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=122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=120",
"results": [
{
"id": "mp-1183275",
"created_at": "2022-09-04T14:43:53.994929Z",
"structure_string": "As2 Pb6\n1.0\n3.527762 -6.110264 0.000000\n3.527762 6.110264 0.000000\n0.000000 0.000000 5.342287\nAs Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n0.174071 0.348141 0.250000 Pb\n0.651859 0.825929 0.250000 Pb\n0.174071 0.825929 0.250000 Pb\n0.825929 0.651859 0.750000 Pb\n0.348141 0.174071 0.750000 Pb\n0.825929 0.174071 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"As",
"Pb"
],
"chemical_system": "As-Pb",
"density": 10.043780622519115,
"density_atomic": 0.03473549747331476,
"volume": 230.31194547151452,
"volume_molar": 17.337136929236312,
"formula_full": "As2 Pb6",
"formula_reduced": "AsPb3",
"formula_anonymous": "AB3",
"energy": -30.51130753,
"energy_per_atom": -3.81391344125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.51130753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.293000Z",
"spacegroup": 194
},
{
"id": "mp-1105134",
"created_at": "2022-09-04T14:41:20.619851Z",
"structure_string": "As4 Pd12\n1.0\n-5.062299 5.062299 2.461351\n5.062299 -5.062299 2.461351\n5.062299 5.062299 -2.461351\nAs Pd\n4 12\ndirect\n0.200070 0.440521 0.674832 As\n0.765689 0.525238 0.325168 As\n0.559479 0.234311 0.759550 As\n0.474762 0.799930 0.240450 As\n0.158791 0.126831 0.810701 Pd\n0.316130 0.348089 0.189299 Pd\n0.873169 0.683870 0.031960 Pd\n0.651911 0.841209 0.968040 Pd\n0.343734 0.009686 0.394020 Pd\n0.615666 0.949714 0.605980 Pd\n0.990314 0.384334 0.334048 Pd\n0.050286 0.656266 0.665952 Pd\n0.925319 0.972057 0.393837 Pd\n0.578220 0.531482 0.606163 Pd\n0.027943 0.421780 0.953261 Pd\n0.468518 0.074681 0.046739 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 10.377107347408451,
"density_atomic": 0.0634148333147158,
"volume": 252.30689987932368,
"volume_molar": 9.496422911203215,
"formula_full": "As4 Pd12",
"formula_reduced": "AsPd3",
"formula_anonymous": "AB3",
"energy": -86.63060959,
"energy_per_atom": -5.414413099375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.63060959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006737,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.166000Z",
"spacegroup": 82
},
{
"id": "mp-8073",
"created_at": "2022-09-04T14:39:35.622515Z",
"structure_string": "As4 Pd8\n1.0\n1.665572 -8.596507 0.000000\n1.665572 8.596507 0.000000\n0.000000 0.000000 6.704945\nAs Pd\n4 8\ndirect\n0.203880 0.796120 0.231827 As\n0.796120 0.203880 0.731827 As\n0.558393 0.441607 0.697263 As\n0.441607 0.558393 0.197263 As\n0.674596 0.325404 0.960826 Pd\n0.325404 0.674596 0.460826 Pd\n0.415001 0.584999 0.826909 Pd\n0.584999 0.415001 0.326909 Pd\n0.170940 0.829060 0.607714 Pd\n0.829060 0.170940 0.107714 Pd\n0.961671 0.038329 0.489761 Pd\n0.038329 0.961671 0.989761 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 9.954771150775018,
"density_atomic": 0.06249864449350239,
"volume": 192.0041642062744,
"volume_molar": 9.635634194636152,
"formula_full": "As4 Pd8",
"formula_reduced": "AsPd2",
"formula_anonymous": "AB2",
"energy": -64.50531339,
"energy_per_atom": -5.3754427824999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.50531339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.82e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.712000Z",
"spacegroup": 36
},
{
"id": "mp-20465",
"created_at": "2022-09-04T14:48:22.677749Z",
"structure_string": "As8 Pd4\n1.0\n6.086488 0.000000 0.000000\n0.000000 6.086488 0.000000\n0.000000 0.000000 6.086488\nAs Pd\n8 4\ndirect\n0.383247 0.116753 0.883247 As\n0.116753 0.883247 0.383247 As\n0.883247 0.383247 0.116753 As\n0.616753 0.616753 0.616753 As\n0.383247 0.383247 0.383247 As\n0.116753 0.616753 0.883247 As\n0.883247 0.116753 0.616753 As\n0.616753 0.883247 0.116753 As\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 7.549097307115511,
"density_atomic": 0.05322074329450795,
"volume": 225.4759940798934,
"volume_molar": 11.31540145291704,
"formula_full": "As8 Pd4",
"formula_reduced": "As2Pd",
"formula_anonymous": "AB2",
"energy": -61.86797623,
"energy_per_atom": -5.155664685833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.86797623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.61e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:21.676000Z",
"spacegroup": 205
},
{
"id": "mp-1080831",
"created_at": "2022-09-04T14:39:36.328205Z",
"structure_string": "As3 Pd6\n1.0\n3.365068 -5.828469 0.000000\n3.365068 5.828469 0.000000\n0.000000 0.000000 3.691866\nAs Pd\n3 6\ndirect\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n0.000000 0.000000 0.500000 As\n0.000000 0.734612 0.000000 Pd\n0.265388 0.265388 0.000000 Pd\n0.734612 0.000000 0.000000 Pd\n0.000000 0.391607 0.500000 Pd\n0.608393 0.608393 0.500000 Pd\n0.391607 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 9.898717520438188,
"density_atomic": 0.06214672521158911,
"volume": 144.81857200613496,
"volume_molar": 9.69019805870156,
"formula_full": "As3 Pd6",
"formula_reduced": "AsPd2",
"formula_anonymous": "AB2",
"energy": -48.30599907,
"energy_per_atom": -5.36733323,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.30599907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014567,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.751000Z",
"spacegroup": 189
},
{
"id": "mp-2512",
"created_at": "2022-09-04T14:42:20.358934Z",
"structure_string": "As2 Pd10\n1.0\n3.919075 2.807703 0.000000\n-3.919075 2.807703 0.000000\n0.000000 1.295705 8.498827\nAs Pd\n2 10\ndirect\n0.772655 0.772655 0.712683 As\n0.227345 0.227345 0.287317 As\n0.275953 0.796757 0.825884 Pd\n0.203243 0.724047 0.174116 Pd\n0.796757 0.275953 0.825884 Pd\n0.724047 0.203243 0.174116 Pd\n0.354190 0.354190 0.647986 Pd\n0.645810 0.645810 0.352014 Pd\n0.256735 0.256735 0.993127 Pd\n0.743265 0.743265 0.006873 Pd\n0.815896 0.184104 0.500000 Pd\n0.184104 0.815896 0.500000 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 10.778529454713091,
"density_atomic": 0.06415899030728368,
"volume": 187.03536234792793,
"volume_molar": 9.386277326306885,
"formula_full": "As2 Pd10",
"formula_reduced": "AsPd5",
"formula_anonymous": "AB5",
"energy": -64.35730086,
"energy_per_atom": -5.363108404999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.35730086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029893,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.042000Z",
"spacegroup": 12
},
{
"id": "mp-1228793",
"created_at": "2022-09-04T14:40:22.444303Z",
"structure_string": "As1 Pd4\n1.0\n-1.548860 1.548860 8.201647\n1.548860 -1.548860 8.201647\n1.548860 1.548860 -8.201647\nAs Pd\n1 4\ndirect\n0.000000 0.000000 0.000000 As\n0.409274 0.409274 0.000000 Pd\n0.800527 0.800527 0.000000 Pd\n0.199473 0.199473 0.000000 Pd\n0.590726 0.590726 0.000000 Pd\n",
"nsites": 5,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 10.562237728385528,
"density_atomic": 0.06353084205374256,
"volume": 78.70193182344974,
"volume_molar": 9.479082230494758,
"formula_full": "As1 Pd4",
"formula_reduced": "AsPd4",
"formula_anonymous": "AB4",
"energy": -26.15823277,
"energy_per_atom": -5.231646554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.15823277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0238185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.571000Z",
"spacegroup": 139
},
{
"id": "mp-1214686",
"created_at": "2022-09-04T14:43:23.156182Z",
"structure_string": "As12 Pd30\n1.0\n3.735546 -6.470155 0.000000\n3.735546 6.470155 0.000000\n0.000000 0.000000 13.675790\nAs Pd\n12 30\ndirect\n0.666667 0.333333 0.551070 As\n0.333333 0.666667 0.051070 As\n0.666667 0.333333 0.051070 As\n0.333333 0.666667 0.551070 As\n0.670786 0.670786 0.783023 As\n0.000000 0.329214 0.783023 As\n0.329214 0.329214 0.283023 As\n0.000000 0.670786 0.283023 As\n0.329214 0.000000 0.783023 As\n0.670786 0.000000 0.283023 As\n0.000000 0.000000 0.011118 As\n0.000000 0.000000 0.511118 As\n0.666667 0.333333 0.846808 Pd\n0.333333 0.666667 0.346808 Pd\n0.666667 0.333333 0.346808 Pd\n0.333333 0.666667 0.846808 Pd\n0.701311 0.701311 0.587071 Pd\n0.000000 0.298689 0.587071 Pd\n0.298689 0.298689 0.087071 Pd\n0.000000 0.701311 0.087071 Pd\n0.298689 0.000000 0.587071 Pd\n0.701311 0.000000 0.087071 Pd\n0.753999 0.753999 0.379489 Pd\n0.000000 0.246001 0.379489 Pd\n0.246001 0.246001 0.879489 Pd\n0.000000 0.753999 0.879489 Pd\n0.246001 0.000000 0.379489 Pd\n0.753999 0.000000 0.879489 Pd\n0.385112 0.385112 0.692419 Pd\n0.000000 0.614888 0.692419 Pd\n0.614888 0.614888 0.192419 Pd\n0.000000 0.385112 0.192419 Pd\n0.614888 0.000000 0.692419 Pd\n0.385112 0.000000 0.192419 Pd\n0.000000 0.000000 0.714302 Pd\n0.000000 0.000000 0.214302 Pd\n0.615569 0.615569 0.978605 Pd\n0.000000 0.384431 0.978605 Pd\n0.384431 0.384431 0.478605 Pd\n0.000000 0.615569 0.478605 Pd\n0.384431 0.000000 0.978605 Pd\n0.615569 0.000000 0.478605 Pd\n",
"nsites": 42,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 10.277733646023485,
"density_atomic": 0.06353281492076096,
"volume": 661.0756984777553,
"volume_molar": 9.478787879162763,
"formula_full": "As12 Pd30",
"formula_reduced": "As2Pd5",
"formula_anonymous": "A2B5",
"energy": -226.02972775,
"energy_per_atom": -5.38166018452381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.02972775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.143000Z",
"spacegroup": 185
},
{
"id": "mp-1183186",
"created_at": "2022-09-04T14:45:08.790712Z",
"structure_string": "As1 Pt3\n1.0\n4.013829 0.000000 0.000000\n0.000000 4.013829 0.000000\n0.000000 0.000000 4.013829\nAs Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"Pt"
],
"chemical_system": "As-Pt",
"density": 16.952378926008883,
"density_atomic": 0.06185622214797025,
"volume": 64.66608953956714,
"volume_molar": 9.735707340150922,
"formula_full": "As1 Pt3",
"formula_reduced": "AsPt3",
"formula_anonymous": "AB3",
"energy": -22.64703196,
"energy_per_atom": -5.66175799,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.64703196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.743000Z",
"spacegroup": 221
},
{
"id": "mp-2513",
"created_at": "2022-09-04T14:42:25.810455Z",
"structure_string": "As8 Pt4\n1.0\n6.064127 0.000000 0.000000\n0.000000 6.064127 0.000000\n0.000000 0.000000 6.064127\nAs Pt\n8 4\ndirect\n0.383323 0.383323 0.383323 As\n0.116677 0.616677 0.883323 As\n0.883323 0.116677 0.616677 As\n0.616677 0.883323 0.116677 As\n0.616677 0.616677 0.616677 As\n0.883323 0.383323 0.116677 As\n0.116677 0.883323 0.383323 As\n0.383323 0.116677 0.883323 As\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pt"
],
"chemical_system": "As-Pt",
"density": 10.273813258770884,
"density_atomic": 0.053811659046593296,
"volume": 223.00000060599683,
"volume_molar": 11.191144942744984,
"formula_full": "As8 Pt4",
"formula_reduced": "As2Pt",
"formula_anonymous": "AB2",
"energy": -67.76840999,
"energy_per_atom": -5.647367499166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.76840999,
"band_gap": 0.0785,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.920000Z",
"spacegroup": 205
},
{
"id": "mp-1183320",
"created_at": "2022-09-04T14:41:01.838345Z",
"structure_string": "As2 Pt6\n1.0\n2.793521 -4.838520 0.000000\n2.793521 4.838520 0.000000\n0.000000 0.000000 4.770865\nAs Pt\n2 6\ndirect\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n0.166470 0.332940 0.250000 Pt\n0.667060 0.833530 0.250000 Pt\n0.166470 0.833530 0.250000 Pt\n0.833530 0.667060 0.750000 Pt\n0.332940 0.166470 0.750000 Pt\n0.833530 0.166470 0.750000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"As",
"Pt"
],
"chemical_system": "As-Pt",
"density": 16.999871631563895,
"density_atomic": 0.06202951460196982,
"volume": 128.97086252140284,
"volume_molar": 9.708508600531205,
"formula_full": "As2 Pt6",
"formula_reduced": "AsPt3",
"formula_anonymous": "AB3",
"energy": -45.36184405,
"energy_per_atom": -5.67023050625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.36184405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.915000Z",
"spacegroup": 194
},
{
"id": "mp-1228882",
"created_at": "2022-09-04T14:39:11.894558Z",
"structure_string": "As7 Rh12\n1.0\n0.000000 0.000000 -3.727079\n-4.703496 -8.146693 0.000000\n-4.703496 8.146693 0.000000\nAs Rh\n7 12\ndirect\n0.587664 0.000000 0.000000 As\n0.749875 0.286512 0.841603 As\n0.749875 0.158397 0.444909 As\n0.749875 0.555091 0.713488 As\n0.253238 0.715208 0.161312 As\n0.253238 0.838688 0.553896 As\n0.253238 0.446104 0.284792 As\n0.755491 0.990187 0.748538 Rh\n0.755491 0.251462 0.241650 Rh\n0.755491 0.758350 0.009813 Rh\n0.254526 0.007571 0.235575 Rh\n0.254526 0.764425 0.771996 Rh\n0.254526 0.228004 0.992429 Rh\n0.754297 0.515497 0.134039 Rh\n0.754297 0.865961 0.381458 Rh\n0.754297 0.618542 0.484503 Rh\n0.247686 0.483185 0.862515 Rh\n0.247686 0.137485 0.620671 Rh\n0.247686 0.379329 0.516815 Rh\n",
"nsites": 19,
"nelements": 2,
"elements": [
"As",
"Rh"
],
"chemical_system": "As-Rh",
"density": 10.228042464816548,
"density_atomic": 0.06652009753725478,
"volume": 285.6279636294729,
"volume_molar": 9.053114747204454,
"formula_full": "As7 Rh12",
"formula_reduced": "As7Rh12",
"formula_anonymous": "A7B12",
"energy": -128.67119552,
"energy_per_atom": -6.7721681852631574,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.67119552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.402000Z",
"spacegroup": 143
}
]
}