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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12166",
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"results": [
{
"id": "mp-1104440",
"created_at": "2022-09-04T14:43:15.051968Z",
"structure_string": "Rb4 Mo2 S4 O4\n1.0\n3.727507 5.893531 0.000000\n-3.727507 5.893531 0.000000\n0.000000 5.257268 8.729037\nRb Mo S O\n4 2 4 4\ndirect\n0.764868 0.656179 0.665030 Rb\n0.343821 0.235132 0.834970 Rb\n0.235132 0.343821 0.334970 Rb\n0.656179 0.764868 0.165030 Rb\n0.078252 0.921748 0.750000 Mo\n0.921748 0.078252 0.250000 Mo\n0.240092 0.730112 0.935788 S\n0.269888 0.759908 0.564212 S\n0.759908 0.269888 0.064212 S\n0.730112 0.240092 0.435788 S\n0.089103 0.201910 0.673792 O\n0.798090 0.910897 0.826208 O\n0.910897 0.798090 0.326208 O\n0.201910 0.089103 0.173792 O\n",
"nsites": 14,
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"elements": [
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"Mo",
"S",
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],
"chemical_system": "Mo-O-Rb-S",
"density": 3.1434069737363894,
"density_atomic": 0.03650376548560729,
"volume": 383.52207816807066,
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"formula_full": "Rb4 Mo2 S4 O4",
"formula_reduced": "Rb2Mo(SO)2",
"formula_anonymous": "AB2C2D2",
"energy": -84.25381135,
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"updated_at": "2021-11-28T01:36:11.737000Z",
"spacegroup": 15
},
{
"id": "mp-1235332",
"created_at": "2022-09-04T14:43:14.855407Z",
"structure_string": "Li1 Ho2 Cu1 Si4 O12\n1.0\n5.005989 -0.037880 0.405146\n1.384357 6.310259 3.001999\n-0.016837 -0.000397 7.780955\nLi Ho Cu Si O\n1 2 1 4 12\ndirect\n0.893843 0.326519 0.006943 Li\n0.013314 0.785033 0.432611 Ho\n0.978152 0.220489 0.573451 Ho\n0.011385 0.949700 0.006287 Cu\n0.577755 0.594092 0.215860 Si\n0.414008 0.416272 0.782643 Si\n0.434672 0.182636 0.217459 Si\n0.550120 0.822560 0.781773 Si\n0.300728 0.756549 0.217143 O\n0.718149 0.276121 0.798960 O\n0.284736 0.332840 0.001968 O\n0.692485 0.653697 0.994558 O\n0.192009 0.438987 0.631930 O\n0.813623 0.563499 0.362116 O\n0.287902 0.994667 0.794066 O\n0.716860 0.029157 0.198757 O\n0.533815 0.347485 0.288229 O\n0.436575 0.669035 0.704095 O\n0.195865 0.088868 0.360554 O\n0.787336 0.922163 0.638930 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Cu-Ho-Li-O-Si",
"density": 4.751850675028275,
"density_atomic": 0.08121761525776201,
"volume": 246.25199763038586,
"volume_molar": 7.414820960806851,
"formula_full": "Li1 Ho2 Cu1 Si4 O12",
"formula_reduced": "LiHo2Cu(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy": -159.6308629,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.910000Z",
"spacegroup": 1
},
{
"id": "mp-860891",
"created_at": "2022-09-04T14:43:14.907867Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n-1.154331 -0.444605 5.882891\n6.680184 0.006732 -0.009653\n2.819246 9.212745 -0.052724\nLi Mn P O\n4 4 4 16\ndirect\n0.597902 0.194778 0.280773 Li\n0.402065 0.805226 0.719220 Li\n0.431671 0.338279 0.679483 Li\n0.568300 0.661712 0.320540 Li\n0.013532 0.933576 0.282884 Mn\n0.795067 0.354393 0.929883 Mn\n0.986450 0.066446 0.717086 Mn\n0.205022 0.645366 0.070064 Mn\n0.163417 0.292519 0.387123 P\n0.836554 0.707496 0.612883 P\n0.288967 0.183447 0.012070 P\n0.711062 0.816560 0.987935 P\n0.533412 0.262718 0.069033 O\n0.466623 0.737298 0.930952 O\n0.310156 0.134929 0.368162 O\n0.689816 0.865084 0.631850 O\n0.917346 0.217212 0.328863 O\n0.082620 0.782815 0.671150 O\n0.790253 0.046512 0.891029 O\n0.209788 0.953526 0.108994 O\n0.127092 0.329910 0.029655 O\n0.872963 0.670139 0.970359 O\n0.173997 0.289348 0.550097 O\n0.825982 0.710691 0.449910 O\n0.281874 0.185307 0.850131 O\n0.718091 0.814701 0.149867 O\n0.738460 0.475883 0.699958 O\n0.261515 0.524128 0.300048 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.8804250569092242,
"density_atomic": 0.077414065002286,
"volume": 361.6913799730472,
"volume_molar": 7.779130006701198,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -217.30285388,
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"energy_uncorrected": -199.63885388,
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"updated_at": "2021-11-28T01:36:13.811000Z",
"spacegroup": 2
},
{
"id": "mp-1201675",
"created_at": "2022-09-04T14:43:08.924903Z",
"structure_string": "Sr8 Mn8 Se4 O16\n1.0\n6.354416 0.000000 0.000000\n0.000000 9.665416 0.000000\n0.000000 0.000000 10.448618\nSr Mn Se O\n8 8 4 16\ndirect\n0.234834 0.871503 0.451588 Sr\n0.265166 0.371503 0.048412 Sr\n0.765166 0.128497 0.951588 Sr\n0.734834 0.628497 0.548412 Sr\n0.765166 0.128497 0.548412 Sr\n0.734834 0.628497 0.951588 Sr\n0.234834 0.871503 0.048412 Sr\n0.265166 0.371503 0.451588 Sr\n0.725004 0.879941 0.250000 Mn\n0.774996 0.379941 0.250000 Mn\n0.274996 0.120059 0.750000 Mn\n0.225004 0.620059 0.750000 Mn\n0.532003 0.620597 0.250000 Mn\n0.967997 0.120597 0.250000 Mn\n0.467997 0.379403 0.750000 Mn\n0.032003 0.879403 0.750000 Mn\n0.409253 0.114836 0.250000 Se\n0.090747 0.614836 0.250000 Se\n0.590747 0.885164 0.750000 Se\n0.909253 0.385164 0.750000 Se\n0.602036 0.475603 0.373074 O\n0.897964 0.975603 0.126926 O\n0.397964 0.524397 0.873074 O\n0.102036 0.024397 0.626926 O\n0.397964 0.524397 0.626926 O\n0.102036 0.024397 0.873074 O\n0.602036 0.475603 0.126926 O\n0.897964 0.975603 0.373074 O\n0.574635 0.768806 0.375296 O\n0.925365 0.268806 0.124704 O\n0.425365 0.231194 0.875296 O\n0.074635 0.731194 0.624704 O\n0.425365 0.231194 0.624704 O\n0.074635 0.731194 0.875296 O\n0.574635 0.768806 0.124704 O\n0.925365 0.268806 0.375296 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se-Sr",
"density": 4.430702390165493,
"density_atomic": 0.056098009951555984,
"volume": 641.7339943268606,
"volume_molar": 10.735034567537213,
"formula_full": "Sr8 Mn8 Se4 O16",
"formula_reduced": "Sr2Mn2SeO4",
"formula_anonymous": "AB2C2D4",
"energy": -266.5109233,
"energy_per_atom": -7.403081202777778,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:57.526000Z",
"spacegroup": 62
},
{
"id": "mp-752708",
"created_at": "2022-09-04T14:43:11.497375Z",
"structure_string": "Li4 V4 P4 O16\n1.0\n4.958762 0.000009 -0.014805\n0.000018 9.908241 -0.000006\n-0.038304 -0.000005 7.216427\nLi V P O\n4 4 4 16\ndirect\n0.200230 0.170099 0.512741 Li\n0.299817 0.670045 0.987244 Li\n0.700223 0.329896 0.012730 Li\n0.799816 0.829948 0.487237 Li\n0.270494 0.614283 0.484262 V\n0.770496 0.885714 0.984239 V\n0.229454 0.114270 0.015803 V\n0.729418 0.385748 0.515757 V\n0.192381 0.404697 0.232480 P\n0.307631 0.904692 0.267509 P\n0.692394 0.095308 0.732485 P\n0.807623 0.595303 0.767510 P\n0.113045 0.626777 0.759879 O\n0.386972 0.126837 0.740143 O\n0.613053 0.873223 0.259869 O\n0.886958 0.373169 0.240121 O\n0.197313 0.879838 0.060199 O\n0.302675 0.379820 0.439787 O\n0.697316 0.620166 0.560197 O\n0.802695 0.120170 0.939799 O\n0.172687 0.814491 0.412939 O\n0.327361 0.314490 0.087043 O\n0.672676 0.685499 0.912943 O\n0.827371 0.185519 0.587051 O\n0.247335 0.056050 0.301128 O\n0.252624 0.556042 0.198903 O\n0.747333 0.443944 0.801110 O\n0.752611 0.943960 0.698892 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.863520777526446,
"density_atomic": 0.07897195059543717,
"volume": 354.5562669895326,
"volume_molar": 7.625670525539667,
"formula_full": "Li4 V4 P4 O16",
"formula_reduced": "LiVPO4",
"formula_anonymous": "ABCD4",
"energy": -216.66213888,
"energy_per_atom": -7.737933531428571,
"energy_above_hull": null,
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"energy_uncorrected": -198.87013888,
"band_gap": 2.1204,
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"updated_at": "2021-11-28T01:36:19.615000Z",
"spacegroup": 14
},
{
"id": "mp-558337",
"created_at": "2022-09-04T14:43:18.573916Z",
"structure_string": "Rb16 Fe16 O32\n1.0\n5.827681 0.000000 0.000000\n0.000000 11.726099 0.000000\n0.000000 0.000000 16.683614\nRb Fe O\n16 16 32\ndirect\n0.300347 0.239402 0.814649 Rb\n0.800347 0.260598 0.185351 Rb\n0.248206 0.510837 0.438005 Rb\n0.751794 0.010837 0.061995 Rb\n0.248206 0.989163 0.938005 Rb\n0.748206 0.510837 0.061995 Rb\n0.800347 0.239402 0.685351 Rb\n0.199653 0.739402 0.814649 Rb\n0.251794 0.010837 0.438005 Rb\n0.199653 0.760598 0.314649 Rb\n0.748206 0.989163 0.561995 Rb\n0.699653 0.739402 0.685351 Rb\n0.699653 0.760598 0.185351 Rb\n0.300347 0.260598 0.314649 Rb\n0.751794 0.489163 0.561995 Rb\n0.251794 0.489163 0.938005 Rb\n0.214733 0.739042 0.563631 Fe\n0.214733 0.760958 0.063631 Fe\n0.285267 0.260958 0.063631 Fe\n0.754591 0.494433 0.811265 Fe\n0.245409 0.505567 0.188735 Fe\n0.245409 0.994433 0.688735 Fe\n0.285267 0.239042 0.563631 Fe\n0.785267 0.239042 0.936369 Fe\n0.745409 0.994433 0.811265 Fe\n0.785267 0.260958 0.436369 Fe\n0.754591 0.005567 0.311265 Fe\n0.714733 0.760958 0.436369 Fe\n0.745409 0.505567 0.311265 Fe\n0.254591 0.494433 0.688735 Fe\n0.714733 0.739042 0.936369 Fe\n0.254591 0.005567 0.188735 Fe\n0.806541 0.157648 0.348405 O\n0.057612 0.020460 0.780951 O\n0.693459 0.657648 0.348405 O\n0.832071 0.902446 0.395906 O\n0.917772 0.710480 0.518944 O\n0.667929 0.097554 0.895906 O\n0.582228 0.210480 0.518944 O\n0.942388 0.979540 0.219049 O\n0.693459 0.842352 0.848405 O\n0.917772 0.789520 0.018944 O\n0.942388 0.520460 0.719049 O\n0.193459 0.657648 0.151595 O\n0.167929 0.097554 0.604094 O\n0.557612 0.479540 0.219049 O\n0.582228 0.289520 0.018944 O\n0.832071 0.597554 0.895906 O\n0.167929 0.402446 0.104094 O\n0.442388 0.520460 0.780951 O\n0.417772 0.789520 0.481056 O\n0.057612 0.479540 0.280951 O\n0.417772 0.710480 0.981056 O\n0.442388 0.979540 0.280951 O\n0.332071 0.902446 0.104094 O\n0.667929 0.402446 0.395906 O\n0.306541 0.157648 0.151595 O\n0.306541 0.342352 0.651595 O\n0.332071 0.597554 0.604094 O\n0.193459 0.842352 0.651595 O\n0.082228 0.210480 0.981056 O\n0.806541 0.342352 0.848405 O\n0.082228 0.289520 0.481056 O\n0.557612 0.020460 0.719049 O\n",
"nsites": 64,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 4.038845600741674,
"density_atomic": 0.056135877169164586,
"volume": 1140.090851473417,
"volume_molar": 10.727793104314328,
"formula_full": "Rb16 Fe16 O32",
"formula_reduced": "RbFeO2",
"formula_anonymous": "ABC2",
"energy": -420.99949097,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:04.997000Z",
"spacegroup": 61
},
{
"id": "mp-12948",
"created_at": "2022-09-04T14:43:15.454409Z",
"structure_string": "Na2 Mg2 F6\n1.0\n1.520875 -5.061378 0.000000\n1.520875 5.061378 0.000000\n0.000000 0.000000 7.460340\nNa Mg F\n2 2 6\ndirect\n0.742943 0.257056 0.750000 Na\n0.257056 0.742943 0.250000 Na\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.626451 0.373549 0.443071 F\n0.373549 0.626451 0.943071 F\n0.626451 0.373549 0.056929 F\n0.373549 0.626451 0.556929 F\n0.071197 0.928803 0.750000 F\n0.928803 0.071197 0.250000 F\n",
"nsites": 10,
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"elements": [
"Na",
"Mg",
"F"
],
"chemical_system": "F-Mg-Na",
"density": 3.015579360953451,
"density_atomic": 0.08706609966708397,
"volume": 114.85526557681072,
"volume_molar": 6.916745763307368,
"formula_full": "Na2 Mg2 F6",
"formula_reduced": "NaMgF3",
"formula_anonymous": "ABC3",
"energy": -51.99965147,
"energy_per_atom": -5.199965147,
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"updated_at": "2021-11-28T01:36:16.212000Z",
"spacegroup": 63
},
{
"id": "mp-753520",
"created_at": "2022-09-04T14:43:11.147317Z",
"structure_string": "Li12 Bi4 S12\n1.0\n6.844509 0.000000 0.000000\n0.000000 7.820220 0.000000\n0.000000 0.000000 10.435825\nLi Bi S\n12 4 12\ndirect\n0.039996 0.067459 0.771146 Li\n0.342450 0.094153 0.316209 Li\n0.376647 0.247793 0.619646 Li\n0.876647 0.252207 0.119646 Li\n0.842450 0.405847 0.816209 Li\n0.539996 0.432541 0.271146 Li\n0.460004 0.567459 0.771146 Li\n0.157550 0.594153 0.316209 Li\n0.123353 0.747793 0.619646 Li\n0.623353 0.752207 0.119646 Li\n0.657550 0.905847 0.816209 Li\n0.960004 0.932541 0.271146 Li\n0.900776 0.283053 0.496568 Bi\n0.400776 0.216947 0.996568 Bi\n0.599224 0.783053 0.496568 Bi\n0.099224 0.716947 0.996568 Bi\n0.155352 0.037507 0.509487 S\n0.695717 0.148786 0.315930 S\n0.704241 0.173233 0.691838 S\n0.204241 0.326767 0.191838 S\n0.195717 0.351214 0.815930 S\n0.655352 0.462493 0.009487 S\n0.344648 0.537507 0.509487 S\n0.804283 0.648786 0.315930 S\n0.795759 0.673233 0.691838 S\n0.295759 0.826767 0.191838 S\n0.304283 0.851214 0.815930 S\n0.844648 0.962493 0.009487 S\n",
"nsites": 28,
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"elements": [
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"Bi",
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],
"chemical_system": "Bi-Li-S",
"density": 3.8764706472622974,
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"volume": 558.5834415967032,
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"formula_full": "Li12 Bi4 S12",
"formula_reduced": "Li3BiS3",
"formula_anonymous": "AB3C3",
"energy": -121.04897732000002,
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"updated_at": "2021-11-28T01:36:03.151000Z",
"spacegroup": 33
},
{
"id": "mp-15704",
"created_at": "2022-09-04T14:43:12.261766Z",
"structure_string": "Be2 Si2 N4\n1.0\n-2.036497 2.036497 4.082512\n2.036497 -2.036497 4.082512\n2.036497 2.036497 -4.082512\nBe Si N\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.129493 0.125000 0.504493 N\n0.620507 0.625000 0.495507 N\n0.875000 0.379493 0.004493 N\n0.375000 0.870507 0.995507 N\n",
"nsites": 8,
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"elements": [
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"N"
],
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"density": 3.1928535219439826,
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"volume": 67.72593517773845,
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