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=is_magnetic&page=117",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=115",
"results": [
{
"id": "mp-560891",
"created_at": "2022-09-04T14:39:18.804238Z",
"structure_string": "Sn2 P4 Cl16 O6\n1.0\n8.980355 0.000000 0.000000\n3.849486 8.403003 0.000000\n3.546618 2.547717 10.141285\nSn P Cl O\n2 4 16 6\ndirect\n0.909889 0.795078 0.231593 Sn\n0.090111 0.204922 0.768407 Sn\n0.792447 0.204676 0.064046 P\n0.222208 0.806856 0.363629 P\n0.207553 0.795324 0.935954 P\n0.777792 0.193144 0.636371 P\n0.543692 0.265455 0.089045 Cl\n0.788016 0.207228 0.450794 Cl\n0.041101 0.506156 0.292805 Cl\n0.456308 0.734545 0.910955 Cl\n0.240001 0.187176 0.919611 Cl\n0.285510 0.001402 0.256877 Cl\n0.313834 0.168842 0.582921 Cl\n0.813701 0.396370 0.094917 Cl\n0.413036 0.612668 0.317095 Cl\n0.186299 0.603630 0.905083 Cl\n0.714490 0.998598 0.743123 Cl\n0.586964 0.387332 0.682905 Cl\n0.686166 0.831158 0.417079 Cl\n0.759999 0.812824 0.080389 Cl\n0.211984 0.792772 0.549206 Cl\n0.958899 0.493844 0.707195 Cl\n0.940992 0.182348 0.652340 O\n0.856689 0.058105 0.173179 O\n0.143311 0.941895 0.826821 O\n0.059008 0.817652 0.347660 O\n0.132368 0.806215 0.077746 O\n0.867632 0.193785 0.922254 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sn",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-O-P-Sn",
"density": 2.223131992710024,
"density_atomic": 0.03658786095133435,
"volume": 765.2811416672569,
"volume_molar": 16.459395557477578,
"formula_full": "Sn2 P4 Cl16 O6",
"formula_reduced": "SnP2Cl8O3",
"formula_anonymous": "AB2C3D8",
"energy": -136.01698546,
"energy_per_atom": -4.857749480714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.07098546,
"band_gap": 3.0676,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.467000Z",
"spacegroup": 2
},
{
"id": "mp-618929",
"created_at": "2022-09-04T14:39:18.804833Z",
"structure_string": "Ni16 Ge8 P8\n1.0\n5.010471 0.000000 0.000000\n0.000000 6.004618 0.000000\n0.000000 0.000000 14.077010\nNi Ge P\n16 8 8\ndirect\n0.991182 0.792122 0.426063 Ni\n0.491182 0.707878 0.426063 Ni\n0.493342 0.218349 0.808691 Ni\n0.506658 0.281651 0.308691 Ni\n0.491182 0.207878 0.073937 Ni\n0.506658 0.781651 0.191309 Ni\n0.006658 0.718349 0.191309 Ni\n0.991182 0.292122 0.073937 Ni\n0.008818 0.707878 0.926063 Ni\n0.993342 0.281651 0.808691 Ni\n0.508818 0.292122 0.573937 Ni\n0.508818 0.792122 0.926063 Ni\n0.993342 0.781651 0.691309 Ni\n0.493342 0.718349 0.691309 Ni\n0.006658 0.218349 0.308691 Ni\n0.008818 0.207878 0.573937 Ni\n0.702280 0.407094 0.940181 Ge\n0.797720 0.907094 0.059819 Ge\n0.797720 0.407094 0.440181 Ge\n0.702280 0.907094 0.559819 Ge\n0.202280 0.092906 0.940181 Ge\n0.297720 0.092906 0.440181 Ge\n0.297720 0.592906 0.059819 Ge\n0.202280 0.592906 0.559819 Ge\n0.292386 0.066910 0.683556 P\n0.707614 0.433090 0.183556 P\n0.792386 0.433090 0.683556 P\n0.792386 0.933090 0.816444 P\n0.207614 0.566910 0.316444 P\n0.292386 0.566910 0.816444 P\n0.207614 0.066910 0.183556 P\n0.707614 0.933090 0.316444 P\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ni",
"Ge",
"P"
],
"chemical_system": "Ge-Ni-P",
"density": 6.931992861179559,
"density_atomic": 0.07555715948227276,
"volume": 423.5204210860765,
"volume_molar": 7.970311220358828,
"formula_full": "Ni16 Ge8 P8",
"formula_reduced": "Ni2GeP",
"formula_anonymous": "ABC2",
"energy": -184.31979959,
"energy_per_atom": -5.7599937371875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.31979959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2348713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.025000Z",
"spacegroup": 61
},
{
"id": "mp-567969",
"created_at": "2022-09-04T14:39:07.725787Z",
"structure_string": "Ho1 B2 Rh2 C1\n1.0\n-1.903097 1.903097 5.139751\n1.903097 -1.903097 5.139751\n1.903097 1.903097 -5.139751\nHo B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.645212 0.645212 0.000000 B\n0.354788 0.354788 0.000000 B\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ho-Rh",
"density": 9.017962450622596,
"density_atomic": 0.08058001243226948,
"volume": 74.4601523242904,
"volume_molar": 7.473491971798634,
"formula_full": "Ho1 B2 Rh2 C1",
"formula_reduced": "HoB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy": -45.39678505,
"energy_per_atom": -7.566130841666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.39678505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.757000Z",
"spacegroup": 139
},
{
"id": "mp-2033",
"created_at": "2022-09-04T14:39:19.016620Z",
"structure_string": "Ni6 N2\n1.0\n2.300533 -3.984640 0.000000\n2.300533 3.984640 0.000000\n0.000000 0.000000 4.293909\nNi N\n6 2\ndirect\n0.000000 0.670591 0.500000 Ni\n0.000000 0.329409 0.000000 Ni\n0.670591 0.670591 0.000000 Ni\n0.670591 0.000000 0.500000 Ni\n0.329409 0.329409 0.500000 Ni\n0.329409 0.000000 0.000000 Ni\n0.666667 0.333333 0.750000 N\n0.333333 0.666667 0.250000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"N"
],
"chemical_system": "N-Ni",
"density": 8.019197167851665,
"density_atomic": 0.10162243509402283,
"volume": 78.72277408623658,
"volume_molar": 5.925995332062463,
"formula_full": "Ni6 N2",
"formula_reduced": "Ni3N",
"formula_anonymous": "AB3",
"energy": -51.83055408,
"energy_per_atom": -6.47881926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.10855408,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011151,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.438000Z",
"spacegroup": 182
},
{
"id": "mp-1217518",
"created_at": "2022-09-04T14:39:13.971605Z",
"structure_string": "Te1 H4 C2 N6 Cl6\n1.0\n7.397125 0.086329 0.300923\n3.265653 6.274745 1.057328\n0.115351 -0.510144 8.320203\nTe H C N Cl\n1 4 2 6 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.402015 0.213518 0.852421 H\n0.597985 0.786482 0.147580 H\n0.316061 0.483710 0.892027 H\n0.683939 0.516290 0.107973 H\n0.304543 0.423960 0.662057 C\n0.695457 0.576040 0.337943 C\n0.349854 0.370678 0.809574 N\n0.650146 0.629322 0.190426 N\n0.234932 0.572933 0.532199 N\n0.765068 0.427067 0.467801 N\n0.293106 0.372268 0.509892 N\n0.706894 0.627732 0.490108 N\n0.847324 0.389026 0.885563 Cl\n0.152676 0.610974 0.114437 Cl\n0.679353 0.096911 0.177293 Cl\n0.320647 0.903089 0.822707 Cl\n0.825696 0.925921 0.776400 Cl\n0.174304 0.074079 0.223600 Cl\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Te",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Te",
"density": 1.9406117016642555,
"density_atomic": 0.04908057565294439,
"volume": 387.11852392179867,
"volume_molar": 12.269906536107891,
"formula_full": "Te1 H4 C2 N6 Cl6",
"formula_reduced": "TeH4C2(NCl)6",
"formula_anonymous": "AB2C4D6E6",
"energy": -100.82935557,
"energy_per_atom": -5.306808187894737,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.97935557,
"band_gap": 0.0494,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003791,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.256000Z",
"spacegroup": 2
},
{
"id": "mp-1079242",
"created_at": "2022-09-04T14:39:07.727949Z",
"structure_string": "Dy3 Cd3 Ga3\n1.0\n3.632426 -6.291546 0.000000\n3.632426 6.291546 0.000000\n0.000000 0.000000 4.397992\nDy Cd Ga\n3 3 3\ndirect\n0.422659 0.422659 0.500000 Dy\n0.577341 0.000000 0.500000 Dy\n0.000000 0.577341 0.500000 Dy\n0.752506 0.752506 0.000000 Cd\n0.247494 0.000000 0.000000 Cd\n0.000000 0.247494 0.000000 Cd\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"Ga"
],
"chemical_system": "Cd-Dy-Ga",
"density": 8.540629660450582,
"density_atomic": 0.04477173524263873,
"volume": 201.01968242295814,
"volume_molar": 13.45076470090613,
"formula_full": "Dy3 Cd3 Ga3",
"formula_reduced": "DyCdGa",
"formula_anonymous": "ABC",
"energy": -30.28999064,
"energy_per_atom": -3.3655545155555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.28999064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003875,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.877000Z",
"spacegroup": 189
},
{
"id": "mp-755426",
"created_at": "2022-09-04T14:39:13.976061Z",
"structure_string": "Nd1 Sm1 O2\n1.0\n5.949495 -1.762819 0.000000\n5.949495 1.762819 0.000000\n5.427177 0.000000 3.008284\nNd Sm O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sm\n0.256736 0.256736 0.256736 O\n0.743264 0.743264 0.743264 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Sm",
"O"
],
"chemical_system": "Nd-O-Sm",
"density": 8.594679484852417,
"density_atomic": 0.06339037707531903,
"volume": 63.10106020109787,
"volume_molar": 9.500086665906132,
"formula_full": "Nd1 Sm1 O2",
"formula_reduced": "NdSmO2",
"formula_anonymous": "ABC2",
"energy": -31.77275597,
"energy_per_atom": -7.9431889925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.39875597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.390000Z",
"spacegroup": 166
},
{
"id": "mp-1046228",
"created_at": "2022-09-04T14:39:07.739991Z",
"structure_string": "Mg1 Sn4 O8\n1.0\n1.612708 7.906606 0.000000\n-1.612708 7.906606 0.000000\n0.000000 6.018143 7.762855\nMg Sn O\n1 4 8\ndirect\n0.690353 0.690353 0.798638 Mg\n0.370424 0.370424 0.429488 Sn\n0.898523 0.898523 0.789942 Sn\n0.148825 0.148825 0.157550 Sn\n0.665569 0.665569 0.490574 Sn\n0.135616 0.135616 0.395011 O\n0.533704 0.533704 0.265235 O\n0.512562 0.512562 0.719068 O\n0.855384 0.855384 0.581473 O\n0.835923 0.835923 0.326675 O\n0.171315 0.171315 0.929846 O\n0.195533 0.195533 0.613377 O\n0.748661 0.748661 0.094330 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.260371665052036,
"density_atomic": 0.06566682891026336,
"volume": 197.96905402216206,
"volume_molar": 9.170750072657723,
"formula_full": "Mg1 Sn4 O8",
"formula_reduced": "Mg(SnO2)4",
"formula_anonymous": "AB4C8",
"energy": -83.59759885,
"energy_per_atom": -6.430584526923076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.10159885,
"band_gap": 0.3079,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.918000Z",
"spacegroup": 8
},
{
"id": "mp-1080260",
"created_at": "2022-09-04T14:39:06.754050Z",
"structure_string": "Ce2 Se4\n1.0\n-3.350514 3.350514 5.673823\n3.350514 -3.350514 5.673823\n3.350514 3.350514 -5.673823\nCe Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Ce\n0.875000 0.368202 0.993202 Se\n0.375000 0.881798 0.006798 Se\n0.118202 0.125000 0.493202 Se\n0.631798 0.625000 0.506798 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 3.884983426563981,
"density_atomic": 0.023550091653143125,
"volume": 254.77607851259495,
"volume_molar": 25.571623451394302,
"formula_full": "Ce2 Se4",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -34.31502165,
"energy_per_atom": -5.719170275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.42702165,
"band_gap": 0.5335,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.742000Z",
"spacegroup": 122
},
{
"id": "mp-18500",
"created_at": "2022-09-04T14:39:13.991766Z",
"structure_string": "K6 Sn8 Au2\n1.0\n6.666758 0.000000 0.000000\n0.000000 6.944967 0.000000\n0.000000 0.000000 12.883165\nK Sn Au\n6 8 2\ndirect\n0.558209 0.000000 0.000000 K\n0.441791 0.500000 0.500000 K\n0.828016 0.500000 0.746852 K\n0.828016 0.500000 0.253148 K\n0.171984 0.000000 0.753148 K\n0.171984 0.000000 0.246852 K\n0.332790 0.500000 0.878057 Sn\n0.332790 0.500000 0.121943 Sn\n0.040061 0.268299 0.000000 Sn\n0.040061 0.731701 0.000000 Sn\n0.959939 0.768299 0.500000 Sn\n0.959939 0.231701 0.500000 Sn\n0.667210 0.000000 0.378057 Sn\n0.667210 0.000000 0.621943 Sn\n0.687282 0.500000 0.000000 Au\n0.312718 0.000000 0.500000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sn",
"Au"
],
"chemical_system": "Au-K-Sn",
"density": 4.393437967044501,
"density_atomic": 0.026823320352494254,
"volume": 596.4958770852613,
"volume_molar": 22.45113834104439,
"formula_full": "K6 Sn8 Au2",
"formula_reduced": "K3Sn4Au",
"formula_anonymous": "AB3C4",
"energy": -50.78982552,
"energy_per_atom": -3.174364095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.78982552,
"band_gap": 0.3972000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002397,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.268000Z",
"spacegroup": 59
},
{
"id": "mp-975641",
"created_at": "2022-09-04T14:39:07.752645Z",
"structure_string": "Pr3 Cd1\n1.0\n-2.481509 2.481509 5.124035\n2.481509 -2.481509 5.124035\n2.481509 2.481509 -5.124035\nPr Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.040569885019982,
"density_atomic": 0.031692478410580864,
"volume": 126.21291235666057,
"volume_molar": 19.00179809853383,
"formula_full": "Pr3 Cd1",
"formula_reduced": "Pr3Cd",
"formula_anonymous": "AB3",
"energy": -15.67561865,
"energy_per_atom": -3.9189046625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.67561865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.486000Z",
"spacegroup": 139
},
{
"id": "mp-1173297",
"created_at": "2022-09-04T14:39:23.598153Z",
"structure_string": "Sm2 Pa2 O8\n1.0\n-2.734031 2.734031 5.425666\n2.734031 -2.734031 5.425666\n2.734031 2.734031 -5.425666\nSm Pa O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Sm\n0.500000 0.500000 0.000000 Pa\n0.250000 0.750000 0.500000 Pa\n0.608792 0.125000 0.983792 O\n0.875000 0.391208 0.016208 O\n0.375000 0.391208 0.516208 O\n0.141208 0.625000 0.016208 O\n0.375000 0.858792 0.983792 O\n0.875000 0.858792 0.483792 O\n0.141208 0.125000 0.516208 O\n0.608792 0.625000 0.483792 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Pa",
"O"
],
"chemical_system": "O-Pa-Sm",
"density": 9.118072321221234,
"density_atomic": 0.07397097280889255,
"volume": 162.22579674600954,
"volume_molar": 8.141221524230161,
"formula_full": "Sm2 Pa2 O8",
"formula_reduced": "SmPaO4",
"formula_anonymous": "ABC4",
"energy": -117.77786021,
"energy_per_atom": -9.814821684166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.28186021,
"band_gap": 2.7863,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.648000Z",
"spacegroup": 141
}
]
}