Mg1 Cu2 P2 O8",
"formula_reduced": "MgCu2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -89.62009082,
"energy_per_atom": -6.89385314,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.070000Z",
"spacegroup": 1
},
{
"id": "mp-753940",
"created_at": "2022-09-04T14:48:05.406222Z",
"structure_string": "K1 Li1 Mn1 S2\n1.0\n-2.031336 2.031336 6.645543\n2.031336 -2.031336 6.645543\n2.031336 2.031336 -6.645543\nK Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Mn\n0.649377 0.649377 0.000000 S\n0.350623 0.350623 0.000000 S\n",
"nsites": 5,
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"elements": [
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"Mn",
"S"
],
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"density": 2.499548090785788,
"density_atomic": 0.04558437555974006,
"volume": 109.686705995288,
"volume_molar": 13.210975660087206,
"formula_full": "K1 Li1 Mn1 S2",
"formula_reduced": "KLiMnS2",
"formula_anonymous": "ABCD2",
"energy": -26.632077440000003,
"energy_per_atom": -5.326415488,
"energy_above_hull": null,
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"energy_uncorrected": -25.626077440000003,
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"updated_at": "2021-11-28T01:38:27.586000Z",
"spacegroup": 119
},
{
"id": "mp-768373",
"created_at": "2022-09-04T14:48:05.418356Z",
"structure_string": "Ba8 Y4 Br28\n1.0\n14.432055 0.000000 0.000000\n0.000000 7.595062 0.000000\n0.000000 1.579587 13.183789\nBa Y Br\n8 4 28\ndirect\n0.544348 0.769195 0.744002 Ba\n0.136301 0.735135 0.624741 Ba\n0.785505 0.747400 0.125055 Ba\n0.368987 0.701726 0.233184 Ba\n0.868987 0.298274 0.766816 Ba\n0.285505 0.252600 0.874945 Ba\n0.636301 0.264865 0.375259 Ba\n0.044348 0.230805 0.255998 Ba\n0.844950 0.813211 0.547135 Y\n0.076149 0.795321 0.044394 Y\n0.576149 0.204679 0.955606 Y\n0.344950 0.186789 0.452865 Y\n0.705991 0.962320 0.890155 Br\n0.437210 0.941139 0.983703 Br\n0.497191 0.958066 0.502345 Br\n0.151393 0.884067 0.855580 Br\n0.233178 0.910219 0.394266 Br\n0.771312 0.892708 0.355969 Br\n0.914824 0.791222 0.744299 Br\n0.010482 0.772235 0.244554 Br\n0.336110 0.616214 0.727306 Br\n0.587055 0.622770 0.224456 Br\n0.701515 0.570315 0.607304 Br\n0.705220 0.479467 0.902703 Br\n0.954614 0.518470 0.529596 Br\n0.450715 0.465208 0.988994 Br\n0.950715 0.534792 0.011006 Br\n0.454614 0.481530 0.470404 Br\n0.205220 0.520533 0.097297 Br\n0.201515 0.429685 0.392696 Br\n0.087055 0.377230 0.775544 Br\n0.836110 0.383786 0.272694 Br\n0.510482 0.227765 0.755446 Br\n0.414824 0.208778 0.255701 Br\n0.271312 0.107292 0.644031 Br\n0.733178 0.089781 0.605734 Br\n0.651393 0.115933 0.144420 Br\n0.997191 0.041934 0.497655 Br\n0.937210 0.058861 0.016297 Br\n0.205991 0.037680 0.109845 Br\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.241878987422116,
"density_atomic": 0.027679627982934357,
"volume": 1445.1061273172336,
"volume_molar": 21.756581279607158,
"formula_full": "Ba8 Y4 Br28",
"formula_reduced": "Ba2YBr7",
"formula_anonymous": "AB2C7",
"energy": -184.64239501000003,
"energy_per_atom": -4.61605987525,
"energy_above_hull": null,
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"energy_uncorrected": -169.69039501,
"band_gap": 3.6975,
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"total_magnetization": 8.53e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.396000Z",
"spacegroup": 4
},
{
"id": "mp-567744",
"created_at": "2022-09-04T14:48:05.441470Z",
"structure_string": "Sr4 Br8\n1.0\n4.801764 0.000000 0.000000\n0.000000 7.905894 0.000000\n0.000000 0.000000 11.526257\nSr Br\n4 8\ndirect\n0.250000 0.127151 0.831632 Sr\n0.750000 0.872849 0.168368 Sr\n0.250000 0.372849 0.331632 Sr\n0.750000 0.627151 0.668368 Sr\n0.750000 0.624296 0.391240 Br\n0.250000 0.375704 0.608760 Br\n0.250000 0.632498 0.130230 Br\n0.250000 0.124296 0.108760 Br\n0.250000 0.867502 0.630230 Br\n0.750000 0.367502 0.869770 Br\n0.750000 0.875704 0.891240 Br\n0.750000 0.132498 0.369770 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Br"
],
"chemical_system": "Br-Sr",
"density": 3.75593299772142,
"density_atomic": 0.027424653481283902,
"volume": 437.56250222776606,
"volume_molar": 21.95885816427851,
"formula_full": "Sr4 Br8",
"formula_reduced": "SrBr2",
"formula_anonymous": "AB2",
"energy": -49.91497028,
"energy_per_atom": -4.1595808566666665,
"energy_above_hull": null,
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"energy_uncorrected": -45.64297028,
"band_gap": 4.4697000000000005,
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"total_magnetization": 0.0007523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.176000Z",
"spacegroup": 62
},
{
"id": "mp-976765",
"created_at": "2022-09-04T14:48:05.453883Z",
"structure_string": "Na3 Au1\n1.0\n-2.552366 2.552367 3.835402\n2.552366 -2.552367 3.835402\n2.552367 2.552367 -3.835402\nNa Au\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
"chemical_system": "Au-Na",
"density": 4.418440286241687,
"density_atomic": 0.04002238384496937,
"volume": 99.94407168484499,
"volume_molar": 15.046931695341671,
"formula_full": "Na3 Au1",
"formula_reduced": "Na3Au",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:38:23.890000Z",
"spacegroup": 139
},
{
"id": "mp-1175836",
"created_at": "2022-09-04T14:48:05.512490Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.072186 0.000000 0.000000\n-1.710321 4.814029 0.000000\n-0.393787 -0.308518 11.612689\nLi Mn Co O\n9 2 5 16\ndirect\n0.998889 0.500064 0.884106 Li\n0.500000 0.500000 0.000000 Li\n0.001111 0.499936 0.115894 Li\n0.501950 0.501703 0.245769 Li\n0.004563 0.500603 0.376777 Li\n0.500000 0.500000 0.500000 Li\n0.995437 0.499397 0.623223 Li\n0.498050 0.498297 0.754231 Li\n0.000000 0.000000 0.000000 Li\n0.999786 0.002648 0.753100 Mn\n0.000214 0.997352 0.246900 Mn\n0.501904 0.002142 0.879018 Co\n0.498096 0.997858 0.120982 Co\n0.500282 0.001579 0.376163 Co\n0.000000 0.000000 0.500000 Co\n0.499718 0.998421 0.623837 Co\n0.250150 0.782053 0.754466 O\n0.756112 0.785793 0.861943 O\n0.269853 0.759179 0.009470 O\n0.749017 0.770222 0.133991 O\n0.238704 0.768232 0.260240 O\n0.773788 0.781071 0.374191 O\n0.269166 0.761980 0.504667 O\n0.770270 0.776999 0.621301 O\n0.730147 0.240821 0.990530 O\n0.243888 0.214207 0.138057 O\n0.749850 0.217947 0.245534 O\n0.229730 0.223001 0.378699 O\n0.730834 0.238020 0.495333 O\n0.226212 0.218929 0.625809 O\n0.761296 0.231768 0.739760 O\n0.250983 0.229778 0.866009 O\n",
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"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.234007337074059,
"density_atomic": 0.11285305230874126,
"volume": 283.55458133693185,
"volume_molar": 5.336267506105851,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
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"updated_at": "2021-11-28T01:38:23.347000Z",
"spacegroup": 2
},
{
"id": "mp-1044357",
"created_at": "2022-09-04T14:48:05.134958Z",
"structure_string": "Mg2 Ti2 Mn2 P6 O24\n1.0\n7.371195 -4.317812 0.000000\n7.371195 4.317812 0.000000\n4.841958 0.000000 7.038001\nMg Ti Mn P O\n2 2 2 6 24\ndirect\n0.002195 0.002195 0.002195 Mg\n0.502195 0.502195 0.502195 Mg\n0.856469 0.856469 0.856469 Ti\n0.356469 0.356469 0.356469 Ti\n0.643231 0.643231 0.643231 Mn\n0.143231 0.143231 0.143231 Mn\n0.248848 0.955319 0.543971 P\n0.955319 0.543971 0.248848 P\n0.543971 0.248848 0.955319 P\n0.455319 0.748848 0.043971 P\n0.043971 0.455319 0.748848 P\n0.748848 0.043971 0.455319 P\n0.684706 0.888805 0.491312 O\n0.491312 0.684706 0.888805 O\n0.087955 0.946736 0.741810 O\n0.888805 0.491312 0.684706 O\n0.184706 0.991312 0.388805 O\n0.407852 0.758959 0.560627 O\n0.946736 0.741810 0.087955 O\n0.758959 0.560627 0.407852 O\n0.619002 0.815327 0.996878 O\n0.560627 0.407852 0.758959 O\n0.258959 0.907852 0.060627 O\n0.996878 0.619002 0.815327 O\n0.991312 0.388805 0.184706 O\n0.741810 0.087955 0.946736 O\n0.446736 0.587955 0.241810 O\n0.388805 0.184706 0.991312 O\n0.241810 0.446736 0.587955 O\n0.060627 0.258959 0.907852 O\n0.587955 0.241810 0.446736 O\n0.815327 0.996878 0.619002 O\n0.119002 0.496878 0.315327 O\n0.907852 0.060627 0.258959 O\n0.496878 0.315327 0.119002 O\n0.315327 0.119002 0.496878 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
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"Ti",
"Mn",
"P",
"O"
],
"chemical_system": "Mg-Mn-O-P-Ti",
"density": 3.0543640262914864,
"density_atomic": 0.08035659976656931,
"volume": 448.0030278107543,
"volume_molar": 7.49427026217377,
"formula_full": "Mg2 Ti2 Mn2 P6 O24",
"formula_reduced": "MgTiMn(PO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -290.08715095,
"energy_per_atom": -8.057976415277778,
"energy_above_hull": null,
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"energy_uncorrected": -270.26315095,
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"updated_at": "2021-11-28T01:38:31.425000Z",
"spacegroup": 161
}
]
}