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=-elements&page=10379",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10377",
"results": [
{
"id": "mp-1096329",
"created_at": "2022-09-04T14:41:11.272961Z",
"structure_string": "Ag2 Pd1 Au1\n1.0\n-5.298592 5.582214 7.875646\n5.298592 -5.582214 7.875646\n5.298592 5.582214 -7.875646\nAg Pd Au\n2 1 1\ndirect\n0.000000 0.251149 0.251149 Ag\n0.000000 0.748851 0.748851 Ag\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Au"
],
"chemical_system": "Ag-Au-Pd",
"density": 0.9251373251805958,
"density_atomic": 0.004292861251911021,
"volume": 931.7794741722319,
"volume_molar": 140.2826787685991,
"formula_full": "Ag2 Pd1 Au1",
"formula_reduced": "Ag2PdAu",
"formula_anonymous": "ABC2",
"energy": -7.34292507,
"energy_per_atom": -1.8357312675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.34292507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8189102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.909000Z",
"spacegroup": 71
},
{
"id": "mp-1229031",
"created_at": "2022-09-04T14:42:17.525203Z",
"structure_string": "Ag1 Pd2 Au1\n1.0\n9.360150 -1.437397 0.000000\n9.360150 1.437397 0.000000\n9.139415 0.000000 2.479840\nAg Pd Au\n1 2 1\ndirect\n0.998031 0.998031 0.998031 Ag\n0.501829 0.501829 0.501829 Pd\n0.248508 0.248508 0.248508 Pd\n0.751632 0.751632 0.751632 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Au"
],
"chemical_system": "Ag-Au-Pd",
"density": 12.88228481085152,
"density_atomic": 0.059944148035669435,
"volume": 66.72878222607855,
"volume_molar": 10.046252982720778,
"formula_full": "Ag1 Pd2 Au1",
"formula_reduced": "AgPd2Au",
"formula_anonymous": "ABC2",
"energy": -16.68869921,
"energy_per_atom": -4.1721748025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.68869921,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.108000Z",
"spacegroup": 160
},
{
"id": "mp-1183167",
"created_at": "2022-09-04T14:40:55.461187Z",
"structure_string": "Ag1 Pd1 Au2\n1.0\n0.000000 3.270925 3.270925\n3.270925 0.000000 3.270925\n3.270925 3.270925 0.000000\nAg Pd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Au"
],
"chemical_system": "Ag-Au-Pd",
"density": 14.430088530164321,
"density_atomic": 0.05715026350354175,
"volume": 69.99092838394542,
"volume_molar": 10.537380566279964,
"formula_full": "Ag1 Pd1 Au2",
"formula_reduced": "AgPdAu2",
"formula_anonymous": "ABC2",
"energy": -14.83200661,
"energy_per_atom": -3.7080016525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.83200661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.742000Z",
"spacegroup": 225
},
{
"id": "mp-531125",
"created_at": "2022-09-04T14:44:19.555636Z",
"structure_string": "Ag28 Pb12 O36\n1.0\n8.865848 0.000000 0.000000\n-0.672220 8.858498 0.000000\n-2.128522 -2.226074 15.642281\nAg Pb O\n28 12 36\ndirect\n0.583388 0.584570 0.835364 Ag\n0.247434 0.247768 0.498548 Ag\n0.334495 0.333249 0.835297 Ag\n0.162776 0.164228 0.665201 Ag\n0.081786 0.083333 0.833119 Ag\n0.918214 0.916667 0.166881 Ag\n0.533947 0.300992 0.666095 Ag\n0.801376 0.034611 0.663854 Ag\n0.837224 0.835772 0.334799 Ag\n0.752566 0.752232 0.501452 Ag\n0.834403 0.833417 0.833419 Ag\n0.665505 0.666751 0.164703 Ag\n0.466053 0.699008 0.333905 Ag\n0.666404 0.668701 0.666346 Ag\n0.198624 0.965389 0.336146 Ag\n0.500000 0.500000 0.500000 Ag\n0.416612 0.415430 0.164636 Ag\n0.333596 0.331299 0.333654 Ag\n0.031883 0.797593 0.668147 Ag\n0.132445 0.365466 0.999730 Ag\n0.867555 0.634534 0.000270 Ag\n0.300575 0.530863 0.667104 Ag\n0.165597 0.166583 0.166581 Ag\n0.968117 0.202407 0.331853 Ag\n0.000000 0.000000 0.000000 Ag\n0.699425 0.469137 0.332896 Ag\n0.629053 0.863026 0.999948 Ag\n0.370947 0.136974 0.000052 Ag\n0.944078 0.443999 0.778735 Pb\n0.718530 0.223746 0.891036 Pb\n0.616729 0.110618 0.446753 Pb\n0.443438 0.944645 0.776957 Pb\n0.383271 0.889382 0.553247 Pb\n0.281470 0.776254 0.108964 Pb\n0.227613 0.721658 0.891394 Pb\n0.111196 0.615756 0.445253 Pb\n0.055922 0.556001 0.221265 Pb\n0.888804 0.384244 0.554747 Pb\n0.772387 0.278342 0.108606 Pb\n0.556562 0.055355 0.223043 Pb\n0.160131 0.466888 0.875578 O\n0.073762 0.381857 0.667152 O\n0.778005 0.470480 0.875542 O\n0.884160 0.196877 0.793630 O\n0.821915 0.137478 0.543195 O\n0.744071 0.050626 0.334290 O\n0.592804 0.278611 0.999432 O\n0.507251 0.199761 0.791674 O\n0.443962 0.136433 0.540465 O\n0.658639 0.966958 0.873895 O\n0.556038 0.863567 0.459535 O\n0.492749 0.800239 0.208326 O\n0.571071 0.884206 0.665317 O\n0.407196 0.721389 0.000568 O\n0.255929 0.949374 0.665710 O\n0.278342 0.969819 0.873762 O\n0.178085 0.862522 0.456805 O\n0.115840 0.803123 0.206370 O\n0.388392 0.696850 0.792289 O\n0.326024 0.632620 0.542656 O\n0.221995 0.529520 0.124458 O\n0.240009 0.547315 0.333414 O\n0.090885 0.784363 0.999783 O\n0.926238 0.618143 0.332848 O\n0.010993 0.698768 0.794425 O\n0.839869 0.533112 0.124422 O\n0.945454 0.634840 0.541929 O\n0.054546 0.365160 0.458071 O\n0.989007 0.301232 0.205575 O\n0.909115 0.215637 0.000217 O\n0.759991 0.452685 0.666586 O\n0.673976 0.367380 0.457344 O\n0.611608 0.303150 0.207711 O\n0.721658 0.030181 0.126238 O\n0.428929 0.115794 0.334683 O\n0.341361 0.033042 0.126105 O\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.221748392782349,
"density_atomic": 0.06186330757081352,
"volume": 1228.5149789801414,
"volume_molar": 9.73459227524586,
"formula_full": "Ag28 Pb12 O36",
"formula_reduced": "Ag7(PbO3)3",
"formula_anonymous": "A3B7C9",
"energy": -364.03631203,
"energy_per_atom": -4.789951474078947,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -339.30431203,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.583000Z",
"spacegroup": 2
},
{
"id": "mp-676840",
"created_at": "2022-09-04T14:39:35.309381Z",
"structure_string": "Ag26 Pb12 O36\n1.0\n6.002268 0.000000 0.000000\n-0.068819 10.397572 0.000000\n-0.014284 -0.090441 19.466112\nAg Pb O\n26 12 36\ndirect\n0.001340 0.998410 0.411180 Ag\n0.994351 0.006076 0.744380 Ag\n0.250703 0.749318 0.000261 Ag\n0.486035 0.499791 0.254972 Ag\n0.493707 0.505893 0.744243 Ag\n0.752096 0.750209 0.000741 Ag\n0.749128 0.747348 0.334711 Ag\n0.750834 0.750493 0.666381 Ag\n0.000065 0.499690 0.999065 Ag\n0.999990 0.499955 0.666731 Ag\n0.002472 0.999859 0.255323 Ag\n0.007501 0.993977 0.587828 Ag\n0.997595 0.001629 0.919901 Ag\n0.249706 0.746709 0.332614 Ag\n0.251235 0.250548 0.999447 Ag\n0.248755 0.250170 0.665944 Ag\n0.249604 0.253070 0.333532 Ag\n0.498189 0.500141 0.077788 Ag\n0.508421 0.493739 0.588060 Ag\n0.514091 0.498447 0.412695 Ag\n0.499373 0.501533 0.922042 Ag\n0.496689 0.999626 0.000107 Ag\n0.499248 0.000334 0.334394 Ag\n0.499516 0.000171 0.666519 Ag\n0.750005 0.253039 0.333868 Ag\n0.751637 0.249574 0.001512 Ag\n0.492598 0.832325 0.502216 Pb\n0.504689 0.834839 0.164990 Pb\n0.497923 0.830394 0.831387 Pb\n0.998776 0.664696 0.167881 Pb\n0.005223 0.666613 0.831039 Pb\n0.000226 0.665898 0.500306 Pb\n0.000099 0.335351 0.167967 Pb\n0.992832 0.337800 0.500418 Pb\n0.997807 0.330028 0.830922 Pb\n0.502867 0.165044 0.164977 Pb\n0.500648 0.171016 0.502420 Pb\n0.505249 0.166318 0.831330 Pb\n0.311142 0.687573 0.103095 O\n0.312720 0.686855 0.771074 O\n0.313318 0.685102 0.434836 O\n0.625830 0.001421 0.564215 O\n0.625560 0.000694 0.231127 O\n0.619867 0.997867 0.896594 O\n0.685026 0.687350 0.231571 O\n0.684211 0.688030 0.564146 O\n0.694555 0.689297 0.896359 O\n0.812717 0.805021 0.104300 O\n0.805284 0.812278 0.437673 O\n0.814924 0.812597 0.769170 O\n0.812171 0.193958 0.104436 O\n0.811543 0.187117 0.435595 O\n0.811750 0.186623 0.770859 O\n0.873675 0.499301 0.101798 O\n0.877823 0.503000 0.438661 O\n0.872338 0.498265 0.769078 O\n0.122865 0.500781 0.227964 O\n0.130146 0.501598 0.565317 O\n0.122056 0.497776 0.895415 O\n0.192375 0.812546 0.230073 O\n0.182675 0.811020 0.560984 O\n0.187337 0.813220 0.897864 O\n0.192106 0.188449 0.230143 O\n0.181200 0.189143 0.563063 O\n0.193140 0.188133 0.895769 O\n0.311355 0.311406 0.103051 O\n0.307171 0.313909 0.437025 O\n0.315216 0.312054 0.768966 O\n0.382950 0.999190 0.103045 O\n0.377504 0.002547 0.438210 O\n0.373573 0.998104 0.769049 O\n0.685026 0.313686 0.231513 O\n0.688634 0.312069 0.562827 O\n0.688992 0.311952 0.898408 O\n",
"nsites": 74,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.019274249177183,
"density_atomic": 0.060912325866682264,
"volume": 1214.8608503632336,
"volume_molar": 9.88657168202796,
"formula_full": "Ag26 Pb12 O36",
"formula_reduced": "Ag13(PbO3)6",
"formula_anonymous": "A6B13C18",
"energy": -357.49876941,
"energy_per_atom": -4.831064451486487,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -332.76676941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.744000Z",
"spacegroup": 1
},
{
"id": "mp-675327",
"created_at": "2022-09-04T14:45:21.791689Z",
"structure_string": "Ag18 Pb8 O24\n1.0\n10.441992 0.000000 0.000000\n0.000000 8.828375 0.000000\n0.000000 8.143246 8.823128\nAg Pb O\n18 8 24\ndirect\n0.747837 0.002591 0.622472 Ag\n0.000000 0.000000 0.500000 Ag\n0.743948 0.232163 0.259918 Ag\n0.252163 0.997409 0.377528 Ag\n0.999978 0.000088 0.248434 Ag\n0.499978 0.999912 0.251566 Ag\n0.256052 0.767837 0.740082 Ag\n0.752163 0.002591 0.122472 Ag\n0.250391 0.240445 0.005351 Ag\n0.500000 0.000000 0.000000 Ag\n0.247837 0.997409 0.877528 Ag\n0.756052 0.232163 0.759918 Ag\n0.750391 0.759555 0.494649 Ag\n0.000022 0.999912 0.751566 Ag\n0.500022 0.000088 0.748434 Ag\n0.243948 0.767837 0.240082 Ag\n0.249609 0.240445 0.505351 Ag\n0.749609 0.759555 0.994649 Ag\n0.083645 0.504818 0.124009 Pb\n0.916355 0.495182 0.875991 Pb\n0.580630 0.506474 0.869392 Pb\n0.416355 0.504818 0.624009 Pb\n0.080630 0.493526 0.630608 Pb\n0.919370 0.506474 0.369392 Pb\n0.583645 0.495182 0.375991 Pb\n0.419370 0.493526 0.130608 Pb\n0.250849 0.306574 0.283462 O\n0.560701 0.691329 0.935286 O\n0.937883 0.690719 0.933262 O\n0.062117 0.309281 0.066738 O\n0.439299 0.308671 0.064714 O\n0.747621 0.312402 0.029423 O\n0.749151 0.693426 0.716538 O\n0.063713 0.692120 0.686041 O\n0.435740 0.687201 0.688632 O\n0.563713 0.307880 0.813959 O\n0.935740 0.312799 0.811368 O\n0.249151 0.306574 0.783462 O\n0.247621 0.687598 0.470577 O\n0.562117 0.690719 0.433262 O\n0.939299 0.691329 0.435286 O\n0.060701 0.308671 0.564714 O\n0.437883 0.309281 0.566738 O\n0.752379 0.312402 0.529423 O\n0.750849 0.693426 0.216538 O\n0.064260 0.687201 0.188632 O\n0.436287 0.692120 0.186041 O\n0.564260 0.312799 0.311368 O\n0.936287 0.307880 0.313959 O\n0.252379 0.687598 0.970577 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.131973258365667,
"density_atomic": 0.061472842622832154,
"volume": 813.3672995533327,
"volume_molar": 9.79642473498251,
"formula_full": "Ag18 Pb8 O24",
"formula_reduced": "Ag9(PbO3)4",
"formula_anonymous": "A4B9C12",
"energy": -240.50641984,
"energy_per_atom": -4.8101283968,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.01841984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015706,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.577000Z",
"spacegroup": 14
},
{
"id": "mp-997021",
"created_at": "2022-09-04T14:45:18.065458Z",
"structure_string": "Ag2 Pb2 O4\n1.0\n3.571676 0.000000 0.000000\n0.000000 6.478030 0.000000\n0.000000 2.404691 6.408123\nAg Pb O\n2 2 4\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.580837 0.175454 O\n0.000000 0.419163 0.824546 O\n0.500000 0.144738 0.175198 O\n0.500000 0.855262 0.824802 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 7.7740363204534795,
"density_atomic": 0.05395654557915566,
"volume": 148.26746067840446,
"volume_molar": 11.161093979163958,
"formula_full": "Ag2 Pb2 O4",
"formula_reduced": "AgPbO2",
"formula_anonymous": "ABC2",
"energy": -40.77170257,
"energy_per_atom": -5.09646282125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.02370257,
"band_gap": 0.1427999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.833000Z",
"spacegroup": 10
},
{
"id": "mp-997019",
"created_at": "2022-09-04T14:48:13.445726Z",
"structure_string": "Ag2 Pb2 O4\n1.0\n1.780265 6.519733 0.000000\n-1.780265 6.519733 0.000000\n0.000000 0.950972 6.430624\nAg Pb O\n2 2 4\ndirect\n0.749680 0.749680 0.195327 Ag\n0.250320 0.250320 0.804673 Ag\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.912360 0.912360 0.170379 O\n0.412396 0.412396 0.737937 O\n0.587604 0.587604 0.262063 O\n0.087640 0.087640 0.829621 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 7.721378428408064,
"density_atomic": 0.053591067745616935,
"volume": 149.2786081063723,
"volume_molar": 11.23720988091814,
"formula_full": "Ag2 Pb2 O4",
"formula_reduced": "AgPbO2",
"formula_anonymous": "ABC2",
"energy": -40.8608677,
"energy_per_atom": -5.1076084625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.1128677,
"band_gap": 0.0334000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.205000Z",
"spacegroup": 12
},
{
"id": "mp-757612",
"created_at": "2022-09-04T14:42:49.838968Z",
"structure_string": "Ag14 Pb6 O18\n1.0\n5.214310 7.164526 0.000000\n-5.214310 7.164526 0.000000\n0.000000 3.364750 8.250303\nAg Pb O\n14 6 18\ndirect\n0.500000 0.000000 0.000000 Ag\n0.664699 0.168862 0.666063 Ag\n0.166681 0.166681 0.166657 Ag\n0.335301 0.831138 0.333937 Ag\n0.254383 0.254383 0.754281 Ag\n0.078350 0.078350 0.578296 Ag\n0.921650 0.921650 0.421704 Ag\n0.745617 0.745617 0.245719 Ag\n0.584719 0.584719 0.093584 Ag\n0.415281 0.415281 0.906416 Ag\n0.833319 0.833319 0.833343 Ag\n0.000000 0.500000 0.000000 Ag\n0.168862 0.664699 0.666063 Ag\n0.831138 0.335301 0.333937 Ag\n0.499140 0.172143 0.334738 Pb\n0.832436 0.167564 0.000000 Pb\n0.500860 0.827857 0.665262 Pb\n0.167564 0.832436 0.000000 Pb\n0.827857 0.500860 0.665262 Pb\n0.172143 0.499140 0.334738 Pb\n0.561133 0.185174 0.063240 O\n0.771842 0.148412 0.271555 O\n0.438867 0.814826 0.936760 O\n0.481184 0.102534 0.605859 O\n0.104917 0.104917 0.981372 O\n0.227126 0.227126 0.353180 O\n0.851588 0.228158 0.728445 O\n0.518816 0.897466 0.394141 O\n0.895083 0.895083 0.018628 O\n0.437786 0.437786 0.313114 O\n0.772874 0.772874 0.646820 O\n0.814826 0.438867 0.936760 O\n0.148412 0.771842 0.271555 O\n0.562214 0.562214 0.686886 O\n0.185174 0.561133 0.063240 O\n0.897466 0.518816 0.394141 O\n0.228158 0.851588 0.728445 O\n0.102534 0.481184 0.605859 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.192763869987525,
"density_atomic": 0.06164521789416718,
"volume": 616.4306218405877,
"volume_molar": 9.769031509206181,
"formula_full": "Ag14 Pb6 O18",
"formula_reduced": "Ag7(PbO3)3",
"formula_anonymous": "A3B7C9",
"energy": -182.03344696,
"energy_per_atom": -4.790353867368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.66744696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.781000Z",
"spacegroup": 12
},
{
"id": "mp-1178556",
"created_at": "2022-09-04T14:41:16.152547Z",
"structure_string": "Ag2 Pb2 O6\n1.0\n5.330899 -2.889288 0.000000\n5.330899 2.889288 0.000000\n3.764938 0.000000 4.753074\nAg Pb O\n2 2 6\ndirect\n0.857425 0.857425 0.857425 Ag\n0.142575 0.142575 0.142575 Ag\n0.354165 0.354165 0.354165 Pb\n0.645835 0.645835 0.645835 Pb\n0.543821 0.951901 0.261131 O\n0.738869 0.456179 0.048099 O\n0.048099 0.738869 0.456179 O\n0.951901 0.261131 0.543821 O\n0.261131 0.543821 0.951901 O\n0.456179 0.048099 0.738869 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.23510787178762,
"density_atomic": 0.0682973951800929,
"volume": 146.41846842959492,
"volume_molar": 8.817526267466368,
"formula_full": "Ag2 Pb2 O6",
"formula_reduced": "AgPbO3",
"formula_anonymous": "ABC3",
"energy": -51.25327082,
"energy_per_atom": -5.125327082,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.13127082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0014088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.044000Z",
"spacegroup": 148
},
{
"id": "mp-22286",
"created_at": "2022-09-04T14:45:15.409229Z",
"structure_string": "Ag5 Pb2 O6\n1.0\n3.035648 -5.257897 0.000000\n3.035648 5.257897 0.000000\n0.000000 0.000000 6.527926\nAg Pb O\n5 2 6\ndirect\n0.000000 0.000000 0.236980 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.763020 Ag\n0.500000 0.500000 0.000000 Ag\n0.666667 0.333333 0.500000 Pb\n0.333333 0.666667 0.500000 Pb\n0.622690 0.622690 0.308143 O\n0.377310 0.377310 0.691857 O\n0.000000 0.622690 0.691857 O\n0.622690 0.000000 0.691857 O\n0.000000 0.377310 0.308143 O\n0.377310 0.000000 0.308143 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.36490598369441,
"density_atomic": 0.06238420550129691,
"volume": 208.3860793855865,
"volume_molar": 9.653310019111816,
"formula_full": "Ag5 Pb2 O6",
"formula_reduced": "Ag5(PbO3)2",
"formula_anonymous": "A2B5C6",
"energy": -61.7571196,
"energy_per_atom": -4.750547661538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.6351196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.506000Z",
"spacegroup": 162
},
{
"id": "mp-20210",
"created_at": "2022-09-04T14:45:39.372128Z",
"structure_string": "Ag4 Pb2 O4\n1.0\n4.519256 4.421718 0.000000\n-4.519256 4.421718 0.000000\n0.000000 4.122786 4.658450\nAg Pb O\n4 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.883951 0.116049 0.250000 Pb\n0.116049 0.883951 0.750000 Pb\n0.863764 0.750958 0.260851 O\n0.136236 0.249042 0.739149 O\n0.249042 0.136236 0.239149 O\n0.750958 0.863764 0.760851 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.115199770765546,
"density_atomic": 0.053711908126650325,
"volume": 186.178453694485,
"volume_molar": 11.211928546273306,
"formula_full": "Ag4 Pb2 O4",
"formula_reduced": "Ag2PbO2",
"formula_anonymous": "AB2C2",
"energy": -46.76204317,
"energy_per_atom": -4.676204317,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.01404317,
"band_gap": 1.3818,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005546,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.723000Z",
"spacegroup": 15
}
]
}