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{
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"results": [
{
"id": "mp-1105530",
"created_at": "2022-09-04T14:42:48.967725Z",
"structure_string": "K2 Zn2 B2 H8 Cl4\n1.0\n6.185391 0.000000 0.000000\n0.000000 6.879814 0.000000\n0.000000 1.584716 7.888152\nK Zn B H Cl\n2 2 2 8 4\ndirect\n0.250000 0.508547 0.746225 K\n0.750000 0.491453 0.253775 K\n0.250000 0.973214 0.338089 Zn\n0.750000 0.026786 0.661911 Zn\n0.250000 0.196265 0.101737 B\n0.750000 0.803735 0.898263 B\n0.250000 0.371294 0.102338 H\n0.750000 0.628706 0.897662 H\n0.079355 0.131103 0.177253 H\n0.579355 0.868897 0.822747 H\n0.920645 0.868897 0.822747 H\n0.420645 0.131103 0.177253 H\n0.250000 0.140733 0.967488 H\n0.750000 0.859267 0.032512 H\n0.250000 0.037866 0.601528 Cl\n0.750000 0.962134 0.398472 Cl\n0.250000 0.647759 0.335783 Cl\n0.750000 0.352241 0.664217 Cl\n",
"nsites": 18,
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"volume": 335.6750990029161,
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"formula_full": "K2 Zn2 B2 H8 Cl4",
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"updated_at": "2021-11-28T01:36:07.407000Z",
"spacegroup": 11
},
{
"id": "mp-1225446",
"created_at": "2022-09-04T14:42:48.969523Z",
"structure_string": "Dy1 Fe10 Mo2\n1.0\n0.000000 0.000000 4.726745\n-4.314467 4.257853 2.363372\n-4.314467 -4.257853 -2.363372\nDy Fe Mo\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.718398 0.781602 0.218398 Fe\n0.281602 0.218398 0.781602 Fe\n0.500000 0.774602 0.774602 Fe\n0.500000 0.225398 0.225398 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.642847 0.357153 0.642847 Fe\n0.357153 0.642847 0.357153 Fe\n0.000000 0.357823 0.357823 Mo\n0.000000 0.642177 0.642177 Mo\n",
"nsites": 13,
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"elements": [
"Dy",
"Fe",
"Mo"
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"chemical_system": "Dy-Fe-Mo",
"density": 8.728286994631171,
"density_atomic": 0.07485716372332657,
"volume": 173.6640737291121,
"volume_molar": 8.044842284244087,
"formula_full": "Dy1 Fe10 Mo2",
"formula_reduced": "Dy(Fe5Mo)2",
"formula_anonymous": "AB2C10",
"energy": -111.10126497,
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"updated_at": "2021-11-28T01:35:50.024000Z",
"spacegroup": 71
},
{
"id": "mp-849767",
"created_at": "2022-09-04T14:42:48.972443Z",
"structure_string": "Mn6 Sn2 O16\n1.0\n-2.914789 1.682852 4.759864\n2.914792 -5.048531 -0.000008\n9.350047 2.032533 5.007136\nMn Sn O\n6 2 16\ndirect\n0.500000 0.499999 0.000000 Mn\n0.500001 0.999998 0.000000 Mn\n0.000001 0.500003 0.000000 Mn\n0.999999 0.499999 0.500000 Mn\n0.000001 0.000001 0.500000 Mn\n0.500000 0.500001 0.500000 Mn\n0.749988 0.499976 0.750035 Sn\n0.250011 0.500023 0.249965 Sn\n0.865056 0.730113 0.404831 O\n0.365058 0.730116 0.904825 O\n0.634942 0.269883 0.095175 O\n0.134943 0.269887 0.595169 O\n0.100342 0.746437 0.607469 O\n0.600295 0.746407 0.107482 O\n0.646094 0.292189 0.607469 O\n0.146111 0.292223 0.107482 O\n0.646095 0.746437 0.607469 O\n0.146112 0.746406 0.107482 O\n0.853888 0.253594 0.892518 O\n0.353905 0.253563 0.392531 O\n0.853889 0.707777 0.892518 O\n0.353906 0.707812 0.392531 O\n0.399705 0.253593 0.892518 O\n0.899658 0.253563 0.392531 O\n",
"nsites": 24,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 4.525380853158566,
"density_atomic": 0.07946887015575388,
"volume": 302.0050486808425,
"volume_molar": 7.577987139111191,
"formula_full": "Mn6 Sn2 O16",
"formula_reduced": "Mn3SnO8",
"formula_anonymous": "AB3C8",
"energy": -185.01561482,
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"updated_at": "2021-11-28T01:35:50.683000Z",
"spacegroup": 166
},
{
"id": "mp-1194352",
"created_at": "2022-09-04T14:42:48.990770Z",
"structure_string": "Ag4 I12 N8 O4\n1.0\n0.000000 0.000000 -3.029896\n0.000000 -11.328922 0.000000\n-22.951517 0.000000 0.000000\nAg I N O\n4 12 8 4\ndirect\n0.750000 0.322347 0.850734 Ag\n0.750000 0.822347 0.649266 Ag\n0.250000 0.677653 0.149266 Ag\n0.250000 0.177653 0.350734 Ag\n0.750000 0.326837 0.727188 I\n0.750000 0.826837 0.772812 I\n0.250000 0.673163 0.272812 I\n0.250000 0.173163 0.227188 I\n0.750000 0.100509 0.903998 I\n0.750000 0.600509 0.596002 I\n0.250000 0.899491 0.096002 I\n0.250000 0.399491 0.403998 I\n0.250000 0.512437 0.906125 I\n0.250000 0.012437 0.593875 I\n0.750000 0.487563 0.093875 I\n0.750000 0.987563 0.406125 I\n0.250000 0.100718 0.772191 N\n0.250000 0.600718 0.727809 N\n0.750000 0.899282 0.227809 N\n0.750000 0.399282 0.272191 N\n0.750000 0.269788 0.558938 N\n0.750000 0.769788 0.941062 N\n0.250000 0.730212 0.441062 N\n0.250000 0.230212 0.058938 N\n0.250000 0.303069 0.551980 O\n0.250000 0.803069 0.948020 O\n0.750000 0.696931 0.448020 O\n0.750000 0.196931 0.051980 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ag",
"I",
"N",
"O"
],
"chemical_system": "Ag-I-N-O",
"density": 4.4903272011615,
"density_atomic": 0.0355410559627117,
"volume": 787.8212743418912,
"volume_molar": 16.94418074217659,
"formula_full": "Ag4 I12 N8 O4",
"formula_reduced": "AgI3N2O",
"formula_anonymous": "ABC2D3",
"energy": -87.44186403,
"energy_per_atom": -3.122923715357143,
"energy_above_hull": null,
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"energy_uncorrected": -80.14586403,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:50.732000Z",
"spacegroup": 62
},
{
"id": "mp-1206412",
"created_at": "2022-09-04T14:42:48.995303Z",
"structure_string": "Nd2 Ga1 Co2\n1.0\n-2.054223 2.758854 4.370105\n2.054223 -2.758854 4.370105\n2.054223 2.758854 -4.370105\nNd Ga Co\n2 1 2\ndirect\n0.294143 0.794143 0.500000 Nd\n0.705857 0.205857 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n0.712685 0.500000 0.212685 Co\n0.287315 0.500000 0.787315 Co\n",
"nsites": 5,
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"elements": [
"Nd",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Nd",
"density": 7.97985199117034,
"density_atomic": 0.05047099140680926,
"volume": 99.06680769748914,
"volume_molar": 11.931885211962621,
"formula_full": "Nd2 Ga1 Co2",
"formula_reduced": "Nd2GaCo2",
"formula_anonymous": "AB2C2",
"energy": -28.18321433,
"energy_per_atom": -5.636642866,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:00.588000Z",
"spacegroup": 71
},
{
"id": "mp-1104438",
"created_at": "2022-09-04T14:42:49.003120Z",
"structure_string": "Hf1 Ga6 Fe6\n1.0\n-4.987911 0.000000 0.000000\n-2.493955 -4.201628 4.298236\n-2.493955 4.201628 4.298236\nHf Ga Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.668763 0.331237 Ga\n0.000000 0.331237 0.668763 Ga\n0.340570 0.659430 0.659430 Ga\n0.659430 0.340570 0.340570 Ga\n0.326853 0.173147 0.173147 Ga\n0.673147 0.826853 0.826853 Ga\n0.500000 0.244120 0.755880 Fe\n0.500000 0.755880 0.244120 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Hf",
"density": 8.58936246189497,
"density_atomic": 0.07215838508365434,
"volume": 180.15924254580943,
"volume_molar": 8.34572552173727,
"formula_full": "Hf1 Ga6 Fe6",
"formula_reduced": "Hf(GaFe)6",
"formula_anonymous": "AB6C6",
"energy": -82.65865662,
"energy_per_atom": -6.358358201538461,
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"updated_at": "2021-11-28T01:35:50.345000Z",
"spacegroup": 71
},
{
"id": "mp-1226620",
"created_at": "2022-09-04T14:42:49.006269Z",
"structure_string": "Ce1 Cu1 Si1\n1.0\n2.056462 -3.561896 0.000000\n2.056462 3.561896 0.000000\n0.000000 0.000000 4.046824\nCe Cu Si\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Si\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ce-Cu-Si",
"density": 6.491094308631935,
"density_atomic": 0.050602854779264274,
"volume": 59.28519276405175,
"volume_molar": 11.90079252696177,
"formula_full": "Ce1 Cu1 Si1",
"formula_reduced": "CeCuSi",
"formula_anonymous": "ABC",
"energy": -17.06267972,
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"updated_at": "2021-11-28T01:35:50.577000Z",
"spacegroup": 187
},
{
"id": "mp-1209488",
"created_at": "2022-09-04T14:42:49.006576Z",
"structure_string": "Rb8 Pr4 Br20\n1.0\n8.783487 0.000000 0.000000\n0.000000 9.453188 0.000000\n0.000000 0.000000 14.106720\nRb Pr Br\n8 4 20\ndirect\n0.947477 0.005060 0.827888 Rb\n0.052523 0.994940 0.172112 Rb\n0.447477 0.994940 0.672112 Rb\n0.052523 0.505060 0.172112 Rb\n0.552523 0.005060 0.327888 Rb\n0.947477 0.494940 0.827888 Rb\n0.552523 0.494940 0.327888 Rb\n0.447477 0.505060 0.672112 Rb\n0.924618 0.750000 0.504634 Pr\n0.075382 0.250000 0.495366 Pr\n0.424618 0.250000 0.995366 Pr\n0.575382 0.750000 0.004634 Pr\n0.122096 0.750000 0.674916 Br\n0.877904 0.250000 0.325084 Br\n0.622096 0.250000 0.825084 Br\n0.377904 0.750000 0.174916 Br\n0.839158 0.042318 0.574346 Br\n0.160842 0.957682 0.425654 Br\n0.339158 0.957682 0.925654 Br\n0.160842 0.542318 0.425654 Br\n0.660842 0.042318 0.074346 Br\n0.839158 0.457682 0.574346 Br\n0.660842 0.457682 0.074346 Br\n0.339158 0.542318 0.925654 Br\n0.584730 0.750000 0.508783 Br\n0.415270 0.250000 0.491217 Br\n0.084730 0.250000 0.991217 Br\n0.915270 0.750000 0.008783 Br\n0.660551 0.750000 0.800709 Br\n0.339449 0.250000 0.199291 Br\n0.160551 0.250000 0.699291 Br\n0.839449 0.750000 0.300709 Br\n",
"nsites": 32,
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"elements": [
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"Pr",
"Br"
],
"chemical_system": "Br-Pr-Rb",
"density": 4.033937915230114,
"density_atomic": 0.02731987287902412,
"volume": 1171.3085248126915,
"volume_molar": 22.04307753065619,
"formula_full": "Rb8 Pr4 Br20",
"formula_reduced": "Rb2PrBr5",
"formula_anonymous": "AB2C5",
"energy": -130.6649558,
"energy_per_atom": -4.08327986875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:52.939000Z",
"spacegroup": 62
},
{
"id": "mp-1254365",
"created_at": "2022-09-04T14:42:49.014421Z",
"structure_string": "Na8 Al11 Si13 Ag3 O48\n1.0\n12.675282 0.022788 0.108272\n0.021334 12.466212 0.011353\n0.114084 0.010693 11.813302\nNa Al Si Ag O\n8 11 13 3 48\ndirect\n0.206507 0.201979 0.194027 Na\n0.586158 0.996897 0.536833 Na\n0.583930 0.377115 0.916187 Na\n0.593669 0.606363 0.061530 Na\n0.795428 0.200708 0.828382 Na\n0.773863 0.216129 0.195764 Na\n0.789545 0.794888 0.182308 Na\n0.779424 0.804362 0.817968 Na\n0.181032 0.367926 0.001244 Al\n0.378929 0.002151 0.797006 Al\n0.379763 0.808745 0.999453 Al\n0.612728 0.999043 0.222659 Al\n0.623792 0.173266 0.008170 Al\n0.619164 0.003739 0.794994 Al\n0.622251 0.826423 0.011498 Al\n0.821666 0.999490 0.370542 Al\n0.838567 0.994861 0.641882 Al\n0.813347 0.380056 0.003788 Al\n0.819072 0.626781 0.994934 Al\n0.979633 0.182156 0.366248 Si\n0.996987 0.375981 0.194420 Si\n0.988387 0.181795 0.634776 Si\n0.002021 0.622747 0.190022 Si\n0.005000 0.372714 0.809570 Si\n0.989317 0.821108 0.362967 Si\n0.009363 0.624516 0.807075 Si\n0.001139 0.815909 0.632920 Si\n0.170661 0.004082 0.624757 Si\n0.184115 0.624552 0.998163 Si\n0.160901 0.006298 0.360607 Si\n0.368716 0.000517 0.192162 Si\n0.377856 0.187256 0.999806 Si\n0.214075 0.807371 0.803845 Ag\n0.206902 0.192837 0.805015 Ag\n0.205883 0.796013 0.194092 Ag\n0.994761 0.299642 0.307333 O\n0.010020 0.500584 0.238495 O\n0.002192 0.298875 0.694922 O\n0.008137 0.706753 0.296426 O\n0.991321 0.791757 0.497477 O\n0.099017 0.112181 0.651572 O\n0.109434 0.649844 0.113219 O\n0.112255 0.656547 0.885725 O\n0.108593 0.890096 0.653656 O\n0.090674 0.114274 0.335300 O\n0.101318 0.339954 0.121492 O\n0.110521 0.334436 0.877658 O\n0.097344 0.894596 0.331185 O\n0.199918 0.003149 0.489790 O\n0.219068 0.501226 0.994308 O\n0.262317 0.018262 0.276893 O\n0.287532 0.280228 0.017147 O\n0.280950 0.706673 0.004426 O\n0.272559 0.012604 0.700298 O\n0.356498 0.107619 0.110706 O\n0.354999 0.119842 0.884029 O\n0.345190 0.890536 0.121903 O\n0.353286 0.885949 0.878469 O\n0.495010 0.239669 0.001965 O\n0.497389 0.007055 0.724256 O\n0.474569 0.001205 0.263133 O\n0.502897 0.751040 0.014075 O\n0.641386 0.112131 0.137995 O\n0.644251 0.120831 0.873294 O\n0.642154 0.884075 0.144191 O\n0.639092 0.896048 0.886372 O\n0.686197 0.000635 0.350118 O\n0.714620 0.283729 0.003543 O\n0.725057 0.726423 0.006199 O\n0.707929 0.988791 0.678820 O\n0.875234 0.998034 0.502349 O\n0.748446 0.504775 0.994666 O\n0.894466 0.116665 0.697780 O\n0.897007 0.642498 0.118303 O\n0.899034 0.650200 0.872136 O\n0.902146 0.874461 0.694277 O\n0.880611 0.120963 0.311654 O\n0.887055 0.361006 0.128282 O\n0.896878 0.355491 0.882859 O\n0.886573 0.879677 0.312348 O\n0.974474 0.207572 0.501059 O\n0.018966 0.498589 0.770246 O\n0.024067 0.699634 0.693642 O\n",
"nsites": 83,
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"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-Al-Na-O-Si",
"density": 1.7236258153472996,
"density_atomic": 0.04446846683721076,
"volume": 1866.4911543688854,
"volume_molar": 13.542496938438937,
"formula_full": "Na8 Al11 Si13 Ag3 O48",
"formula_reduced": "Na8Al11Si13(AgO16)3",
"formula_anonymous": "A3B8C11D13E48",
"energy": -612.5465972,
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"updated_at": "2021-11-28T01:35:58.718000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:42:49.017807Z",
"structure_string": "Mn3 Sn1 C1\n1.0\n3.893463 0.000000 0.000000\n0.000000 3.893463 0.000000\n0.000000 0.000000 3.893463\nMn Sn C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 C\n",
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"elements": [
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"Sn",
"C"
],
"chemical_system": "C-Mn-Sn",
"density": 8.314758135519723,
"density_atomic": 0.08471529911991418,
"volume": 59.02121637937581,
"volume_molar": 7.108681457260374,
"formula_full": "Mn3 Sn1 C1",
"formula_reduced": "Mn3SnC",
"formula_anonymous": "ABC3",
"energy": -40.80548844,
"energy_per_atom": -8.161097688,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -40.80548844,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:49.413000Z",
"spacegroup": 221
},
{
"id": "mp-1078592",
"created_at": "2022-09-04T14:42:48.985101Z",
"structure_string": "Er3 Al3 Cu3\n1.0\n3.480566 -6.028517 0.000000\n3.480566 6.028517 0.000000\n0.000000 0.000000 4.016175\nEr Al Cu\n3 3 3\ndirect\n0.414397 0.000000 0.500000 Er\n0.000000 0.414397 0.500000 Er\n0.585603 0.585603 0.500000 Er\n0.764965 0.000000 0.000000 Al\n0.000000 0.764965 0.000000 Al\n0.235035 0.235035 0.000000 Al\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
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"elements": [
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],
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"density": 7.619519763001011,
"density_atomic": 0.05339978666238754,
"volume": 168.5399991745511,
"volume_molar": 11.277462207993674,
"formula_full": "Er3 Al3 Cu3",
"formula_reduced": "ErAlCu",
"formula_anonymous": "ABC",
"energy": -41.40611770000001,
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"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
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"updated_at": "2021-11-28T01:35:50.369000Z",
"spacegroup": 189
},
{
"id": "mp-31153",
"created_at": "2022-09-04T14:42:48.999122Z",
"structure_string": "Ca4 Ge4 Pt4\n1.0\n4.445559 0.000000 0.000000\n0.000000 7.233810 0.000000\n0.000000 0.000000 7.508670\nCa Ge Pt\n4 4 4\ndirect\n0.750000 0.006896 0.696193 Ca\n0.250000 0.993104 0.303807 Ca\n0.750000 0.506896 0.803807 Ca\n0.250000 0.493104 0.196193 Ca\n0.750000 0.680192 0.416741 Ge\n0.250000 0.319808 0.583259 Ge\n0.750000 0.180192 0.083259 Ge\n0.250000 0.819808 0.916741 Ge\n0.750000 0.802040 0.092410 Pt\n0.250000 0.197960 0.907590 Pt\n0.750000 0.302040 0.407590 Pt\n0.250000 0.697960 0.592410 Pt\n",
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"nelements": 3,
"elements": [
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"Ge",
"Pt"
],
"chemical_system": "Ca-Ge-Pt",
"density": 8.466892237661163,
"density_atomic": 0.049696379691393365,
"volume": 241.46628133715367,
"volume_molar": 12.117866125050835,
"formula_full": "Ca4 Ge4 Pt4",
"formula_reduced": "CaGePt",
"formula_anonymous": "ABC",
"energy": -61.6821987,
"energy_per_atom": -5.140183225,
"energy_above_hull": null,
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"total_magnetization": 5.66e-05,
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"updated_at": "2021-11-28T01:35:54.360000Z",
"spacegroup": 62
}
]
}