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=-nelements&page=12151",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12149",
"results": [
{
"id": "mp-153",
"created_at": "2022-09-04T14:45:54.713555Z",
"structure_string": "Mg2\n1.0\n1.601514 -2.773903 0.000000\n1.601514 2.773903 0.000000\n0.000000 0.000000 5.126691\nMg\n2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7720891684001192,
"density_atomic": 0.04390771616977905,
"volume": 45.550080360967776,
"volume_molar": 13.715449778152976,
"formula_full": "Mg2",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -3.18178778,
"energy_per_atom": -1.59089389,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.18178778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.196000Z",
"spacegroup": 194
},
{
"id": "mp-1095534",
"created_at": "2022-09-04T14:46:24.019461Z",
"structure_string": "C12\n1.0\n-4.749414 4.749414 1.419953\n4.749414 -4.749414 1.419953\n4.749414 4.749414 -1.419953\nC\n12\ndirect\n0.785284 0.214716 0.000000 C\n0.214716 0.785284 0.000000 C\n0.214716 0.214716 0.429432 C\n0.785284 0.785284 0.570568 C\n0.936386 0.237972 0.174358 C\n0.063614 0.762028 0.825642 C\n0.063614 0.237972 0.301586 C\n0.936386 0.762028 0.698414 C\n0.762028 0.936386 0.698414 C\n0.237972 0.063614 0.301586 C\n0.237972 0.936386 0.174358 C\n0.762028 0.063614 0.825642 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8680334376516554,
"density_atomic": 0.09366281990069324,
"volume": 128.11914068702072,
"volume_molar": 6.429595827229016,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -97.26369794,
"energy_per_atom": -8.105308161666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.26369794,
"band_gap": 0.3717999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.015000Z",
"spacegroup": 139
},
{
"id": "mp-542461",
"created_at": "2022-09-04T14:46:24.911227Z",
"structure_string": "Se32\n1.0\n10.273104 0.000000 0.000000\n0.000000 9.450373 0.000000\n0.000000 9.271796 12.340093\nSe\n32\ndirect\n0.495249 0.925311 0.757421 Se\n0.995249 0.074689 0.742579 Se\n0.504751 0.074689 0.242579 Se\n0.004751 0.925311 0.257421 Se\n0.654241 0.939240 0.641743 Se\n0.154241 0.060760 0.858257 Se\n0.345759 0.060760 0.358257 Se\n0.845759 0.939240 0.141743 Se\n0.639174 0.214122 0.468504 Se\n0.139174 0.785878 0.031496 Se\n0.360826 0.785878 0.531496 Se\n0.860826 0.214122 0.968504 Se\n0.799060 0.408665 0.453769 Se\n0.299060 0.591335 0.046231 Se\n0.200940 0.591335 0.546231 Se\n0.700940 0.408665 0.953769 Se\n0.692335 0.594187 0.486368 Se\n0.192335 0.405813 0.013632 Se\n0.307665 0.405813 0.513632 Se\n0.807665 0.594187 0.986368 Se\n0.723040 0.480938 0.668976 Se\n0.223040 0.519062 0.831024 Se\n0.276960 0.519062 0.331024 Se\n0.776960 0.480938 0.168976 Se\n0.538051 0.310251 0.769702 Se\n0.038051 0.689749 0.730298 Se\n0.461949 0.689749 0.230298 Se\n0.961949 0.310251 0.269702 Se\n0.594162 0.010970 0.857412 Se\n0.094162 0.989030 0.642588 Se\n0.405838 0.989030 0.142588 Se\n0.905838 0.010970 0.357412 Se\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 3.5021693898110904,
"density_atomic": 0.02671043191247992,
"volume": 1198.0337908743675,
"volume_molar": 22.546025387130765,
"formula_full": "Se32",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -111.66501356,
"energy_per_atom": -3.48953167375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.66501356,
"band_gap": 1.5703,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018165,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.242000Z",
"spacegroup": 14
},
{
"id": "mp-1096915",
"created_at": "2022-09-04T14:46:20.236845Z",
"structure_string": "Cs1\n1.0\n4.338132 3.019011 0.000000\n-4.338132 3.019011 0.000000\n0.000000 2.574936 4.413887\nCs\n1\ndirect\n0.000000 0.000000 0.500000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9088562740358759,
"density_atomic": 0.008649307468195548,
"volume": 115.61619281972685,
"volume_molar": 69.62569872956963,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85319385,
"energy_per_atom": -0.85319385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85319385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.928000Z",
"spacegroup": 12
},
{
"id": "mp-1271128",
"created_at": "2022-09-04T14:46:29.187304Z",
"structure_string": "Fe2\n1.0\n2.188900 0.338815 -0.981869\n-0.800792 2.065459 -0.981202\n1.069631 1.855593 3.028954\nFe\n2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.517772775708455,
"density_atomic": 0.09185285457021893,
"volume": 21.77395584881966,
"volume_molar": 6.556291351180864,
"formula_full": "Fe2",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -16.74177322,
"energy_per_atom": -8.37088661,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.74177322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0002904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.181000Z",
"spacegroup": 139
},
{
"id": "mp-1076923",
"created_at": "2022-09-04T14:46:37.785596Z",
"structure_string": "Ta4\n1.0\n22.698565 0.000000 0.000000\n0.000000 22.698565 0.000000\n0.000000 0.000000 2.404058\nTa\n4\ndirect\n0.318632 0.818632 0.000000 Ta\n0.681368 0.181368 0.000000 Ta\n0.818632 0.681368 0.000000 Ta\n0.181368 0.318632 0.000000 Ta\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 0.9703330921975528,
"density_atomic": 0.003229373268876708,
"volume": 1238.6304297958543,
"volume_molar": 186.48016994624834,
"formula_full": "Ta4",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -26.84558027,
"energy_per_atom": -6.7113950675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.84558027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8204823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.907000Z",
"spacegroup": 127
},
{
"id": "mp-23153",
"created_at": "2022-09-04T14:46:41.832670Z",
"structure_string": "I4\n1.0\n2.301666 -4.570426 0.000000\n2.301666 4.570426 0.000000\n0.000000 0.000000 9.832479\nI\n4\ndirect\n0.658867 0.658867 0.122443 I\n0.341133 0.341133 0.877557 I\n0.841133 0.841133 0.622443 I\n0.158867 0.158867 0.377557 I\n",
"nsites": 4,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.074684630977836,
"density_atomic": 0.019336059958200924,
"volume": 206.8673767379117,
"volume_molar": 31.14461153419135,
"formula_full": "I4",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -6.09605046,
"energy_per_atom": -1.524012615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.09605046,
"band_gap": 1.0548,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015802,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.205000Z",
"spacegroup": 64
},
{
"id": "mp-1196831",
"created_at": "2022-09-04T14:46:30.264556Z",
"structure_string": "S80\n1.0\n10.227076 0.000000 0.000000\n0.000000 14.090503 0.000000\n0.000000 6.956926 17.905648\nS\n80\ndirect\n0.012247 0.000000 0.000000 S\n0.512161 0.000000 0.500000 S\n0.194428 0.500000 0.000000 S\n0.695334 0.500000 0.500000 S\n0.631991 0.124931 0.450923 S\n0.631991 0.875069 0.549077 S\n0.676444 0.185273 0.531539 S\n0.676444 0.814727 0.468461 S\n0.528334 0.285674 0.530754 S\n0.528334 0.714326 0.469246 S\n0.575683 0.425048 0.449989 S\n0.575683 0.574952 0.550011 S\n0.050015 0.070549 0.457193 S\n0.050015 0.929451 0.542807 S\n0.190714 0.158185 0.482737 S\n0.190714 0.841815 0.517263 S\n0.104069 0.223393 0.551828 S\n0.104069 0.776607 0.448172 S\n0.015766 0.357147 0.483881 S\n0.015766 0.642853 0.516119 S\n0.156023 0.529433 0.542172 S\n0.156023 0.470567 0.457828 S\n0.805325 0.049069 0.302902 S\n0.805325 0.950931 0.697098 S\n0.723310 0.015293 0.768296 S\n0.723310 0.984707 0.231704 S\n0.865688 0.103727 0.791275 S\n0.865688 0.896273 0.208725 S\n0.859543 0.245230 0.706133 S\n0.859543 0.754770 0.293867 S\n0.719873 0.330770 0.734409 S\n0.719873 0.669230 0.265591 S\n0.811007 0.397733 0.801479 S\n0.811007 0.602267 0.198521 S\n0.896676 0.531160 0.732056 S\n0.896676 0.468840 0.267944 S\n0.755009 0.643758 0.706697 S\n0.755009 0.356242 0.293303 S\n0.758241 0.703521 0.790489 S\n0.758241 0.296479 0.209511 S\n0.897255 0.181861 0.237009 S\n0.897255 0.818139 0.762991 S\n0.382192 0.111231 0.282090 S\n0.382192 0.888769 0.717910 S\n0.233947 0.012131 0.280510 S\n0.233947 0.987869 0.719490 S\n0.282756 0.048768 0.799252 S\n0.282756 0.951232 0.200748 S\n0.399981 0.174554 0.747923 S\n0.399981 0.825446 0.252077 S\n0.278055 0.298610 0.700689 S\n0.278055 0.701390 0.299311 S\n0.238415 0.359079 0.781871 S\n0.238415 0.640921 0.218129 S\n0.386616 0.460804 0.778159 S\n0.386616 0.539196 0.221841 S\n0.334105 0.599892 0.698876 S\n0.334105 0.400108 0.301124 S\n0.217161 0.672862 0.751759 S\n0.217161 0.327138 0.248241 S\n0.339523 0.749038 0.799502 S\n0.339523 0.250962 0.200498 S\n0.604178 0.777113 0.947214 S\n0.604178 0.222887 0.052786 S\n0.690195 0.157846 0.983277 S\n0.690195 0.842154 0.016723 S\n0.548848 0.070754 0.957537 S\n0.548848 0.929246 0.042463 S\n0.514971 0.356252 0.985072 S\n0.514971 0.643748 0.014928 S\n0.654781 0.470053 0.958060 S\n0.654781 0.529947 0.041940 S\n0.174912 0.813774 0.969373 S\n0.174912 0.186226 0.030627 S\n0.131574 0.124924 0.950220 S\n0.131574 0.875076 0.049780 S\n0.026968 0.713113 0.970608 S\n0.026968 0.286887 0.029392 S\n0.075672 0.425975 0.948751 S\n0.075672 0.574025 0.051249 S\n",
"nsites": 80,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6508298231044178,
"density_atomic": 0.031004302413772913,
"volume": 2580.2870495954758,
"volume_molar": 19.423564767336316,
"formula_full": "S80",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -330.07529879,
"energy_per_atom": -4.1259412348749995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.07529879,
"band_gap": 2.3187,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013068,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.240000Z",
"spacegroup": 3
},
{
"id": "mp-1022725",
"created_at": "2022-09-04T14:46:40.067157Z",
"structure_string": "Sn1\n1.0\n0.000000 2.406666 2.406666\n2.406666 0.000000 2.406666\n2.406666 2.406666 0.000000\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.070643473374787,
"density_atomic": 0.035869269880509785,
"volume": 27.87901742442123,
"volume_molar": 16.78913671803573,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.95531502,
"energy_per_atom": -3.95531502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.95531502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.618000Z",
"spacegroup": 225
},
{
"id": "mp-10172",
"created_at": "2022-09-04T14:46:32.530236Z",
"structure_string": "Na2\n1.0\n1.879709 -3.255751 0.000000\n1.879709 3.255751 0.000000\n0.000000 0.000000 6.064977\nNa\n2\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0285200176169875,
"density_atomic": 0.026941950775017327,
"volume": 74.23367434308267,
"volume_molar": 22.35228180130222,
"formula_full": "Na2",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -2.62444601,
"energy_per_atom": -1.312223005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.62444601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000377,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.131000Z",
"spacegroup": 194
},
{
"id": "mp-20483",
"created_at": "2022-09-04T14:46:29.192196Z",
"structure_string": "Pb1\n1.0\n0.000000 2.525267 2.525267\n2.525267 0.000000 2.525267\n2.525267 2.525267 0.000000\nPb\n1\ndirect\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.682845378536916,
"density_atomic": 0.03104903407774957,
"volume": 32.207121081316416,
"volume_molar": 19.39558166260509,
"formula_full": "Pb1",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -3.71264707,
"energy_per_atom": -3.71264707,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.71264707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000845,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.028000Z",
"spacegroup": 225
},
{
"id": "mp-1008395",
"created_at": "2022-09-04T14:43:39.239163Z",
"structure_string": "C4\n1.0\n-2.189607 2.189607 1.257332\n2.189607 -2.189607 1.257332\n2.189607 2.189607 -1.257332\nC\n4\ndirect\n0.180288 0.180288 0.360576 C\n0.819712 0.819712 0.639424 C\n0.819712 0.180288 0.000000 C\n0.180288 0.819712 0.000000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3085301943573393,
"density_atomic": 0.16588903682562642,
"volume": 24.11250361411516,
"volume_molar": 3.6302222710052554,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -35.57433527,
"energy_per_atom": -8.8935838175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.57433527,
"band_gap": 2.3454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.428000Z",
"spacegroup": 139
}
]
}