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"results": [
{
"id": "mp-1219621",
"created_at": "2022-09-04T14:47:56.669431Z",
"structure_string": "Rb1 Cu2 H3 S2 O10\n1.0\n3.262779 4.618194 0.000000\n-3.262779 4.618194 0.000000\n0.000000 3.786738 7.060076\nRb Cu H S O\n1 2 3 2 10\ndirect\n0.500835 0.500835 0.499507 Rb\n0.496591 0.995091 0.995465 Cu\n0.995091 0.496591 0.995465 Cu\n0.299046 0.299046 0.215133 H\n0.698898 0.698898 0.793552 H\n0.474455 0.474455 0.016820 H\n0.927825 0.927825 0.276803 S\n0.071873 0.071874 0.722161 S\n0.846059 0.225551 0.219567 O\n0.225551 0.846059 0.219567 O\n0.155058 0.775000 0.780436 O\n0.775000 0.155058 0.780436 O\n0.344988 0.344988 0.075848 O\n0.658851 0.658851 0.931923 O\n0.823445 0.823445 0.182908 O\n0.177275 0.177275 0.816118 O\n0.829452 0.829452 0.483957 O\n0.172008 0.172008 0.515335 O\n",
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"spacegroup": 8
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{
"id": "mp-1178150",
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"structure_string": "K1 Cu2 H2 S2 O10\n1.0\n3.165344 4.658644 0.000000\n-3.165344 4.658644 0.000000\n0.000000 3.984021 6.972527\nK Cu H S O\n1 2 2 2 10\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.695357 0.695357 0.811181 H\n0.304643 0.304643 0.188819 H\n0.924637 0.924637 0.282619 S\n0.075363 0.075363 0.717381 S\n0.824471 0.824471 0.186555 O\n0.164681 0.770580 0.774237 O\n0.229420 0.835319 0.225763 O\n0.669563 0.669563 0.946271 O\n0.820836 0.820836 0.491306 O\n0.179164 0.179164 0.508694 O\n0.330437 0.330437 0.053729 O\n0.770580 0.164681 0.774237 O\n0.835319 0.229420 0.225763 O\n0.175529 0.175529 0.813445 O\n",
"nsites": 17,
"nelements": 5,
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],
"chemical_system": "Cu-H-K-O-S",
"density": 3.1681094411570494,
"density_atomic": 0.0826700655742417,
"volume": 205.63670636904456,
"volume_molar": 7.284548183395145,
"formula_full": "K1 Cu2 H2 S2 O10",
"formula_reduced": "KCu2H2(SO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -100.61399435,
"energy_per_atom": -5.918470255882353,
"energy_above_hull": null,
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"energy_uncorrected": -93.74399435,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.733000Z",
"spacegroup": 12
},
{
"id": "mp-514",
"created_at": "2022-09-04T14:47:56.685792Z",
"structure_string": "Hf2 Zn4\n1.0\n0.000000 3.677908 3.677908\n3.677908 0.000000 3.677908\n3.677908 3.677908 0.000000\nHf Zn\n2 4\ndirect\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Hf\n0.125000 0.125000 0.625000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.125000 Zn\n0.625000 0.125000 0.125000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Zn"
],
"chemical_system": "Hf-Zn",
"density": 10.323754437281863,
"density_atomic": 0.06030018856395984,
"volume": 99.50217640921399,
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"formula_full": "Hf2 Zn4",
"formula_reduced": "HfZn2",
"formula_anonymous": "AB2",
"energy": -26.25430372,
"energy_per_atom": -4.375717286666666,
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"energy_uncorrected": -26.25430372,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:21.174000Z",
"spacegroup": 227
},
{
"id": "mp-1218542",
"created_at": "2022-09-04T14:47:56.688222Z",
"structure_string": "Sr3 Ca1 V4 O12\n1.0\n3.906259 0.000000 0.000000\n0.000000 5.498752 0.000000\n0.000000 0.000000 10.994159\nSr Ca V O\n3 1 4 12\ndirect\n0.500000 0.000000 0.249211 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.750789 Sr\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.752150 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.247850 V\n0.000000 0.249288 0.625114 O\n0.000000 0.746966 0.875843 O\n0.000000 0.253034 0.124157 O\n0.000000 0.750712 0.374886 O\n0.000000 0.249288 0.374886 O\n0.000000 0.750712 0.625114 O\n0.000000 0.253034 0.875843 O\n0.000000 0.746966 0.124157 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.751948 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.248052 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-Sr-V",
"density": 4.913044184416544,
"density_atomic": 0.0846920828859685,
"volume": 236.14958232788408,
"volume_molar": 7.1106301259686315,
"formula_full": "Sr3 Ca1 V4 O12",
"formula_reduced": "Sr3CaV4O12",
"formula_anonymous": "AB3C4D12",
"energy": -160.1541036,
"energy_per_atom": -8.00770518,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:15.984000Z",
"spacegroup": 47
},
{
"id": "mp-2568",
"created_at": "2022-09-04T14:47:56.694597Z",
"structure_string": "Y1 Si2\n1.0\n2.046580 -3.544780 0.000000\n2.046580 3.544780 0.000000\n0.000000 0.000000 3.971799\nY Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.500000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 4.180343261820478,
"density_atomic": 0.052057820851156324,
"volume": 57.62822859177293,
"volume_molar": 11.568176810970442,
"formula_full": "Y1 Si2",
"formula_reduced": "YSi2",
"formula_anonymous": "AB2",
"energy": -18.75347491,
"energy_per_atom": -6.251158303333334,
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"energy_uncorrected": -18.89547491,
"band_gap": 0.0,
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"total_magnetization": 0.0014808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.788000Z",
"spacegroup": 191
},
{
"id": "mp-676528",
"created_at": "2022-09-04T14:47:56.699400Z",
"structure_string": "Sr2 Te10 O22\n1.0\n3.954878 0.000000 0.000000\n0.000000 7.132021 0.000000\n0.000000 0.968116 20.741897\nSr Te O\n2 10 22\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.761371 0.131326 Te\n0.500000 0.330172 0.205485 Te\n0.000000 0.127596 0.327048 Te\n0.500000 0.311522 0.637465 Te\n0.500000 0.000000 0.500000 Te\n0.500000 0.688478 0.362535 Te\n0.000000 0.872404 0.672952 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.669828 0.794515 Te\n0.000000 0.238629 0.868674 Te\n0.500000 0.574828 0.228090 O\n0.000000 0.581951 0.382366 O\n0.000000 0.271537 0.236923 O\n0.500000 0.196394 0.294955 O\n0.500000 0.407165 0.547369 O\n0.500000 0.948110 0.397685 O\n0.000000 0.892306 0.294445 O\n0.000000 0.188827 0.483267 O\n0.000000 0.811173 0.516733 O\n0.000000 0.107694 0.705555 O\n0.500000 0.592835 0.452631 O\n0.500000 0.051890 0.602315 O\n0.500000 0.151686 0.886774 O\n0.500000 0.803606 0.705045 O\n0.000000 0.418049 0.617634 O\n0.000000 0.728463 0.763077 O\n0.000000 0.809187 0.034298 O\n0.000000 0.504174 0.883952 O\n0.500000 0.425172 0.771910 O\n0.000000 0.190813 0.965702 O\n0.000000 0.495826 0.116048 O\n0.500000 0.848314 0.113226 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Sr",
"Te",
"O"
],
"chemical_system": "O-Sr-Te",
"density": 5.118058826117452,
"density_atomic": 0.058114531300371815,
"volume": 585.0516082503873,
"volume_molar": 10.362538637494737,
"formula_full": "Sr2 Te10 O22",
"formula_reduced": "SrTe5O11",
"formula_anonymous": "AB5C11",
"energy": -195.39977559,
"energy_per_atom": -5.747052223235293,
"energy_above_hull": null,
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"energy_uncorrected": -180.28577559,
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"updated_at": "2021-11-28T01:38:18.337000Z",
"spacegroup": 10
},
{
"id": "mp-1216532",
"created_at": "2022-09-04T14:47:56.701950Z",
"structure_string": "Tl1 Bi1 Te2\n1.0\n4.595419 0.000000 0.000000\n0.000000 4.595419 0.000000\n0.000000 0.000000 6.473883\nTl Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
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"elements": [
"Tl",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-Tl",
"density": 8.12038859887038,
"density_atomic": 0.029258018755846982,
"volume": 136.71465704425498,
"volume_molar": 20.582872716890726,
"formula_full": "Tl1 Bi1 Te2",
"formula_reduced": "TlBiTe2",
"formula_anonymous": "ABC2",
"energy": -14.15102921,
"energy_per_atom": -3.5377573025,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.685000Z",
"spacegroup": 123
},
{
"id": "mp-1235277",
"created_at": "2022-09-04T14:47:56.704700Z",
"structure_string": "Li1 Mn9 Cd1 O10\n1.0\n-4.613830 2.297475 2.310431\n2.303323 -4.677149 7.006903\n4.630347 2.323125 2.317764\nLi Mn Cd O\n1 9 1 10\ndirect\n0.894931 0.401723 0.426123 Li\n0.457306 0.398849 0.297028 Mn\n0.999658 0.010286 0.981604 Mn\n0.506938 0.998775 0.497679 Mn\n0.014006 0.644145 0.160082 Mn\n0.013653 0.162193 0.410804 Mn\n0.493641 0.202942 0.897582 Mn\n0.491407 0.592948 0.701567 Mn\n0.986760 0.393990 0.859192 Mn\n0.992895 0.786641 0.587763 Mn\n0.513904 0.797956 0.100096 Cd\n0.750594 0.014283 0.234166 O\n0.737239 0.405881 0.068152 O\n0.763149 0.206815 0.641822 O\n0.762636 0.572070 0.486578 O\n0.247027 0.195459 0.153121 O\n0.239880 0.803705 0.364628 O\n0.770947 0.811226 0.816486 O\n0.261258 0.010156 0.747081 O\n0.248818 0.399857 0.550247 O\n0.234304 0.588538 0.946769 O\n",
"nsites": 21,
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"elements": [
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"O"
],
"chemical_system": "Cd-Li-Mn-O",
"density": 5.143855069565698,
"density_atomic": 0.08406915906966242,
"volume": 249.79433876100416,
"volume_molar": 7.163317471761386,
"formula_full": "Li1 Mn9 Cd1 O10",
"formula_reduced": "LiMn9CdO10",
"formula_anonymous": "ABC9D10",
"energy": -170.65719797999998,
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"spacegroup": 1
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{
"id": "mp-1181503",
"created_at": "2022-09-04T14:47:56.707164Z",
"structure_string": "Hg4 C16 Br12 N4\n1.0\n17.842991 0.000000 0.000000\n0.000000 8.664867 0.000000\n0.000000 1.207679 9.350217\nHg C Br N\n4 16 12 4\ndirect\n0.514063 0.073235 0.937178 Hg\n0.014063 0.926765 0.062822 Hg\n0.605679 0.592954 0.706438 Hg\n0.105679 0.407046 0.293562 Hg\n0.366369 0.424713 0.450319 C\n0.866369 0.575287 0.549681 C\n0.366219 0.438713 0.580768 C\n0.866219 0.561287 0.419232 C\n0.369156 0.415622 0.188433 C\n0.869156 0.584378 0.811567 C\n0.372777 0.419255 0.050824 C\n0.872777 0.580745 0.949176 C\n0.830735 0.043655 0.347146 C\n0.330735 0.956345 0.652854 C\n0.562751 0.089996 0.435940 C\n0.062751 0.910004 0.564060 C\n0.760525 0.054843 0.338979 C\n0.260525 0.945157 0.661021 C\n0.688263 0.070250 0.325098 C\n0.188263 0.929750 0.674902 C\n0.423050 0.002042 0.586797 Br\n0.923050 0.997958 0.413203 Br\n0.394114 0.973571 0.029620 Br\n0.894114 0.026429 0.970380 Br\n0.632838 0.186265 0.846660 Br\n0.132838 0.813735 0.153340 Br\n0.368986 0.438808 0.773085 Br\n0.868986 0.561192 0.226915 Br\n0.615886 0.545370 0.458505 Br\n0.115886 0.454630 0.541495 Br\n0.595754 0.672657 0.944432 Br\n0.095754 0.327343 0.055568 Br\n0.366036 0.414086 0.319756 N\n0.866036 0.585914 0.680244 N\n0.623799 0.081753 0.381951 N\n0.123799 0.918247 0.618049 N\n",
"nsites": 36,
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"elements": [
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"C",
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"N"
],
"chemical_system": "Br-C-Hg-N",
"density": 2.3081580557063295,
"density_atomic": 0.024902976185669792,
"volume": 1445.6103451890178,
"volume_molar": 24.182413841223486,
"formula_full": "Hg4 C16 Br12 N4",
"formula_reduced": "HgC4Br3N",
"formula_anonymous": "ABC3D4",
"energy": -183.01630155,
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"updated_at": "2021-11-28T01:38:18.287000Z",
"spacegroup": 4
},
{
"id": "mp-1021168",
"created_at": "2022-09-04T14:47:56.849015Z",
"structure_string": "Ce2 Hf2 Mg12\n1.0\n5.059962 0.000000 0.000000\n0.000000 6.504991 0.000000\n0.000000 0.000000 11.536854\nCe Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.312298 Ce\n0.000000 0.000000 0.812298 Ce\n0.500000 0.500000 0.185983 Hf\n0.500000 0.000000 0.685983 Hf\n0.000000 0.261134 0.074887 Mg\n0.000000 0.738866 0.074887 Mg\n0.000000 0.000000 0.329199 Mg\n0.500000 0.755508 0.426054 Mg\n0.500000 0.244492 0.426054 Mg\n0.500000 0.000000 0.170638 Mg\n0.000000 0.761133 0.574887 Mg\n0.000000 0.238866 0.574887 Mg\n0.000000 0.500000 0.829199 Mg\n0.500000 0.255508 0.926054 Mg\n0.500000 0.744492 0.926054 Mg\n0.500000 0.500000 0.670638 Mg\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ce-Hf-Mg",
"density": 4.061847529345859,
"density_atomic": 0.042134576261671705,
"volume": 379.7356332868742,
"volume_molar": 14.29263397025811,
"formula_full": "Ce2 Hf2 Mg12",
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"energy": -48.80469519,
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"spacegroup": 38
},
{
"id": "mp-1197837",
"created_at": "2022-09-04T14:47:56.703861Z",
"structure_string": "Al4 H72 C24 N8 Cl12\n1.0\n10.287076 0.000000 0.000000\n0.000000 10.917928 0.000000\n0.000000 0.000000 13.968760\nAl H C N Cl\n4 72 24 8 12\ndirect\n0.703058 0.250000 0.476037 Al\n0.203058 0.250000 0.023963 Al\n0.296942 0.750000 0.523963 Al\n0.796942 0.750000 0.976037 Al\n0.492592 0.250000 0.223254 H\n0.992592 0.250000 0.276746 H\n0.507408 0.750000 0.776746 H\n0.007408 0.750000 0.723254 H\n0.636206 0.168092 0.257463 H\n0.136206 0.331908 0.242537 H\n0.363794 0.668092 0.742537 H\n0.863794 0.831908 0.757463 H\n0.363794 0.831908 0.742537 H\n0.863794 0.668092 0.757463 H\n0.636206 0.331908 0.257463 H\n0.136206 0.168092 0.242537 H\n0.507255 0.056507 0.374510 H\n0.007255 0.443493 0.125490 H\n0.492745 0.556507 0.625490 H\n0.992745 0.943493 0.874510 H\n0.492745 0.943493 0.625490 H\n0.992745 0.556507 0.874510 H\n0.507255 0.443493 0.374510 H\n0.007255 0.056507 0.125490 H\n0.409320 0.138024 0.458275 H\n0.909320 0.361976 0.041725 H\n0.590680 0.638024 0.541725 H\n0.090680 0.861976 0.958275 H\n0.590680 0.861976 0.541725 H\n0.090680 0.638024 0.958275 H\n0.409320 0.361976 0.458275 H\n0.909320 0.138024 0.041725 H\n0.369646 0.141416 0.333576 H\n0.869646 0.358584 0.166424 H\n0.630354 0.641416 0.666424 H\n0.130354 0.858584 0.833576 H\n0.630354 0.858584 0.666424 H\n0.130354 0.641416 0.833576 H\n0.369646 0.358584 0.333576 H\n0.869646 0.141416 0.166424 H\n0.080648 0.250000 0.588274 H\n0.580648 0.250000 0.911726 H\n0.919352 0.750000 0.411726 H\n0.419352 0.750000 0.088274 H\n0.010067 0.167888 0.490366 H\n0.510067 0.332112 0.009634 H\n0.989933 0.667888 0.509634 H\n0.489933 0.832112 0.990366 H\n0.989933 0.832112 0.509634 H\n0.489933 0.667888 0.990366 H\n0.010067 0.332112 0.490366 H\n0.510067 0.167888 0.009634 H\n0.875200 0.443091 0.602724 H\n0.375200 0.056909 0.897276 H\n0.124800 0.943091 0.397276 H\n0.624800 0.556909 0.102724 H\n0.124800 0.556909 0.397276 H\n0.624800 0.943091 0.102724 H\n0.875200 0.056909 0.602724 H\n0.375200 0.443091 0.897276 H\n0.952492 0.358953 0.696979 H\n0.452492 0.141047 0.803021 H\n0.047508 0.858953 0.303021 H\n0.547508 0.641047 0.196979 H\n0.047508 0.641047 0.303021 H\n0.547508 0.858953 0.196979 H\n0.952492 0.141047 0.696979 H\n0.452492 0.358953 0.803021 H\n0.779041 0.361806 0.688251 H\n0.279041 0.138194 0.811749 H\n0.220959 0.861806 0.311749 H\n0.720959 0.638194 0.188251 H\n0.220959 0.638194 0.311749 H\n0.720959 0.861806 0.188251 H\n0.779041 0.138194 0.688251 H\n0.279041 0.361806 0.811749 H\n0.449708 0.139521 0.385853 C\n0.949708 0.360479 0.114147 C\n0.550292 0.639521 0.614147 C\n0.050292 0.860479 0.885853 C\n0.550292 0.860479 0.614147 C\n0.050292 0.639521 0.885853 C\n0.449708 0.360479 0.385853 C\n0.949708 0.139521 0.114147 C\n0.577699 0.250000 0.271383 C\n0.077699 0.250000 0.228617 C\n0.422301 0.750000 0.728617 C\n0.922301 0.750000 0.771383 C\n0.001217 0.250000 0.535236 C\n0.501217 0.250000 0.964764 C\n0.998783 0.750000 0.464764 C\n0.498783 0.750000 0.035236 C\n0.869653 0.360114 0.646982 C\n0.369653 0.139886 0.853018 C\n0.130347 0.860114 0.353018 C\n0.630347 0.639886 0.146982 C\n0.130347 0.639886 0.353018 C\n0.630347 0.860114 0.146982 C\n0.869653 0.139886 0.646982 C\n0.369653 0.360114 0.853018 C\n0.533030 0.250000 0.372565 N\n0.033030 0.250000 0.127435 N\n0.466970 0.750000 0.627435 N\n0.966970 0.750000 0.872565 N\n0.873712 0.250000 0.584535 N\n0.373712 0.250000 0.915465 N\n0.126288 0.750000 0.415465 N\n0.626288 0.750000 0.084535 N\n0.569177 0.250000 0.595980 Cl\n0.069177 0.250000 0.904020 Cl\n0.430823 0.750000 0.404020 Cl\n0.930823 0.750000 0.095980 Cl\n0.773079 0.421728 0.416601 Cl\n0.273079 0.078272 0.083399 Cl\n0.226921 0.921728 0.583399 Cl\n0.726921 0.578272 0.916601 Cl\n0.226921 0.578272 0.583399 Cl\n0.726921 0.921728 0.916601 Cl\n0.773079 0.078272 0.416601 Cl\n0.273079 0.421728 0.083399 Cl\n",
"nsites": 120,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "Al-C-Cl-H-N",
"density": 1.0650315477122803,
"density_atomic": 0.07648763205332372,
"volume": 1568.8810959181142,
"volume_molar": 7.873352329434955,
"formula_full": "Al4 H72 C24 N8 Cl12",
"formula_reduced": "AlH18C6N2Cl3",
"formula_anonymous": "AB2C3D6E18",
"energy": -623.8152937599999,
"energy_per_atom": -5.198460781333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -613.55929376,
"band_gap": 5.384399999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.615000Z",
"spacegroup": 62
},
{
"id": "mp-1246870",
"created_at": "2022-09-04T14:47:56.713221Z",
"structure_string": "Ca10 Cu2 N8\n1.0\n8.341356 0.000000 0.000000\n0.000000 7.334164 0.000000\n0.000000 0.000000 6.218072\nCa Cu N\n10 2 8\ndirect\n0.538856 0.519239 0.260073 Ca\n0.961144 0.519239 0.260073 Ca\n0.538856 0.980761 0.260073 Ca\n0.961144 0.980761 0.260073 Ca\n0.461144 0.480761 0.739927 Ca\n0.038856 0.480761 0.739927 Ca\n0.461144 0.019239 0.739927 Ca\n0.038856 0.019239 0.739927 Ca\n0.750000 0.750000 0.755164 Ca\n0.250000 0.250000 0.244836 Ca\n0.750000 0.250000 0.983211 Cu\n0.250000 0.750000 0.016789 Cu\n0.750000 0.002432 0.981737 N\n0.750000 0.497568 0.981737 N\n0.250000 0.997568 0.018263 N\n0.250000 0.502432 0.018263 N\n0.529183 0.750000 0.528515 N\n0.970817 0.750000 0.528515 N\n0.470817 0.250000 0.471485 N\n0.029183 0.250000 0.471485 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"N"
],
"chemical_system": "Ca-Cu-N",
"density": 2.793415646810206,
"density_atomic": 0.052575931427312636,
"volume": 380.40220034238354,
"volume_molar": 11.454177979377768,
"formula_full": "Ca10 Cu2 N8",
"formula_reduced": "Ca5CuN4",
"formula_anonymous": "AB4C5",
"energy": -107.6296307,
"energy_per_atom": -5.381481535000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -104.7416307,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9999938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.048000Z",
"spacegroup": 59
}
]
}