HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=10170",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=10168",
"results": [
{
"id": "mp-1221838",
"created_at": "2022-09-04T14:40:26.777408Z",
"structure_string": "Mn3 Cr2 O8\n1.0\n-4.333833 0.000000 -4.333833\n4.333833 -4.333833 0.000000\n-4.165465 -4.165465 -0.168368\nMn Cr O\n3 2 8\ndirect\n0.250000 0.375000 0.375000 Mn\n0.250000 0.875000 0.375000 Mn\n0.750000 0.375000 0.375000 Mn\n0.507473 0.753737 0.738790 Cr\n0.992527 0.996263 0.011210 Cr\n0.251786 0.125893 0.622320 O\n0.747012 0.113704 0.139284 O\n0.747012 0.633309 0.139284 O\n0.227407 0.113704 0.139284 O\n0.248214 0.624107 0.127680 O\n0.752988 0.636296 0.610716 O\n0.752988 0.116691 0.610716 O\n0.272593 0.636296 0.610716 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O",
"density": 4.29785345890419,
"density_atomic": 0.08479544328278305,
"volume": 153.31012489251924,
"volume_molar": 7.101962707968698,
"formula_full": "Mn3 Cr2 O8",
"formula_reduced": "Mn3Cr2O8",
"formula_anonymous": "A2B3C8",
"energy": -111.10696967,
"energy_per_atom": -8.546689974615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.60896967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.999978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.504000Z",
"spacegroup": 166
},
{
"id": "mp-777680",
"created_at": "2022-09-04T14:40:26.775343Z",
"structure_string": "Li8 V4 F20\n1.0\n9.737358 0.000000 0.000000\n0.000000 5.835891 0.000000\n0.000000 2.197824 7.520001\nLi V F\n8 4 20\ndirect\n0.805976 0.859386 0.482541 Li\n0.176813 0.666161 0.626531 Li\n0.694024 0.859386 0.982541 Li\n0.323187 0.666161 0.126531 Li\n0.676813 0.333839 0.873469 Li\n0.305976 0.140614 0.017459 Li\n0.823187 0.333839 0.373469 Li\n0.194024 0.140614 0.517459 Li\n0.493370 0.870175 0.710374 V\n0.006630 0.870175 0.210374 V\n0.993370 0.129825 0.789626 V\n0.506630 0.129825 0.289626 V\n0.124742 0.899284 0.746074 F\n0.384112 0.914605 0.905925 F\n0.375258 0.899284 0.246074 F\n0.115888 0.914605 0.405925 F\n0.608564 0.870050 0.492463 F\n0.616913 0.634948 0.875809 F\n0.368870 0.636415 0.675559 F\n0.891436 0.870050 0.992463 F\n0.883087 0.634948 0.375809 F\n0.868870 0.363585 0.824441 F\n0.131130 0.636415 0.175559 F\n0.116913 0.365052 0.624191 F\n0.108564 0.129950 0.007537 F\n0.631130 0.363585 0.324441 F\n0.383087 0.365052 0.124191 F\n0.391436 0.129950 0.507537 F\n0.884112 0.085395 0.594075 F\n0.624742 0.100716 0.753926 F\n0.615888 0.085395 0.094075 F\n0.875258 0.100716 0.253926 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.484058518917991,
"density_atomic": 0.07488309238845568,
"volume": 427.33277939431446,
"volume_molar": 8.042056715233093,
"formula_full": "Li8 V4 F20",
"formula_reduced": "Li2VF5",
"formula_anonymous": "AB2C5",
"energy": -190.82218221,
"energy_per_atom": -5.9631931940625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.78218221,
"band_gap": 2.447,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9997155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.606000Z",
"spacegroup": 14
},
{
"id": "mp-1042954",
"created_at": "2022-09-04T14:40:26.774759Z",
"structure_string": "Mg2 Sn2 Ge4 O12\n1.0\n5.160113 5.314121 0.000000\n-5.160113 5.314121 0.000000\n0.000000 1.572038 5.353321\nMg Sn Ge O\n2 2 4 12\ndirect\n0.742057 0.257943 0.250000 Mg\n0.257943 0.742057 0.750000 Mg\n0.124180 0.875820 0.250000 Sn\n0.875820 0.124180 0.750000 Sn\n0.610593 0.794975 0.249812 Ge\n0.205025 0.389407 0.250188 Ge\n0.389407 0.205025 0.750188 Ge\n0.794975 0.610593 0.749812 Ge\n0.705275 0.624324 0.468408 O\n0.375676 0.294725 0.031592 O\n0.294725 0.375676 0.531592 O\n0.624324 0.705275 0.968408 O\n0.810602 0.377523 0.894560 O\n0.622477 0.189398 0.605440 O\n0.189398 0.622477 0.105440 O\n0.377523 0.810602 0.394560 O\n0.719451 0.010679 0.164256 O\n0.989321 0.280549 0.335744 O\n0.280549 0.989321 0.835744 O\n0.010679 0.719451 0.664256 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Sn",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-O-Sn",
"density": 4.347061918873078,
"density_atomic": 0.06812179189265269,
"volume": 293.5918073252725,
"volume_molar": 8.840255948477951,
"formula_full": "Mg2 Sn2 Ge4 O12",
"formula_reduced": "MgSn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -132.13033531000002,
"energy_per_atom": -6.606516765500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.88633531,
"band_gap": 2.0280000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.991000Z",
"spacegroup": 15
},
{
"id": "mp-765337",
"created_at": "2022-09-04T14:40:26.773464Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n9.716975 0.000000 0.000000\n-4.857272 8.487808 0.000000\n-0.021231 -0.273411 14.345751\nLi V P O\n6 6 16 58\ndirect\n0.773836 0.678973 0.943572 Li\n0.097313 0.329610 0.553848 Li\n0.905140 0.671673 0.435113 Li\n0.337789 0.673277 0.904311 Li\n0.047577 0.062955 0.010894 Li\n0.996159 0.999511 0.482776 Li\n0.994118 0.429069 0.753409 V\n0.002811 0.562704 0.244281 V\n0.437247 0.432305 0.249749 V\n0.563412 0.566307 0.746350 V\n0.436209 0.000209 0.746812 V\n0.560216 0.001884 0.253573 V\n0.298703 0.079766 0.158930 P\n0.302845 0.219322 0.662435 P\n0.780212 0.077165 0.658240 P\n0.663397 0.335671 0.868135 P\n0.671907 0.340301 0.367173 P\n0.908664 0.212826 0.162785 P\n0.089564 0.313839 0.341598 P\n0.772987 0.684957 0.155256 P\n0.223420 0.311035 0.845160 P\n0.912641 0.682464 0.655051 P\n0.091492 0.781677 0.833851 P\n0.325964 0.660901 0.632430 P\n0.337629 0.665841 0.134997 P\n0.214562 0.915963 0.341879 P\n0.696087 0.783131 0.335185 P\n0.695028 0.914757 0.842411 P\n0.182150 0.986491 0.425234 O\n0.345110 0.085565 0.667263 O\n0.204317 0.222536 0.930624 O\n0.346883 0.257434 0.171589 O\n0.453363 0.071431 0.171905 O\n0.525792 0.184607 0.820045 O\n0.617177 0.070949 0.672292 O\n0.790127 0.991491 0.926986 O\n0.732338 0.084359 0.171160 O\n0.523801 0.338912 0.321474 O\n0.460143 0.379942 0.675348 O\n0.666350 0.190035 0.322229 O\n0.671687 0.343017 0.971007 O\n0.675596 0.349547 0.470525 O\n0.816996 0.343614 0.822699 O\n0.617136 0.529195 0.171271 O\n0.659145 0.480632 0.826130 O\n0.913745 0.255276 0.668513 O\n0.989979 0.195754 0.257558 O\n0.025461 0.235637 0.432302 O\n0.988607 0.194116 0.080556 O\n0.918034 0.377448 0.172459 O\n0.819962 0.487700 0.325298 O\n0.085685 0.349795 0.831121 O\n0.913070 0.528120 0.675637 O\n0.740743 0.652457 0.673389 O\n0.204812 0.200732 0.755936 O\n0.204725 0.209050 0.580464 O\n0.808447 0.805225 0.412885 O\n0.263197 0.351442 0.328826 O\n0.084379 0.467589 0.326397 O\n0.912503 0.650965 0.170931 O\n0.179412 0.510706 0.672239 O\n0.102146 0.626706 0.826056 O\n0.993784 0.784565 0.912119 O\n0.969653 0.750306 0.562165 O\n0.019772 0.803395 0.736261 O\n0.086588 0.736789 0.333201 O\n0.340026 0.521602 0.176452 O\n0.376798 0.472684 0.832516 O\n0.184027 0.661594 0.175011 O\n0.336527 0.665854 0.031130 O\n0.329286 0.655516 0.529431 O\n0.329768 0.809874 0.678437 O\n0.544611 0.620075 0.328758 O\n0.474766 0.662058 0.681021 O\n0.265663 0.919392 0.833791 O\n0.193106 0.994967 0.249160 O\n0.201891 0.010058 0.073493 O\n0.380986 0.929887 0.332839 O\n0.478258 0.814729 0.180671 O\n0.531514 0.908267 0.828800 O\n0.652775 0.736161 0.836118 O\n0.785722 0.758971 0.063971 O\n0.790427 0.804684 0.237884 O\n0.650558 0.914458 0.333702 O\n0.805069 0.007173 0.572593 O\n0.797410 0.993467 0.749871 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4852987197184624,
"density_atomic": 0.07268562521206337,
"volume": 1183.1775505691996,
"volume_molar": 8.285188085581092,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -656.6485138300001,
"energy_per_atom": -7.635447835232559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -606.60251383,
"band_gap": 0.7877,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.741000Z",
"spacegroup": 1
},
{
"id": "mp-707096",
"created_at": "2022-09-04T14:40:26.770921Z",
"structure_string": "K4 P6 H14 O18\n1.0\n-7.652771 0.000000 0.000000\n-0.231117 -8.753962 0.000000\n3.581623 1.635871 8.278700\nK P H O\n4 6 14 18\ndirect\n0.683991 0.596175 0.902591 K\n0.316009 0.403825 0.097409 K\n0.591231 0.076198 0.849714 K\n0.408769 0.923802 0.150286 K\n0.060442 0.102550 0.776318 P\n0.939558 0.897450 0.223682 P\n0.531126 0.720439 0.482271 P\n0.468874 0.279561 0.517729 P\n0.145101 0.635443 0.758367 P\n0.854899 0.364557 0.241633 P\n0.072502 0.088432 0.624848 H\n0.927498 0.911568 0.375152 H\n0.853337 0.292396 0.747725 H\n0.146663 0.707604 0.252275 H\n0.658252 0.598724 0.497364 H\n0.341748 0.401276 0.502636 H\n0.747028 0.916355 0.572732 H\n0.252972 0.083645 0.427268 H\n0.070655 0.485942 0.669185 H\n0.929345 0.514058 0.330815 H\n0.952550 0.823106 0.789093 H\n0.047450 0.176894 0.210907 H\n0.301903 0.740914 0.634865 H\n0.698097 0.259086 0.365135 H\n0.254419 0.092608 0.906044 O\n0.745581 0.907392 0.093956 O\n0.901897 0.984791 0.755241 O\n0.098103 0.015209 0.244759 O\n0.993529 0.275310 0.810742 O\n0.006471 0.724690 0.189258 O\n0.363061 0.674918 0.322282 O\n0.636939 0.325082 0.677718 O\n0.494295 0.757317 0.637051 O\n0.505705 0.242683 0.362949 O\n0.644657 0.862794 0.466562 O\n0.355343 0.137206 0.533438 O\n0.322691 0.624964 0.903995 O\n0.677309 0.375036 0.096005 O\n0.974367 0.706991 0.799363 O\n0.025633 0.293009 0.200637 O\n0.166862 0.731315 0.637176 O\n0.833138 0.268685 0.362824 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 1.9291947136002454,
"density_atomic": 0.07572927000717464,
"volume": 554.6072211711653,
"volume_molar": 7.952197029536213,
"formula_full": "K4 P6 H14 O18",
"formula_reduced": "K2P3H7O9",
"formula_anonymous": "A2B3C7D9",
"energy": -250.72220252,
"energy_per_atom": -5.96957625047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -238.35620252,
"band_gap": 6.462,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025686,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.517000Z",
"spacegroup": 2
},
{
"id": "mp-1191434",
"created_at": "2022-09-04T14:40:26.767049Z",
"structure_string": "Er4 Fe4 B16\n1.0\n3.354972 0.000000 0.000000\n0.000000 5.857619 0.000000\n0.000000 0.000000 11.319071\nEr Fe B\n4 4 16\ndirect\n0.000000 0.627437 0.349675 Er\n0.000000 0.372563 0.650325 Er\n0.000000 0.127437 0.150325 Er\n0.000000 0.872563 0.849675 Er\n0.000000 0.634421 0.088883 Fe\n0.000000 0.365579 0.911117 Fe\n0.000000 0.134421 0.411117 Fe\n0.000000 0.865579 0.588883 Fe\n0.500000 0.783620 0.183832 B\n0.500000 0.216380 0.816168 B\n0.500000 0.283620 0.316168 B\n0.500000 0.716380 0.683832 B\n0.500000 0.861685 0.031709 B\n0.500000 0.138315 0.968291 B\n0.500000 0.361685 0.468291 B\n0.500000 0.638315 0.531709 B\n0.500000 0.889297 0.453900 B\n0.500000 0.110703 0.546100 B\n0.500000 0.389297 0.046100 B\n0.500000 0.610703 0.953900 B\n0.500000 0.976653 0.309726 B\n0.500000 0.023347 0.690274 B\n0.500000 0.476653 0.190274 B\n0.500000 0.523347 0.809726 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Fe",
"B"
],
"chemical_system": "B-Er-Fe",
"density": 7.953123464898021,
"density_atomic": 0.10789229655298986,
"volume": 222.444055477239,
"volume_molar": 5.581622555454926,
"formula_full": "Er4 Fe4 B16",
"formula_reduced": "ErFeB4",
"formula_anonymous": "ABC4",
"energy": -174.36615683,
"energy_per_atom": -7.265256534583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.36615683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0613619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.436000Z",
"spacegroup": 55
},
{
"id": "mp-1211662",
"created_at": "2022-09-04T14:40:26.765585Z",
"structure_string": "K6 Tb2 F12\n1.0\n6.647791 0.000000 0.000000\n0.000000 6.434534 0.000000\n0.000000 6.365161 9.155987\nK Tb F\n6 2 12\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.048823 0.733292 0.753868 K\n0.951177 0.266708 0.246132 K\n0.548823 0.266708 0.746132 K\n0.451177 0.733292 0.253868 K\n0.500000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.774653 0.765049 0.567595 F\n0.225347 0.234951 0.432405 F\n0.274653 0.234951 0.932405 F\n0.725347 0.765049 0.067595 F\n0.444697 0.885552 0.725372 F\n0.555303 0.114448 0.274628 F\n0.944697 0.114448 0.774628 F\n0.055303 0.885552 0.225372 F\n0.325978 0.667812 0.550676 F\n0.674022 0.332188 0.449324 F\n0.825978 0.332188 0.949324 F\n0.174022 0.667812 0.050676 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Tb",
"F"
],
"chemical_system": "F-K-Tb",
"density": 3.308861645870356,
"density_atomic": 0.051065827171090344,
"volume": 391.6513470543077,
"volume_molar": 11.79289770402326,
"formula_full": "K6 Tb2 F12",
"formula_reduced": "K3TbF6",
"formula_anonymous": "AB3C6",
"energy": -110.85597493,
"energy_per_atom": -5.5427987465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.31197493,
"band_gap": 6.6915,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005396,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.367000Z",
"spacegroup": 14
},
{
"id": "mp-735051",
"created_at": "2022-09-04T14:40:26.765119Z",
"structure_string": "Gd2 H36 I6 O18\n1.0\n8.166043 0.000000 0.000000\n0.000000 9.049091 0.000000\n0.000000 0.000000 11.690506\nGd H I O\n2 36 6 18\ndirect\n0.000000 0.660614 0.500000 Gd\n0.500000 0.339386 0.000000 Gd\n0.721879 0.477199 0.596307 H\n0.721879 0.477199 0.403693 H\n0.278121 0.477199 0.596307 H\n0.278121 0.477199 0.403693 H\n0.778121 0.522801 0.903693 H\n0.778121 0.522801 0.096307 H\n0.221879 0.522801 0.903693 H\n0.221879 0.522801 0.096307 H\n0.706357 0.626435 0.663395 H\n0.706357 0.626435 0.336605 H\n0.293643 0.626435 0.663395 H\n0.293643 0.626435 0.336605 H\n0.793643 0.373565 0.836605 H\n0.793643 0.373565 0.163395 H\n0.206357 0.373565 0.836605 H\n0.206357 0.373565 0.163395 H\n0.000000 0.321635 0.431923 H\n0.000000 0.321635 0.568077 H\n0.500000 0.678365 0.068077 H\n0.500000 0.678365 0.931923 H\n0.274279 0.871653 0.433368 H\n0.274279 0.871653 0.566632 H\n0.725721 0.871653 0.433368 H\n0.725721 0.871653 0.566632 H\n0.225721 0.128347 0.066632 H\n0.225721 0.128347 0.933368 H\n0.774279 0.128347 0.066632 H\n0.774279 0.128347 0.933368 H\n0.000000 0.899874 0.704465 H\n0.000000 0.899874 0.295535 H\n0.500000 0.100126 0.795535 H\n0.500000 0.100126 0.204465 H\n0.000000 0.745089 0.763806 H\n0.000000 0.745089 0.236194 H\n0.500000 0.254911 0.736194 H\n0.500000 0.254911 0.263806 H\n0.500000 0.824310 0.735574 I\n0.500000 0.824310 0.264426 I\n0.000000 0.175690 0.764426 I\n0.000000 0.175690 0.235574 I\n0.000000 0.694864 0.000000 I\n0.500000 0.305136 0.500000 I\n0.786530 0.561139 0.625479 O\n0.786530 0.561139 0.374521 O\n0.213470 0.561139 0.625479 O\n0.213470 0.561139 0.374521 O\n0.713470 0.438861 0.874521 O\n0.713470 0.438861 0.125479 O\n0.286530 0.438861 0.874521 O\n0.286530 0.438861 0.125479 O\n0.000000 0.385717 0.500000 O\n0.500000 0.614283 0.000000 O\n0.201630 0.861918 0.500000 O\n0.798370 0.861918 0.500000 O\n0.298370 0.138082 0.000000 O\n0.701630 0.138082 0.000000 O\n0.000000 0.792815 0.688572 O\n0.000000 0.792815 0.311428 O\n0.500000 0.207185 0.811428 O\n0.500000 0.207185 0.188572 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
"Gd",
"H",
"I",
"O"
],
"chemical_system": "Gd-H-I-O",
"density": 2.6914717172449403,
"density_atomic": 0.071769804346737,
"volume": 863.8730530804187,
"volume_molar": 8.39091149100199,
"formula_full": "Gd2 H36 I6 O18",
"formula_reduced": "GdH18(IO3)3",
"formula_anonymous": "AB3C9D18",
"energy": -331.98804677,
"energy_per_atom": -5.354645915645161,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.34804677,
"band_gap": 2.0874,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.612000Z",
"spacegroup": 59
},
{
"id": "mp-680679",
"created_at": "2022-09-04T14:40:26.763361Z",
"structure_string": "K2 Ho4 Cu4 S9\n1.0\n3.922829 0.000000 0.000000\n-1.940676 6.841988 0.000000\n-1.944035 -1.526633 14.883356\nK Ho Cu S\n2 4 4 9\ndirect\n0.735936 0.705654 0.769205 K\n0.250882 0.285511 0.228064 K\n0.607196 0.250816 0.944337 Ho\n0.627698 0.858684 0.393814 Ho\n0.397931 0.742639 0.055121 Ho\n0.372134 0.136498 0.604007 Ho\n0.986702 0.734346 0.230112 Cu\n0.110965 0.680688 0.543659 Cu\n0.016120 0.265568 0.769457 Cu\n0.883718 0.318421 0.459419 Cu\n0.569155 0.920672 0.220564 S\n0.431701 0.077366 0.777350 S\n0.011890 0.406138 0.626645 S\n0.985007 0.590563 0.372084 S\n0.799824 0.501748 0.102225 S\n0.711589 0.849993 0.575155 S\n0.006961 0.997743 0.999811 S\n0.202588 0.492216 0.897885 S\n0.281752 0.147155 0.423522 S\n",
"nsites": 19,
"nelements": 4,
"elements": [
"K",
"Ho",
"Cu",
"S"
],
"chemical_system": "Cu-Ho-K-S",
"density": 5.32365008914602,
"density_atomic": 0.04756319779688521,
"volume": 399.46851515615,
"volume_molar": 12.661345407676466,
"formula_full": "K2 Ho4 Cu4 S9",
"formula_reduced": "K2Ho4Cu4S9",
"formula_anonymous": "A2B4C4D9",
"energy": -105.67177826,
"energy_per_atom": -5.56167254,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.14477826,
"band_gap": 0.8684000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030392,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.727000Z",
"spacegroup": 8
},
{
"id": "mp-1185249",
"created_at": "2022-09-04T14:40:26.762841Z",
"structure_string": "Li1 U1\n1.0\n2.845564 0.000041 0.000000\n-1.422746 2.464348 0.000000\n0.000000 -0.000001 5.626599\nLi U\n1 1\ndirect\n0.666663 0.333338 0.750000 Li\n0.333336 0.666663 0.250000 U\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"U"
],
"chemical_system": "Li-U",
"density": 10.309601263736626,
"density_atomic": 0.050688568249995604,
"volume": 39.456628369063736,
"volume_molar": 11.880668497675552,
"formula_full": "Li1 U1",
"formula_reduced": "LiU",
"formula_anonymous": "AB",
"energy": -12.51961306,
"energy_per_atom": -6.25980653,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.51961306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0455802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.840000Z",
"spacegroup": 187
},
{
"id": "mp-1008734",
"created_at": "2022-09-04T14:40:26.757212Z",
"structure_string": "Th1 H2\n1.0\n0.000000 2.744334 2.744334\n2.744334 0.000000 2.744334\n2.744334 2.744334 0.000000\nTh H\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"H"
],
"chemical_system": "H-Th",
"density": 9.402084705832241,
"density_atomic": 0.07257388304020668,
"volume": 41.3371845948765,
"volume_molar": 8.297944808414996,
"formula_full": "Th1 H2",
"formula_reduced": "ThH2",
"formula_anonymous": "AB2",
"energy": -15.95826754,
"energy_per_atom": -5.3194225133333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.60026754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.639000Z",
"spacegroup": 225
},
{
"id": "mp-1223013",
"created_at": "2022-09-04T14:40:26.754571Z",
"structure_string": "La1 Mn1 Fe3 Bi3 O12\n1.0\n2.773801 4.946807 0.000000\n-2.773801 4.946807 0.000000\n0.000000 3.483853 9.154674\nLa Mn Fe Bi O\n1 1 3 3 12\ndirect\n0.373038 0.373038 0.378855 La\n0.749289 0.749289 0.249493 Mn\n0.497760 0.497760 0.998723 Fe\n0.002832 0.002832 0.500538 Fe\n0.249977 0.249977 0.749701 Fe\n0.644121 0.644121 0.611070 Bi\n0.137756 0.137756 0.111021 Bi\n0.858648 0.858648 0.883945 Bi\n0.078705 0.078705 0.670953 O\n0.566710 0.566710 0.168893 O\n0.422525 0.422525 0.829693 O\n0.933055 0.933055 0.330200 O\n0.090103 0.598885 0.600108 O\n0.591546 0.089752 0.099757 O\n0.902702 0.405373 0.905389 O\n0.412495 0.894730 0.403204 O\n0.598885 0.090103 0.600108 O\n0.089752 0.591546 0.099757 O\n0.405373 0.902702 0.905389 O\n0.894730 0.412495 0.403204 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mn",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-La-Mn-O",
"density": 7.80140749419366,
"density_atomic": 0.07960802495157615,
"volume": 251.23095331363353,
"volume_molar": 7.564740820618447,
"formula_full": "La1 Mn1 Fe3 Bi3 O12",
"formula_reduced": "LaMnFe3(BiO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -149.38942889,
"energy_per_atom": -7.4694714445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.70942889,
"band_gap": 0.7831999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.9999988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.777000Z",
"spacegroup": 8
}
]
}