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=energy_per_atom&page=10237",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10235",
"results": [
{
"id": "mp-983407",
"created_at": "2022-09-04T14:39:08.903937Z",
"structure_string": "H2 Pd6\n1.0\n2.775363 -4.807070 0.000000\n2.775363 4.807070 0.000000\n0.000000 0.000000 4.081002\nH Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.174441 0.348881 0.250000 Pd\n0.651119 0.825559 0.250000 Pd\n0.174441 0.825559 0.250000 Pd\n0.825559 0.651119 0.750000 Pd\n0.348881 0.174441 0.750000 Pd\n0.825559 0.174441 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"Pd"
],
"chemical_system": "H-Pd",
"density": 9.767772045341474,
"density_atomic": 0.07346710780850234,
"volume": 108.89226809979529,
"volume_molar": 8.197057077157812,
"formula_full": "H2 Pd6",
"formula_reduced": "HPd3",
"formula_anonymous": "AB3",
"energy": -33.96812607,
"energy_per_atom": -4.24601575875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.96812607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0127254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.869000Z",
"spacegroup": 194
},
{
"id": "mp-1220888",
"created_at": "2022-09-04T14:42:46.089617Z",
"structure_string": "Na1 Sr2 Sn6 As6\n1.0\n6.274562 3.622952 0.000000\n-6.274562 3.622952 0.000000\n0.000000 2.425187 9.207268\nNa Sr Sn As\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.666539 0.333461 0.000000 Sr\n0.333461 0.666539 0.000000 Sr\n0.541379 0.875383 0.372850 Sn\n0.210313 0.210313 0.372855 Sn\n0.875383 0.541379 0.372850 Sn\n0.458621 0.124617 0.627150 Sn\n0.124617 0.458621 0.627150 Sn\n0.789687 0.789687 0.627145 Sn\n0.405961 0.405961 0.777736 As\n0.074057 0.742199 0.777490 As\n0.742199 0.074057 0.777490 As\n0.594039 0.594039 0.222264 As\n0.257801 0.925943 0.222510 As\n0.925943 0.257801 0.222510 As\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Sn",
"As"
],
"chemical_system": "As-Na-Sn-Sr",
"density": 5.394949896618382,
"density_atomic": 0.03583310842735732,
"volume": 418.60727852870355,
"volume_molar": 16.806079696402524,
"formula_full": "Na1 Sr2 Sn6 As6",
"formula_reduced": "NaSr2(SnAs)6",
"formula_anonymous": "AB2C6D6",
"energy": -63.69003116,
"energy_per_atom": -4.246002077333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.69003116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0085831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.192000Z",
"spacegroup": 12
},
{
"id": "mp-1188913",
"created_at": "2022-09-04T14:47:00.432473Z",
"structure_string": "Cs4 S12\n1.0\n4.839427 0.000000 0.000000\n0.082619 9.499974 0.000000\n1.011882 0.872025 11.748592\nCs S\n4 12\ndirect\n0.950782 0.676216 0.096209 Cs\n0.049218 0.323784 0.903791 Cs\n0.893869 0.310507 0.385897 Cs\n0.106131 0.689493 0.614103 Cs\n0.470528 0.344988 0.145772 S\n0.529472 0.655012 0.854228 S\n0.428377 0.614298 0.329680 S\n0.571623 0.385702 0.670320 S\n0.483573 0.138846 0.104056 S\n0.516427 0.861154 0.895944 S\n0.207895 0.016516 0.211576 S\n0.792105 0.983484 0.788424 S\n0.365411 0.964462 0.369846 S\n0.634589 0.035538 0.630154 S\n0.633515 0.791873 0.362035 S\n0.366485 0.208127 0.637965 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cs",
"S"
],
"chemical_system": "Cs-S",
"density": 2.8172984264709147,
"density_atomic": 0.02962223348280965,
"volume": 540.1348284316612,
"volume_molar": 20.32979978871196,
"formula_full": "Cs4 S12",
"formula_reduced": "CsS3",
"formula_anonymous": "AB3",
"energy": -67.93590486,
"energy_per_atom": -4.24599405375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.89990486,
"band_gap": 1.6567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001544,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.567000Z",
"spacegroup": 2
},
{
"id": "mp-776268",
"created_at": "2022-09-04T14:39:41.022791Z",
"structure_string": "Li40 Sb8 S32\n1.0\n11.291222 0.000000 0.000000\n0.000000 11.785588 0.000000\n0.000000 0.000000 11.920774\nLi Sb S\n40 8 32\ndirect\n0.121796 0.596631 0.146934 Li\n0.121796 0.903369 0.646934 Li\n0.112139 0.132623 0.851200 Li\n0.112139 0.367377 0.351200 Li\n0.133547 0.845757 0.406891 Li\n0.133547 0.654243 0.906891 Li\n0.142355 0.861379 0.132767 Li\n0.142355 0.638621 0.632767 Li\n0.149072 0.103745 0.400409 Li\n0.149072 0.396255 0.900409 Li\n0.350928 0.896255 0.900409 Li\n0.350928 0.603745 0.400409 Li\n0.357645 0.138621 0.632767 Li\n0.357645 0.361379 0.132767 Li\n0.366453 0.345757 0.406891 Li\n0.366453 0.154243 0.906891 Li\n0.387861 0.632623 0.851200 Li\n0.387861 0.867377 0.351200 Li\n0.378204 0.403369 0.646934 Li\n0.378204 0.096631 0.146934 Li\n0.621796 0.596631 0.353066 Li\n0.621796 0.903369 0.853066 Li\n0.612139 0.132623 0.648800 Li\n0.612139 0.367377 0.148800 Li\n0.633547 0.654243 0.593109 Li\n0.633547 0.845757 0.093109 Li\n0.642355 0.638621 0.867233 Li\n0.642355 0.861379 0.367233 Li\n0.649072 0.103745 0.099591 Li\n0.649072 0.396255 0.599591 Li\n0.850928 0.603745 0.099591 Li\n0.850928 0.896255 0.599591 Li\n0.857645 0.361379 0.367233 Li\n0.857645 0.138621 0.867233 Li\n0.866453 0.154243 0.593109 Li\n0.866453 0.345757 0.093109 Li\n0.887861 0.632623 0.648800 Li\n0.887861 0.867377 0.148800 Li\n0.878204 0.096631 0.353066 Li\n0.878204 0.403369 0.853066 Li\n0.082989 0.145401 0.145066 Sb\n0.082989 0.354599 0.645066 Sb\n0.417011 0.645401 0.145066 Sb\n0.417011 0.854599 0.645066 Sb\n0.582989 0.145401 0.354934 Sb\n0.582989 0.354599 0.854934 Sb\n0.917011 0.645401 0.354934 Sb\n0.917011 0.854599 0.854934 Sb\n0.996865 0.232800 0.457302 S\n0.996865 0.267200 0.957302 S\n0.029464 0.970182 0.274016 S\n0.029464 0.529818 0.774016 S\n0.214970 0.031980 0.015250 S\n0.214970 0.468020 0.515250 S\n0.254147 0.226686 0.260924 S\n0.254147 0.273314 0.760924 S\n0.245853 0.726686 0.260924 S\n0.245853 0.773314 0.760924 S\n0.285030 0.531980 0.015250 S\n0.285030 0.968020 0.515250 S\n0.470536 0.470182 0.274016 S\n0.470536 0.029818 0.774016 S\n0.503135 0.732800 0.457302 S\n0.503135 0.767200 0.957302 S\n0.496865 0.232800 0.042698 S\n0.496865 0.267200 0.542698 S\n0.529464 0.970182 0.225984 S\n0.529464 0.529818 0.725984 S\n0.714970 0.468020 0.984750 S\n0.714970 0.031980 0.484750 S\n0.754147 0.226686 0.239076 S\n0.754147 0.273314 0.739076 S\n0.745853 0.726686 0.239076 S\n0.745853 0.773314 0.739076 S\n0.785030 0.968020 0.984750 S\n0.785030 0.531980 0.484750 S\n0.970536 0.029818 0.725984 S\n0.970536 0.470182 0.225984 S\n0.003135 0.732800 0.042698 S\n0.003135 0.767200 0.542698 S\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.384339152963914,
"density_atomic": 0.05043050664216338,
"volume": 1586.3413898982028,
"volume_molar": 11.941463929226275,
"formula_full": "Li40 Sb8 S32",
"formula_reduced": "Li5SbS4",
"formula_anonymous": "AB4C5",
"energy": -339.67834617999995,
"energy_per_atom": -4.24597932725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.58234617999994,
"band_gap": 1.6744,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.575000Z",
"spacegroup": 61
},
{
"id": "mp-696956",
"created_at": "2022-09-04T14:40:40.902029Z",
"structure_string": "Cu4 H4 Cl4 O4\n1.0\n6.481129 0.000000 0.000000\n0.000000 5.966944 0.000000\n0.000000 2.909196 7.392883\nCu H Cl O\n4 4 4 4\ndirect\n0.624993 0.817707 0.977501 Cu\n0.124993 0.682293 0.022499 Cu\n0.375007 0.182293 0.022499 Cu\n0.875007 0.317707 0.977501 Cu\n0.852389 0.328867 0.494179 H\n0.352389 0.171133 0.505821 H\n0.147611 0.671133 0.505821 H\n0.647611 0.828867 0.494179 H\n0.971651 0.192660 0.621841 Cl\n0.471651 0.307340 0.378159 Cl\n0.028349 0.807340 0.378159 Cl\n0.528349 0.692660 0.621841 Cl\n0.847003 0.636044 0.990970 O\n0.347003 0.863956 0.009030 O\n0.152997 0.363956 0.009030 O\n0.652997 0.136044 0.990970 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 2.695096704573473,
"density_atomic": 0.05596332656426336,
"volume": 285.9015176952894,
"volume_molar": 10.760869894116647,
"formula_full": "Cu4 H4 Cl4 O4",
"formula_reduced": "CuHClO",
"formula_anonymous": "ABCD",
"energy": -67.93542769,
"energy_per_atom": -4.245964230625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.73142769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4512302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.559000Z",
"spacegroup": 14
},
{
"id": "mp-766390",
"created_at": "2022-09-04T14:43:08.203552Z",
"structure_string": "Li40 Bi8 S32\n1.0\n11.408799 0.000000 0.000000\n0.000000 11.793324 0.000000\n0.000000 0.000000 11.995372\nLi Bi S\n40 8 32\ndirect\n0.125228 0.597975 0.147591 Li\n0.125228 0.902025 0.647591 Li\n0.116517 0.129687 0.853445 Li\n0.116517 0.370313 0.353445 Li\n0.131250 0.852600 0.407054 Li\n0.131250 0.647400 0.907054 Li\n0.141875 0.864228 0.137028 Li\n0.141875 0.635772 0.637028 Li\n0.148116 0.106546 0.400214 Li\n0.148116 0.393454 0.900214 Li\n0.351884 0.893454 0.900214 Li\n0.351884 0.606546 0.400214 Li\n0.358125 0.135772 0.637028 Li\n0.358125 0.364228 0.137028 Li\n0.368750 0.352600 0.407054 Li\n0.368750 0.147400 0.907054 Li\n0.383483 0.629687 0.853445 Li\n0.383483 0.870313 0.353445 Li\n0.374772 0.402025 0.647591 Li\n0.374772 0.097975 0.147591 Li\n0.625228 0.597975 0.352409 Li\n0.625228 0.902025 0.852409 Li\n0.616517 0.129687 0.646555 Li\n0.616517 0.370313 0.146555 Li\n0.631250 0.647400 0.592946 Li\n0.631250 0.852600 0.092946 Li\n0.641875 0.635772 0.862972 Li\n0.641875 0.864228 0.362972 Li\n0.648116 0.106546 0.099786 Li\n0.648116 0.393454 0.599786 Li\n0.851884 0.606546 0.099786 Li\n0.851884 0.893454 0.599786 Li\n0.858125 0.364228 0.362972 Li\n0.858125 0.135772 0.862972 Li\n0.868750 0.147400 0.592946 Li\n0.868750 0.352600 0.092946 Li\n0.883483 0.629687 0.646555 Li\n0.883483 0.870313 0.146555 Li\n0.874772 0.097975 0.352409 Li\n0.874772 0.402025 0.852409 Li\n0.084120 0.150599 0.142187 Bi\n0.084120 0.349401 0.642187 Bi\n0.415880 0.650599 0.142187 Bi\n0.415880 0.849401 0.642187 Bi\n0.584120 0.150599 0.357813 Bi\n0.584120 0.349401 0.857813 Bi\n0.915880 0.650599 0.357813 Bi\n0.915880 0.849401 0.857813 Bi\n0.993859 0.235026 0.456405 S\n0.993859 0.264974 0.956405 S\n0.021283 0.971389 0.273794 S\n0.021283 0.528611 0.773794 S\n0.221522 0.026952 0.013442 S\n0.221522 0.473048 0.513441 S\n0.260509 0.230512 0.268317 S\n0.260509 0.269488 0.768317 S\n0.239491 0.730512 0.268317 S\n0.239491 0.769488 0.768317 S\n0.278478 0.526952 0.013442 S\n0.278478 0.973048 0.513441 S\n0.478717 0.471389 0.273794 S\n0.478717 0.028611 0.773794 S\n0.506141 0.735026 0.456405 S\n0.506141 0.764974 0.956405 S\n0.493859 0.235026 0.043595 S\n0.493859 0.264974 0.543595 S\n0.521283 0.971389 0.226206 S\n0.521283 0.528611 0.726206 S\n0.721522 0.473048 0.986559 S\n0.721522 0.026952 0.486559 S\n0.760509 0.230512 0.231683 S\n0.760509 0.269488 0.731683 S\n0.739491 0.730512 0.231683 S\n0.739491 0.769488 0.731683 S\n0.778478 0.973048 0.986559 S\n0.778478 0.526952 0.486559 S\n0.978717 0.028611 0.726206 S\n0.978717 0.471389 0.226206 S\n0.006141 0.735026 0.043595 S\n0.006141 0.764974 0.543595 S\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Li",
"Bi",
"S"
],
"chemical_system": "Bi-Li-S",
"density": 3.0614586407668902,
"density_atomic": 0.04956785289450484,
"volume": 1613.9492701098802,
"volume_molar": 12.149287105126199,
"formula_full": "Li40 Bi8 S32",
"formula_reduced": "Li5BiS4",
"formula_anonymous": "AB4C5",
"energy": -339.67540040000006,
"energy_per_atom": -4.245942505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.57940040000005,
"band_gap": 1.8897,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.711000Z",
"spacegroup": 61
},
{
"id": "mp-1232332",
"created_at": "2022-09-04T14:46:56.226959Z",
"structure_string": "Zn1 Cu2 Si1 Se4\n1.0\n-2.809656 2.809656 5.555005\n2.809656 -2.809656 5.555005\n2.809656 2.809656 -5.555005\nZn Cu Si Se\n1 2 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Si\n0.142865 0.133657 0.518135 Se\n0.615522 0.624730 0.481865 Se\n0.866343 0.384478 0.009208 Se\n0.375270 0.857135 0.990792 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-Se-Si-Zn",
"density": 5.078185669069057,
"density_atomic": 0.04560781231369736,
"volume": 175.4085450311627,
"volume_molar": 13.204186858555754,
"formula_full": "Zn1 Cu2 Si1 Se4",
"formula_reduced": "ZnCu2SiSe4",
"formula_anonymous": "ABC2D4",
"energy": -33.96738152,
"energy_per_atom": -4.24592269,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.07938152,
"band_gap": 0.5549,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.675000Z",
"spacegroup": 82
},
{
"id": "mp-1095433",
"created_at": "2022-09-04T14:45:53.855673Z",
"structure_string": "Tm2 Ga8 Ni2\n1.0\n2.053435 -7.574130 0.000000\n2.053435 7.574130 0.000000\n0.000000 0.000000 6.593655\nTm Ga Ni\n2 8 2\ndirect\n0.880206 0.119794 0.750000 Tm\n0.119794 0.880206 0.250000 Tm\n0.500000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.070675 0.929325 0.750000 Ga\n0.929325 0.070675 0.250000 Ga\n0.684780 0.315220 0.948953 Ga\n0.315220 0.684780 0.051047 Ga\n0.684780 0.315220 0.551047 Ga\n0.315220 0.684780 0.448953 Ga\n0.225590 0.774410 0.750000 Ni\n0.774410 0.225590 0.250000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Tm",
"density": 8.201729209516719,
"density_atomic": 0.05850746958308131,
"volume": 205.10201664011217,
"volume_molar": 10.292943453055148,
"formula_full": "Tm2 Ga8 Ni2",
"formula_reduced": "TmGa4Ni",
"formula_anonymous": "ABC4",
"energy": -50.950946380000005,
"energy_per_atom": -4.245912198333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.950946380000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001671,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.101000Z",
"spacegroup": 63
},
{
"id": "mp-862763",
"created_at": "2022-09-04T14:41:07.997996Z",
"structure_string": "Pr1 Al8 Cu4\n1.0\n-4.455614 4.455614 2.600945\n4.455614 -4.455614 2.600945\n4.455614 4.455614 -2.600945\nPr Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.721811 0.500000 0.221811 Al\n0.500000 0.278189 0.778189 Al\n0.349249 0.000000 0.349249 Al\n0.000000 0.650751 0.650751 Al\n0.650751 0.000000 0.650751 Al\n0.000000 0.349249 0.349249 Al\n0.278189 0.500000 0.778189 Al\n0.500000 0.721811 0.221811 Al\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Pr",
"density": 4.911839784890989,
"density_atomic": 0.06294149767280575,
"volume": 206.5410020520806,
"volume_molar": 9.567838362069832,
"formula_full": "Pr1 Al8 Cu4",
"formula_reduced": "Pr(Al2Cu)4",
"formula_anonymous": "AB4C8",
"energy": -55.19667335,
"energy_per_atom": -4.24589795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.19667335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0098872,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.531000Z",
"spacegroup": 139
},
{
"id": "mp-1112945",
"created_at": "2022-09-04T14:39:59.940884Z",
"structure_string": "Cs2 Nd1 Ag1 Cl6\n1.0\n0.000000 5.516915 5.516915\n5.516915 0.000000 5.516915\n5.516915 5.516915 0.000000\nCs Nd Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.748092 0.251908 0.251908 Cl\n0.251908 0.251908 0.748092 Cl\n0.251908 0.748092 0.748092 Cl\n0.251908 0.748092 0.251908 Cl\n0.748092 0.251908 0.748092 Cl\n0.748092 0.748092 0.251908 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Nd",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Nd",
"density": 3.612710284736402,
"density_atomic": 0.02977701269224182,
"volume": 335.82952404777075,
"volume_molar": 20.224126651794805,
"formula_full": "Cs2 Nd1 Ag1 Cl6",
"formula_reduced": "Cs2NdAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.4575524,
"energy_per_atom": -4.245755239999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.7735524,
"band_gap": 3.8207,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.557000Z",
"spacegroup": 225
},
{
"id": "mp-1217315",
"created_at": "2022-09-04T14:46:19.022782Z",
"structure_string": "Th1 U1 Be26\n1.0\n0.000000 5.122400 5.122400\n5.122400 0.000000 5.122400\n5.122400 5.122400 0.000000\nTh U Be\n1 1 26\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.537708 0.312970 0.957347 Be\n0.957347 0.191976 0.537708 Be\n0.312970 0.537708 0.191976 Be\n0.191976 0.957347 0.312970 Be\n0.042653 0.687030 0.462292 Be\n0.462292 0.808024 0.042653 Be\n0.687030 0.042653 0.808024 Be\n0.808024 0.462292 0.687030 Be\n0.957347 0.537708 0.312970 Be\n0.537708 0.957347 0.191976 Be\n0.191976 0.312970 0.537708 Be\n0.312970 0.191976 0.957347 Be\n0.462292 0.042653 0.687030 Be\n0.042653 0.462292 0.808024 Be\n0.808024 0.687030 0.042653 Be\n0.687030 0.808024 0.462292 Be\n0.312970 0.957347 0.537708 Be\n0.191976 0.537708 0.957347 Be\n0.537708 0.191976 0.312970 Be\n0.957347 0.312970 0.191976 Be\n0.687030 0.462292 0.042653 Be\n0.808024 0.042653 0.462292 Be\n0.042653 0.808024 0.687030 Be\n0.462292 0.687030 0.808024 Be\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Th",
"U",
"Be"
],
"chemical_system": "Be-Th-U",
"density": 4.351188861579174,
"density_atomic": 0.10416158245967201,
"volume": 268.81312033484795,
"volume_molar": 5.781537317111687,
"formula_full": "Th1 U1 Be26",
"formula_reduced": "ThUBe26",
"formula_anonymous": "ABC26",
"energy": -118.87930572,
"energy_per_atom": -4.24568949,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.87930572,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1136998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.181000Z",
"spacegroup": 209
},
{
"id": "mp-1095574",
"created_at": "2022-09-04T14:44:22.595581Z",
"structure_string": "Ce4 Ga4 Ag4\n1.0\n-4.682808 0.000000 0.000000\n0.000000 0.000000 -7.476301\n0.000000 -7.790775 0.000000\nCe Ga Ag\n4 4 4\ndirect\n0.750000 0.003404 0.296472 Ce\n0.250000 0.003404 0.703528 Ce\n0.750000 0.496362 0.202900 Ce\n0.250000 0.496362 0.797100 Ce\n0.750000 0.709219 0.584165 Ga\n0.250000 0.709219 0.415835 Ga\n0.750000 0.791655 0.916116 Ga\n0.250000 0.791655 0.083884 Ga\n0.750000 0.326023 0.589527 Ag\n0.250000 0.326023 0.410473 Ag\n0.750000 0.173237 0.910408 Ag\n0.250000 0.173237 0.089592 Ag\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ce-Ga",
"density": 7.736817529777375,
"density_atomic": 0.043995418625882056,
"volume": 272.75567263134354,
"volume_molar": 13.688108780620253,
"formula_full": "Ce4 Ga4 Ag4",
"formula_reduced": "CeGaAg",
"formula_anonymous": "ABC",
"energy": -50.94715728,
"energy_per_atom": -4.24559644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.94715728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0054397,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.771000Z",
"spacegroup": 53
}
]
}