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=-decomposes_to&page=28",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=26",
"results": [
{
"id": "mp-1035261",
"created_at": "2022-09-04T14:40:36.121704Z",
"structure_string": "Mg14 Cd1 Cu1 O16\n1.0\n8.703022 0.000000 0.000000\n0.000000 8.540238 0.000000\n0.000000 0.000000 4.294286\nMg Cd Cu O\n14 1 1 16\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.242724 0.500000 Mg\n0.000000 0.757276 0.500000 Mg\n0.500000 0.248412 0.500000 Mg\n0.500000 0.751588 0.500000 Mg\n0.251098 -0.000000 0.500000 Mg\n0.256352 0.500000 0.500000 Mg\n0.748902 -0.000000 0.500000 Mg\n0.743648 0.500000 0.500000 Mg\n0.253713 0.245009 -0.000000 Mg\n0.253713 0.754991 0.000000 Mg\n0.746287 0.245009 -0.000000 Mg\n0.746287 0.754991 -0.000000 Mg\n0.000000 0.500000 0.000000 Cd\n0.000000 -0.000000 0.000000 Cu\n0.263636 -0.000000 0.000000 O\n0.263869 0.500000 0.000000 O\n0.736364 -0.000000 0.000000 O\n0.736131 0.500000 0.000000 O\n0.248003 0.250375 0.500000 O\n0.248003 0.749625 0.500000 O\n0.751997 0.250375 0.500000 O\n0.751997 0.749625 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.231667 -0.000000 O\n0.000000 0.768333 0.000000 O\n0.500000 0.249818 0.000000 O\n0.500000 0.750182 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Cd",
"Cu",
"O"
],
"chemical_system": "Cd-Cu-Mg-O",
"density": 4.017516418757618,
"density_atomic": 0.10025798180763262,
"volume": 319.1765824829704,
"volume_molar": 6.006644709400619,
"formula_full": "Mg14 Cd1 Cu1 O16",
"formula_reduced": "Mg14CdCuO16",
"formula_anonymous": "ABC14D16",
"energy": -195.33818616,
"energy_per_atom": -6.1043183175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.34618616,
"band_gap": 4.2463,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.3333339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.861000Z",
"spacegroup": 47
},
{
"id": "mp-12557",
"created_at": "2022-09-04T14:40:36.272826Z",
"structure_string": "Sr2 Cu2 As2\n1.0\n2.145303 -3.715774 0.000000\n2.145303 3.715774 0.000000\n0.000000 0.000000 8.548289\nSr Cu As\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"As"
],
"chemical_system": "As-Cu-Sr",
"density": 5.509455925749156,
"density_atomic": 0.04402548274298553,
"volume": 136.28470663290943,
"volume_molar": 13.678761446311437,
"formula_full": "Sr2 Cu2 As2",
"formula_reduced": "SrCuAs",
"formula_anonymous": "ABC",
"energy": -25.72972846,
"energy_per_atom": -4.2882880766666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.72972846,
"band_gap": 0.0038,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016046,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.470000Z",
"spacegroup": 194
},
{
"id": "mp-676951",
"created_at": "2022-09-04T14:40:36.281753Z",
"structure_string": "Dy6 Nb2 O14\n1.0\n5.384870 0.000000 0.000000\n0.138158 7.579510 0.000000\n0.277915 3.661048 7.430512\nDy Nb O\n6 2 14\ndirect\n0.041480 0.975887 0.986363 Dy\n0.996012 0.503679 0.981064 Dy\n0.555221 0.900077 0.744739 Dy\n0.490439 0.387335 0.727133 Dy\n0.500429 0.607928 0.209073 Dy\n0.463804 0.103373 0.252306 Dy\n0.987710 0.263172 0.515366 Nb\n0.009055 0.776350 0.466942 Nb\n0.773882 0.754755 0.992902 O\n0.243884 0.138997 0.698349 O\n0.711020 0.443516 0.462587 O\n0.247117 0.256550 0.981250 O\n0.272622 0.731893 0.956120 O\n0.251493 0.846070 0.240324 O\n0.783362 0.639861 0.699201 O\n0.814981 0.050512 0.493811 O\n0.277021 0.893123 0.530812 O\n0.188403 0.348324 0.295888 O\n0.673184 0.367862 0.131333 O\n0.750014 0.149741 0.785092 O\n0.164323 0.518054 0.542577 O\n0.773402 0.881511 0.270603 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Nb",
"O"
],
"chemical_system": "Dy-Nb-O",
"density": 7.582325537655014,
"density_atomic": 0.07254167637203138,
"volume": 303.27393989591,
"volume_molar": 8.301628885877044,
"formula_full": "Dy6 Nb2 O14",
"formula_reduced": "Dy3NbO7",
"formula_anonymous": "AB3C7",
"energy": -198.58095174,
"energy_per_atom": -9.026406897272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.96295174,
"band_gap": 2.816,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.494000Z",
"spacegroup": 1
},
{
"id": "mp-1186907",
"created_at": "2022-09-04T14:40:36.288828Z",
"structure_string": "Re1 As3\n1.0\n0.000000 3.207485 3.207485\n3.207485 0.000000 3.207485\n3.207485 3.207485 0.000000\nRe As\n1 3\ndirect\n0.000000 0.000000 0.000000 Re\n0.750000 0.750000 0.750000 As\n0.250000 0.250000 0.250000 As\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"As"
],
"chemical_system": "As-Re",
"density": 10.34039721934065,
"density_atomic": 0.06060885694901854,
"volume": 65.99695492301763,
"volume_molar": 9.936073806944679,
"formula_full": "Re1 As3",
"formula_reduced": "ReAs3",
"formula_anonymous": "AB3",
"energy": -24.06224173,
"energy_per_atom": -6.0155604325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.06224173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.042000Z",
"spacegroup": 225
},
{
"id": "mp-1173010",
"created_at": "2022-09-04T14:40:36.084356Z",
"structure_string": "Li4 P2 W2 O8 F2\n1.0\n5.527681 0.000000 0.000000\n-0.724454 5.578345 0.000000\n-1.932446 -2.581166 7.119452\nLi P W O F\n4 2 2 8 2\ndirect\n0.263165 0.575343 0.157844 Li\n0.462531 0.142322 0.830360 Li\n0.497379 0.029650 0.463991 Li\n0.821703 0.465597 0.835356 Li\n0.664755 0.357841 0.229554 P\n0.336173 0.631903 0.779734 P\n0.005052 0.999354 0.009671 W\n0.977865 0.988882 0.505925 W\n0.264102 0.798258 0.659362 O\n0.720358 0.203615 0.360981 O\n0.297655 0.342742 0.671839 O\n0.167294 0.658360 0.918767 O\n0.846946 0.337007 0.101024 O\n0.385507 0.247034 0.085133 O\n0.667056 0.639262 0.332227 O\n0.625334 0.726383 0.895618 O\n0.734917 0.129771 0.698104 F\n0.190088 0.858309 0.305921 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"P",
"W",
"O",
"F"
],
"chemical_system": "F-Li-O-P-W",
"density": 4.71530199744698,
"density_atomic": 0.08199315471653405,
"volume": 219.53052132497436,
"volume_molar": 7.34468722519543,
"formula_full": "Li4 P2 W2 O8 F2",
"formula_reduced": "Li2PWO4F",
"formula_anonymous": "ABCD2E4",
"energy": -127.35099375,
"energy_per_atom": -7.075055208333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.05499375,
"band_gap": 0.9673999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9996355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.317000Z",
"spacegroup": 1
},
{
"id": "mp-1205681",
"created_at": "2022-09-04T14:40:36.095847Z",
"structure_string": "K2 Na1 Pd1 F6\n1.0\n-2.995860 2.995860 4.457574\n2.995860 -2.995860 4.457574\n2.995860 2.995860 -4.457574\nK Na Pd F\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Pd\n0.234704 0.234704 0.469409 F\n0.765296 0.765296 0.530591 F\n0.234704 0.765296 0.000000 F\n0.765296 0.234704 0.000000 F\n0.246879 0.246879 0.000000 F\n0.753121 0.753121 0.000000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Pd",
"F"
],
"chemical_system": "F-K-Na-Pd",
"density": 3.337023144946393,
"density_atomic": 0.06248825804564769,
"volume": 160.0300650515013,
"volume_molar": 9.637235775720976,
"formula_full": "K2 Na1 Pd1 F6",
"formula_reduced": "K2NaPdF6",
"formula_anonymous": "ABC2D6",
"energy": -45.21487545,
"energy_per_atom": -4.521487545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.44287545,
"band_gap": 0.5740000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.695000Z",
"spacegroup": 139
},
{
"id": "mp-6019",
"created_at": "2022-09-04T14:40:36.102723Z",
"structure_string": "Sr4 Y2 Nb2 O12\n1.0\n5.963180 0.000000 0.000000\n0.000000 5.858437 0.000000\n0.000000 5.828992 8.336643\nSr Y Nb O\n4 2 2 12\ndirect\n0.460431 0.258631 0.750662 Sr\n0.960431 0.741369 0.749338 Sr\n0.039569 0.258631 0.250662 Sr\n0.539569 0.741369 0.249338 Sr\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.196122 0.733831 0.542517 O\n0.696122 0.266169 0.957483 O\n0.803878 0.266169 0.457483 O\n0.303878 0.733831 0.042517 O\n0.723564 0.646406 0.547118 O\n0.223564 0.353594 0.952882 O\n0.276436 0.353594 0.452882 O\n0.776436 0.646406 0.047118 O\n0.026819 0.180435 0.735263 O\n0.526819 0.819565 0.764737 O\n0.973181 0.819565 0.264737 O\n0.473181 0.180435 0.235263 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Nb",
"O"
],
"chemical_system": "Nb-O-Sr-Y",
"density": 5.166221561680661,
"density_atomic": 0.06867190714722946,
"volume": 291.23990916869263,
"volume_molar": 8.769438639717409,
"formula_full": "Sr4 Y2 Nb2 O12",
"formula_reduced": "Sr2YNbO6",
"formula_anonymous": "ABC2D6",
"energy": -168.69731309999997,
"energy_per_atom": -8.434865655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.4533131,
"band_gap": 3.2249,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006948,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.789000Z",
"spacegroup": 14
},
{
"id": "mp-1212223",
"created_at": "2022-09-04T14:40:36.104605Z",
"structure_string": "Ho14 Ru4 C22\n1.0\n3.427131 0.000000 0.000000\n-1.713565 8.260045 0.000000\n0.000000 0.000000 19.834299\nHo Ru C\n14 4 22\ndirect\n0.897470 0.794939 0.250000 Ho\n0.102530 0.205061 0.750000 Ho\n0.278255 0.556509 0.654996 Ho\n0.721745 0.443491 0.345004 Ho\n0.721745 0.443491 0.154996 Ho\n0.278255 0.556509 0.845004 Ho\n0.338462 0.676924 0.019331 Ho\n0.661538 0.323076 0.980669 Ho\n0.661538 0.323076 0.519331 Ho\n0.338462 0.676924 0.480669 Ho\n0.522653 0.045306 0.127177 Ho\n0.477347 0.954694 0.872823 Ho\n0.477347 0.954694 0.627177 Ho\n0.522653 0.045306 0.372823 Ho\n0.081081 0.162162 0.250000 Ru\n0.918919 0.837838 0.750000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.279072 0.558143 0.250000 C\n0.720928 0.441857 0.750000 C\n0.503386 0.006771 0.250000 C\n0.496614 0.993229 0.750000 C\n0.073940 0.147881 0.579430 C\n0.926060 0.852119 0.420570 C\n0.926060 0.852119 0.079430 C\n0.073940 0.147881 0.920570 C\n0.133202 0.266404 0.622857 C\n0.866798 0.733596 0.377143 C\n0.866798 0.733596 0.122857 C\n0.133202 0.266404 0.877143 C\n0.205932 0.411864 0.063265 C\n0.794068 0.588136 0.936735 C\n0.794068 0.588136 0.563265 C\n0.205932 0.411864 0.436735 C\n0.198545 0.397091 0.250000 C\n0.801455 0.602909 0.750000 C\n0.126906 0.253812 0.084099 C\n0.873094 0.746188 0.915901 C\n0.873094 0.746188 0.584099 C\n0.126906 0.253812 0.415901 C\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ho",
"Ru",
"C"
],
"chemical_system": "C-Ho-Ru",
"density": 8.80596002887837,
"density_atomic": 0.07124100160050989,
"volume": 561.4744192438994,
"volume_molar": 8.453194964565037,
"formula_full": "Ho14 Ru4 C22",
"formula_reduced": "Ho7Ru2C11",
"formula_anonymous": "A2B7C11",
"energy": -315.62417485,
"energy_per_atom": -7.890604371249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -315.62417485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0119145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.336000Z",
"spacegroup": 63
},
{
"id": "mp-504760",
"created_at": "2022-09-04T14:40:36.106271Z",
"structure_string": "Li40 Pb12\n1.0\n10.110055 0.000000 0.000000\n0.000000 10.110055 0.000000\n0.000000 0.000000 10.110055\nLi Pb\n40 12\ndirect\n0.111465 0.111465 0.111465 Li\n0.888535 0.111465 0.888535 Li\n0.888535 0.888535 0.111465 Li\n0.111465 0.888535 0.888535 Li\n0.605351 0.605351 0.605351 Li\n0.394649 0.605351 0.394649 Li\n0.394649 0.394649 0.605351 Li\n0.605351 0.394649 0.394649 Li\n0.818634 0.818634 0.818634 Li\n0.181366 0.818634 0.181366 Li\n0.181366 0.181366 0.818634 Li\n0.818634 0.181366 0.181366 Li\n0.318026 0.318026 0.318026 Li\n0.681974 0.318026 0.681974 Li\n0.681974 0.681974 0.318026 Li\n0.318026 0.681974 0.681974 Li\n0.349081 0.000000 0.000000 Li\n0.650919 0.000000 0.000000 Li\n0.000000 0.000000 0.349081 Li\n0.000000 0.000000 0.650919 Li\n0.000000 0.650919 0.000000 Li\n0.000000 0.349081 0.000000 Li\n0.858899 0.500000 0.500000 Li\n0.141101 0.500000 0.500000 Li\n0.500000 0.500000 0.858899 Li\n0.500000 0.500000 0.141101 Li\n0.500000 0.141101 0.500000 Li\n0.500000 0.858899 0.500000 Li\n0.810416 0.810416 0.531229 Li\n0.189584 0.531229 0.189584 Li\n0.189584 0.468771 0.810416 Li\n0.468771 0.189584 0.810416 Li\n0.531229 0.189584 0.189584 Li\n0.810416 0.189584 0.468771 Li\n0.189584 0.810416 0.468771 Li\n0.531229 0.810416 0.810416 Li\n0.810416 0.531229 0.810416 Li\n0.468771 0.810416 0.189584 Li\n0.810416 0.468771 0.189584 Li\n0.189584 0.189584 0.531229 Li\n0.313409 0.313409 0.032999 Pb\n0.686591 0.032999 0.686591 Pb\n0.686591 0.967001 0.313409 Pb\n0.967001 0.686591 0.313409 Pb\n0.032999 0.686591 0.686591 Pb\n0.313409 0.686591 0.967001 Pb\n0.686591 0.313409 0.967001 Pb\n0.032999 0.313409 0.313409 Pb\n0.313409 0.032999 0.313409 Pb\n0.967001 0.313409 0.686591 Pb\n0.313409 0.967001 0.686591 Pb\n0.686591 0.686591 0.032999 Pb\n",
"nsites": 52,
"nelements": 2,
"elements": [
"Li",
"Pb"
],
"chemical_system": "Li-Pb",
"density": 4.441532726760693,
"density_atomic": 0.05032024987181916,
"volume": 1033.381196088248,
"volume_molar": 11.967628887654984,
"formula_full": "Li40 Pb12",
"formula_reduced": "Li10Pb3",
"formula_anonymous": "A3B10",
"energy": -132.41869595,
"energy_per_atom": -2.546513383653846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.41869595,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0110023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.373000Z",
"spacegroup": 215
},
{
"id": "mp-1095488",
"created_at": "2022-09-04T14:40:36.109497Z",
"structure_string": "U2 B8 Os2\n1.0\n3.671297 -4.703081 0.000000\n3.671297 4.703081 0.000000\n0.000000 0.000000 3.541508\nU B Os\n2 8 2\ndirect\n0.299722 0.700278 0.000000 U\n0.700278 0.299722 0.000000 U\n0.383997 0.064417 0.500000 B\n0.616003 0.935583 0.500000 B\n0.064417 0.383997 0.500000 B\n0.935583 0.616003 0.500000 B\n0.380177 0.380177 0.500000 B\n0.619823 0.619823 0.500000 B\n0.092909 0.907091 0.500000 B\n0.907091 0.092909 0.500000 B\n0.188848 0.188848 0.000000 Os\n0.811152 0.811152 0.000000 Os\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"B",
"Os"
],
"chemical_system": "B-Os-U",
"density": 12.803929369188381,
"density_atomic": 0.09812079204643338,
"volume": 122.29823821969639,
"volume_molar": 6.137476710491862,
"formula_full": "U2 B8 Os2",
"formula_reduced": "UB4Os",
"formula_anonymous": "ABC4",
"energy": -104.36995801,
"energy_per_atom": -8.697496500833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.36995801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2048093,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.161000Z",
"spacegroup": 65
},
{
"id": "mp-1035518",
"created_at": "2022-09-04T14:40:36.123183Z",
"structure_string": "Mg14 Cd1 Fe1 O16\n1.0\n8.631199 0.000000 0.000000\n0.000000 8.602543 0.000000\n0.000000 0.000000 4.323181\nMg Cd Fe O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.244874 0.500000 Mg\n0.000000 0.755126 0.500000 Mg\n0.500000 0.248806 0.500000 Mg\n0.500000 0.751194 0.500000 Mg\n0.250159 0.000000 0.500000 Mg\n0.255404 0.500000 0.500000 Mg\n0.749841 0.000000 0.500000 Mg\n0.744596 0.500000 0.500000 Mg\n0.254055 0.247281 0.000000 Mg\n0.254055 0.752719 0.000000 Mg\n0.745945 0.247281 0.000000 Mg\n0.745945 0.752719 0.000000 Mg\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Fe\n0.258925 0.000000 0.000000 O\n0.265156 0.500000 0.000000 O\n0.741075 0.000000 0.000000 O\n0.734844 0.500000 0.000000 O\n0.248609 0.250575 0.500000 O\n0.248609 0.749425 0.500000 O\n0.751391 0.250575 0.500000 O\n0.751391 0.749425 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.236500 0.000000 O\n0.000000 0.763500 0.000000 O\n0.500000 0.248663 0.000000 O\n0.500000 0.751337 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Cd",
"Fe",
"O"
],
"chemical_system": "Cd-Fe-Mg-O",
"density": 3.9548908589898697,
"density_atomic": 0.09968930718139696,
"volume": 320.99731560750104,
"volume_molar": 6.040909431782863,
"formula_full": "Mg14 Cd1 Fe1 O16",
"formula_reduced": "Mg14CdFeO16",
"formula_anonymous": "ABC14D16",
"energy": -201.04520238,
"energy_per_atom": -6.282662574375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.79720238,
"band_gap": 3.4883,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.067000Z",
"spacegroup": 47
},
{
"id": "mp-1226106",
"created_at": "2022-09-04T14:40:35.147678Z",
"structure_string": "Co2 Rh2 S8\n1.0\n5.631335 0.000000 0.000000\n0.000000 5.627576 0.000000\n0.000000 0.006426 5.638211\nCo Rh S\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.892676 0.607782 0.881379 S\n0.392676 0.892218 0.118621 S\n0.113768 0.113240 0.603509 S\n0.613768 0.386760 0.396491 S\n0.107324 0.392218 0.118621 S\n0.607324 0.107782 0.881379 S\n0.886232 0.886760 0.396491 S\n0.386232 0.613240 0.603509 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Rh",
"S"
],
"chemical_system": "Co-Rh-S",
"density": 5.392011518183274,
"density_atomic": 0.06715945899707494,
"volume": 178.67922373410792,
"volume_molar": 8.966928635119423,
"formula_full": "Co2 Rh2 S8",
"formula_reduced": "CoRhS4",
"formula_anonymous": "ABC4",
"energy": -70.51162803,
"energy_per_atom": -5.8759690025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.48762803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4109599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.363000Z",
"spacegroup": 14
}
]
}