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=formula_anonymous&page=55",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=53",
"results": [
{
"id": "mp-1179655",
"created_at": "2022-09-04T14:47:19.449208Z",
"structure_string": "Sc6\n1.0\n5.000534 0.000000 0.000000\n-2.500267 5.364330 0.913025\n0.000000 2.837134 5.738392\nSc\n6\ndirect\n0.314098 0.333533 0.085680 Sc\n0.666211 0.000000 0.500000 Sc\n0.980566 0.666467 0.914320 Sc\n0.353004 0.333757 0.585608 Sc\n0.666874 0.000000 0.000000 Sc\n0.019247 0.666243 0.414392 Sc\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.1771738168809556,
"density_atomic": 0.04256033767228584,
"volume": 140.97632509873247,
"volume_molar": 14.149654559534799,
"formula_full": "Sc6",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -37.59723033,
"energy_per_atom": -6.266205055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.59723033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0628492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.008000Z",
"spacegroup": 72
},
{
"id": "mp-754417",
"created_at": "2022-09-04T14:47:20.839352Z",
"structure_string": "H1\n1.0\n1.425318 -2.468723 0.000000\n1.425318 2.468723 0.000000\n0.000000 0.000000 0.984187\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24165290766723713,
"density_atomic": 0.14438040216067372,
"volume": 6.926147766835766,
"volume_molar": 4.171023677644464,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.01370105,
"energy_per_atom": -3.01370105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01370105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.507000Z",
"spacegroup": 191
},
{
"id": "mp-21377",
"created_at": "2022-09-04T14:39:22.614306Z",
"structure_string": "Sm1\n1.0\n0.000000 2.577848 2.577848\n2.577848 0.000000 2.577848\n2.577848 2.577848 0.000000\nSm\n1\ndirect\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.287515653525418,
"density_atomic": 0.02918757985594551,
"volume": 34.26114823275764,
"volume_molar": 20.632545725689173,
"formula_full": "Sm1",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"energy": -4.70806701,
"energy_per_atom": -4.70806701,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.70806701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.877000Z",
"spacegroup": 225
},
{
"id": "mp-1179656",
"created_at": "2022-09-04T14:40:23.495741Z",
"structure_string": "Rb8\n1.0\n3.919739 11.978369 0.000000\n-3.919739 11.978369 0.000000\n0.000000 2.229886 7.689872\nRb\n8\ndirect\n0.172361 0.699431 0.559181 Rb\n0.300569 0.827639 0.940819 Rb\n0.536807 0.085571 0.686205 Rb\n0.827639 0.300569 0.440819 Rb\n0.463193 0.914429 0.313795 Rb\n0.914429 0.463193 0.813795 Rb\n0.699431 0.172361 0.059181 Rb\n0.085571 0.536807 0.186205 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.572308148984186,
"density_atomic": 0.011078629606179152,
"volume": 722.1109726006154,
"volume_molar": 54.35817401676761,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.84427258,
"energy_per_atom": -0.9805340725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.84427258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.155000Z",
"spacegroup": 15
},
{
"id": "mp-118",
"created_at": "2022-09-04T14:40:40.578560Z",
"structure_string": "P24\n1.0\n6.024789 0.000000 0.000000\n-2.097822 11.676014 0.000000\n-1.823901 -1.203666 11.818700\nP\n24\ndirect\n0.072058 0.002225 0.186819 P\n0.927942 0.997775 0.813181 P\n0.850467 0.952993 0.312077 P\n0.149533 0.047007 0.687923 P\n0.006843 0.134953 0.309157 P\n0.993157 0.865047 0.690843 P\n0.221928 0.011505 0.366927 P\n0.778072 0.988495 0.633073 P\n0.763585 0.368292 0.057523 P\n0.236415 0.631708 0.942477 P\n0.592584 0.186137 0.034895 P\n0.407416 0.813863 0.965105 P\n0.513831 0.305591 0.165930 P\n0.486169 0.694409 0.834070 P\n0.396884 0.320114 0.985814 P\n0.603116 0.679886 0.014186 P\n0.296883 0.682883 0.463448 P\n0.703117 0.317117 0.536552 P\n0.947588 0.627152 0.367824 P\n0.052412 0.372848 0.632176 P\n0.201284 0.515294 0.359954 P\n0.798716 0.484706 0.640046 P\n0.236519 0.676026 0.277493 P\n0.763481 0.323974 0.722507 P\n",
"nsites": 24,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.484732238196678,
"density_atomic": 0.028867228115267863,
"volume": 831.3926056276395,
"volume_molar": 20.861513741303384,
"formula_full": "P24",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -126.58428697,
"energy_per_atom": -5.274345290416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.58428697,
"band_gap": 3.6113,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039157,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.194000Z",
"spacegroup": 2
},
{
"id": "mp-8634",
"created_at": "2022-09-04T14:44:28.485102Z",
"structure_string": "Mn1\n1.0\n0.000000 1.754756 1.754756\n1.754756 0.000000 1.754756\n1.754756 1.754756 0.000000\nMn\n1\ndirect\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 8.441936758418016,
"density_atomic": 0.09253793334615407,
"volume": 10.806379220285026,
"volume_molar": 6.507753677049546,
"formula_full": "Mn1",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -9.07891724,
"energy_per_atom": -9.07891724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.07891724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0189602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.770000Z",
"spacegroup": 225
},
{
"id": "mp-1983234",
"created_at": "2022-09-04T14:39:14.970650Z",
"structure_string": "U16\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-11.380962 0.000000 0.000000\nU\n16\ndirect\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.000000 U\n0.000000 0.281920 0.500000 U\n0.000000 0.718080 0.500000 U\n0.500000 0.283089 0.122605 U\n0.500000 0.283089 0.877395 U\n0.500000 0.716911 0.877395 U\n0.500000 0.716911 0.122605 U\n0.000000 0.222753 0.248627 U\n0.000000 0.222753 0.751373 U\n0.000000 0.777247 0.751373 U\n0.000000 0.777247 0.248627 U\n0.500000 0.223072 0.376107 U\n0.500000 0.223072 0.623893 U\n0.500000 0.776928 0.623893 U\n0.500000 0.776928 0.376107 U\n",
"nsites": 16,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 338.05664467666554,
"volume_molar": 12.723904369351153,
"formula_full": "U16",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -174.9898787,
"energy_per_atom": -10.93686741875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.9898787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0739257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.421000Z",
"spacegroup": 47
},
{
"id": "mp-632172",
"created_at": "2022-09-04T14:42:43.457821Z",
"structure_string": "H2\n1.0\n-2.228394 2.228394 1.573944\n2.228394 -2.228394 1.573944\n2.228394 2.228394 -1.573944\nH\n2\ndirect\n0.880842 0.880842 0.000000 H\n0.119158 0.119158 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.10707314152038881,
"density_atomic": 0.0639730073292075,
"volume": 31.263185576190356,
"volume_molar": 9.413565207291,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.7841656,
"energy_per_atom": -3.3920828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.7841656,
"band_gap": 9.3289,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.322000Z",
"spacegroup": 139
},
{
"id": "mp-10661",
"created_at": "2022-09-04T14:40:43.658976Z",
"structure_string": "Tm1\n1.0\n-1.970482 1.970482 1.970482\n1.970482 -1.970482 1.970482\n1.970482 1.970482 -1.970482\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.166199288685815,
"density_atomic": 0.032675526389683796,
"volume": 30.603944618187285,
"volume_molar": 18.43012623019683,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -4.33507765,
"energy_per_atom": -4.33507765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.33507765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0308901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.036000Z",
"spacegroup": 229
},
{
"id": "mp-639755",
"created_at": "2022-09-04T14:39:38.685598Z",
"structure_string": "Rb1\n1.0\n-2.918119 2.918119 2.651043\n2.918119 -2.918119 2.651043\n2.918119 2.918119 -2.651043\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.571697138639208,
"density_atomic": 0.01107432437040083,
"volume": 90.29896240648092,
"volume_molar": 54.379306209377646,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96429801,
"energy_per_atom": -0.96429801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96429801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.508000Z",
"spacegroup": 139
},
{
"id": "mp-1079020",
"created_at": "2022-09-04T14:47:15.836084Z",
"structure_string": "Ge8\n1.0\n3.007580 -4.433182 0.000000\n3.007580 4.433182 0.000000\n0.000000 0.000000 5.882045\nGe\n8\ndirect\n0.717993 0.282007 0.500000 Ge\n0.217993 0.782007 0.000000 Ge\n0.282007 0.717993 0.500000 Ge\n0.782007 0.217993 0.000000 Ge\n0.331168 0.331168 0.829096 Ge\n0.668832 0.668832 0.170904 Ge\n0.168832 0.168832 0.329096 Ge\n0.831168 0.831168 0.670904 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.152106319155599,
"density_atomic": 0.05100337312395896,
"volume": 156.8523709315606,
"volume_molar": 11.807338203619878,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -34.47429677,
"energy_per_atom": -4.30928709625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.47429677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034514,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.026000Z",
"spacegroup": 64
},
{
"id": "mp-1182809",
"created_at": "2022-09-04T14:44:13.801366Z",
"structure_string": "Cs4\n1.0\n5.348822 0.000000 0.000000\n0.000000 9.093349 0.000000\n0.000000 0.000000 9.428690\nCs\n4\ndirect\n0.756036 0.408856 0.750000 Cs\n0.243964 0.591144 0.250000 Cs\n0.756036 0.091144 0.250000 Cs\n0.243964 0.908856 0.750000 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9249458771194448,
"density_atomic": 0.008722211817257295,
"volume": 458.59927318960735,
"volume_molar": 69.04373438953775,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.4207228,
"energy_per_atom": -0.8551807,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.4207228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.574000Z",
"spacegroup": 57
}
]
}