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"results": [
{
"id": "jvasp-56177",
"created_at": "2022-09-04T14:37:04.847685Z",
"updated_at": "2022-09-04T14:37:04.847727Z",
"structure_string": "Mn2 Ru1 C6 N6\n1.0\n2.999684 -5.195604 0.000000\n2.999683 5.195604 -0.000000\n0.000000 -0.000000 6.795122\nMn Ru C N\n2 1 6 6\ndirect\n0.333333 0.666666 0.500001 Mn\n0.666666 0.333333 0.499998 Mn\n0.000000 0.000000 0.000000 Ru\n0.259548 0.000001 0.813862 C\n0.740451 -0.000001 0.186138 C\n-0.000001 0.259547 0.813862 C\n0.740452 0.740451 0.813862 C\n0.259547 0.259548 0.186138 C\n0.000001 0.740452 0.186138 C\n0.390217 0.390227 0.316593 N\n0.000010 0.609782 0.316593 N\n-0.000010 0.390217 0.683407 N\n0.609772 -0.000010 0.316593 N\n0.390227 0.000010 0.683407 N\n0.609782 0.609772 0.683407 N\n",
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],
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{
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"updated_at": "2022-09-04T14:36:20.467406Z",
"structure_string": "Mn2 P4 W2 O16\n1.0\n0.000000 4.902325 0.003621\n5.942739 0.000000 0.000000\n0.000000 -0.320557 -9.987684\nMn P W O\n2 4 2 16\ndirect\n0.919146 0.250000 0.277571 Mn\n0.080852 0.750000 0.722429 Mn\n0.388297 0.250000 0.083108 P\n0.856173 0.750000 0.409485 P\n0.143825 0.250000 0.590515 P\n0.611701 0.750000 0.916891 P\n0.421142 0.750000 0.219915 W\n0.578856 0.250000 0.780085 W\n0.747723 0.957161 0.843582 O\n0.747723 0.542839 0.843582 O\n0.302854 0.449739 0.665223 O\n0.302854 0.050261 0.665223 O\n0.843079 0.250000 0.627160 O\n0.826651 0.750000 0.558570 O\n0.173347 0.250000 0.441430 O\n0.252276 0.457161 0.156418 O\n0.697144 0.550261 0.334776 O\n0.697144 0.949739 0.334776 O\n0.305724 0.750000 0.895944 O\n0.252276 0.042839 0.156418 O\n0.694274 0.250000 0.104056 O\n0.694560 0.750000 0.066576 O\n0.156919 0.750000 0.372839 O\n0.305438 0.250000 0.933423 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.08248367224285043,
"volume": 290.9666767665074,
"volume_molar": 7.3010095164888735,
"formula_full": "Mn2 P4 W2 O16",
"formula_reduced": "MnP2WO8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.633124686781609,
"spacegroup": 11
},
{
"id": "jvasp-111905",
"created_at": "2022-09-04T14:38:54.127680Z",
"updated_at": "2022-09-04T14:38:54.127724Z",
"structure_string": "Mn2 P2 O8 F2\n1.0\n4.800121 0.015249 -1.466286\n-1.116801 4.638549 -1.703681\n0.016163 -0.029373 7.095636\nMn P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.439761 0.126479 0.764684 P\n0.560239 0.873522 0.235316 P\n0.231539 0.791445 0.120401 O\n0.706278 0.847229 0.068618 O\n0.658026 0.181854 0.412286 O\n0.646174 0.652723 0.333522 O\n0.293721 0.152772 0.931383 O\n0.341973 0.818147 0.587714 O\n0.353825 0.347277 0.666479 O\n0.768460 0.208556 0.879599 O\n0.142425 0.317154 0.270070 F\n0.857575 0.682847 0.729930 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"P",
"O",
"F"
],
"chemical_system": "F-Mn-O-P",
"density": 3.55191456032565,
"density_atomic": 0.08864652618660603,
"volume": 157.93061050727692,
"volume_molar": 6.793431191339691,
"formula_full": "Mn2 P2 O8 F2",
"formula_reduced": "MnPO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.424003860554188,
"spacegroup": 2
},
{
"id": "jvasp-12652",
"created_at": "2022-09-04T14:37:28.008154Z",
"updated_at": "2022-09-04T14:37:28.008165Z",
"structure_string": "Mn2 P2 H4 O10\n1.0\n4.958484 -0.062332 -1.310580\n-0.825851 4.889623 -1.310580\n0.012123 0.014160 7.405058\nMn P H O\n2 2 4 10\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.577711 0.422288 0.750000 P\n0.422288 0.577712 0.250000 P\n0.887234 0.933090 0.297714 H\n0.933089 0.887234 0.797714 H\n0.112765 0.066910 0.702286 H\n0.066910 0.112766 0.202286 H\n0.270159 0.658143 0.404774 O\n0.658143 0.270159 0.904775 O\n0.729840 0.341856 0.595225 O\n0.340633 0.262445 0.154418 O\n0.262444 0.340633 0.654418 O\n0.659366 0.737555 0.845582 O\n0.098817 0.901183 0.750000 O\n0.901182 0.098817 0.250000 O\n0.341856 0.729841 0.095225 O\n0.737555 0.659367 0.345582 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.109662434364359,
"density_atomic": 0.10036727007309065,
"volume": 179.34133295537305,
"volume_molar": 6.00010417301824,
"formula_full": "Mn2 P2 H4 O10",
"formula_reduced": "MnPH2O5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 15
},
{
"id": "jvasp-30159",
"created_at": "2022-09-04T14:36:50.405576Z",
"updated_at": "2022-09-04T14:36:50.405608Z",
"structure_string": "Mn2 P4 H16 O20\n1.0\n5.273410 0.000000 -0.341566\n0.000000 10.255596 0.000000\n0.132836 0.000000 7.174987\nMn P H O\n2 4 16 20\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.255999 0.716237 0.161253 P\n0.755999 0.783763 0.661253 P\n0.744002 0.283763 0.838746 P\n0.244002 0.216237 0.338747 P\n0.152562 0.106234 0.599202 H\n0.847439 0.893766 0.400798 H\n0.347439 0.606235 0.900799 H\n0.173836 0.450529 0.779606 H\n0.673836 0.049471 0.279606 H\n0.826164 0.549471 0.220394 H\n0.326165 0.950529 0.720394 H\n0.652561 0.393766 0.099201 H\n0.116518 0.274090 0.989663 H\n0.383483 0.774090 0.510338 H\n0.883483 0.725910 0.010337 H\n0.059113 0.576314 0.677099 H\n0.559113 0.923687 0.177099 H\n0.940887 0.423687 0.322900 H\n0.440888 0.076313 0.822901 H\n0.616517 0.225910 0.489662 H\n0.529976 0.172962 0.382964 O\n0.426914 0.643022 0.021672 O\n0.926914 0.856979 0.521672 O\n0.274389 0.034113 0.780458 O\n0.073086 0.143022 0.478327 O\n0.029977 0.327038 0.882964 O\n0.774388 0.465887 0.280457 O\n0.573087 0.356979 0.978327 O\n0.470024 0.827039 0.617036 O\n0.834568 0.831362 0.856730 O\n0.165432 0.168638 0.143270 O\n0.665433 0.331362 0.643270 O\n0.334568 0.668639 0.356730 O\n0.226197 0.363863 0.363335 O\n0.726197 0.136138 0.863335 O\n0.773804 0.636138 0.636665 O\n0.273804 0.863863 0.136665 O\n0.725612 0.965887 0.219541 O\n0.970024 0.672962 0.117036 O\n0.225612 0.534114 0.719542 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
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"P",
"H",
"O"
],
"chemical_system": "H-Mn-O-P",
"density": 2.435808729898229,
"density_atomic": 0.1081073574871004,
"volume": 388.502697469148,
"volume_molar": 5.570518880473584,
"formula_full": "Mn2 P4 H16 O20",
"formula_reduced": "MnP2(H4O5)2",
"formula_anonymous": "AB2C8D10",
"energy_above_hull": 3.240698249589491,
"spacegroup": 14
},
{
"id": "jvasp-56598",
"created_at": "2022-09-04T14:37:14.885605Z",
"updated_at": "2022-09-04T14:37:14.885633Z",
"structure_string": "Mn2 Os1 C6 N6\n1.0\n3.006375 -5.207195 0.000000\n3.006375 5.207195 0.000000\n-0.000000 0.000000 6.795691\nMn Os C N\n2 1 6 6\ndirect\n0.333334 0.666668 0.500002 Mn\n0.666668 0.333334 0.499998 Mn\n0.000000 0.000000 0.000000 Os\n0.739155 0.000004 0.813374 C\n0.260846 -0.000004 0.186626 C\n0.260850 0.260846 0.813374 C\n-0.000004 0.739151 0.813374 C\n0.000004 0.260850 0.186626 C\n0.739152 0.739156 0.186626 C\n0.607257 0.607260 0.316061 N\n0.000003 0.392745 0.316061 N\n0.392745 0.392741 0.683938 N\n-0.000003 0.607256 0.683938 N\n0.392741 -0.000003 0.316061 N\n0.607260 0.000003 0.683938 N\n",
"nsites": 15,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-Mn-N-Os",
"density": 3.5604406664891477,
"density_atomic": 0.07049862510384923,
"volume": 212.77010690497846,
"volume_molar": 8.542210222013521,
"formula_full": "Mn2 Os1 C6 N6",
"formula_reduced": "Mn2Os(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 6.762536598850574,
"spacegroup": 162
},
{
"id": "jvasp-106348",
"created_at": "2022-09-04T14:38:40.440826Z",
"updated_at": "2022-09-04T14:38:40.440857Z",
"structure_string": "Mn1 Ni1 Sn1 Rh1\n1.0\n3.790674 0.000000 2.188547\n1.263558 3.573881 2.188547\n-0.000000 -0.000000 4.377093\nMn Ni Sn Rh\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500001 Sn\n0.750000 0.750000 0.750001 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.387968595625145,
"density_atomic": 0.06745555083623705,
"volume": 59.29830755827442,
"volume_molar": 8.927568873642512,
"formula_full": "Mn1 Ni1 Sn1 Rh1",
"formula_reduced": "MnNiSnRh",
"formula_anonymous": "ABCD",
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"spacegroup": 216
},
{
"id": "jvasp-99952",
"created_at": "2022-09-04T14:36:31.507652Z",
"updated_at": "2022-09-04T14:36:31.507683Z",
"structure_string": "Mn1 Ni1 Sn1 Pd1\n1.0\n3.829735 0.000000 2.211098\n1.276578 3.610709 2.211098\n0.000000 -0.000000 4.422196\nMn Ni Sn Pd\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.750000 0.750001 Ni\n0.500000 0.500000 0.500001 Sn\n0.250000 0.250000 0.250000 Pd\n",
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],
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"formula_full": "Mn1 Ni1 Sn1 Pd1",
"formula_reduced": "MnNiSnPd",
"formula_anonymous": "ABCD",
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"spacegroup": 216
},
{
"id": "jvasp-43200",
"created_at": "2022-09-04T14:36:22.453581Z",
"updated_at": "2022-09-04T14:36:22.453600Z",
"structure_string": "Mn2 Ni2 P4 O16\n1.0\n0.000000 4.679634 -0.018743\n5.649534 0.000000 0.000000\n0.000000 0.018531 -9.687163\nMn Ni P O\n2 2 4 16\ndirect\n0.052926 0.749999 0.272833 Mn\n0.947073 0.250000 0.727167 Mn\n0.561028 0.250000 0.231488 Ni\n0.438971 0.749999 0.768512 Ni\n0.621402 0.749999 0.089863 P\n0.102475 0.250000 0.414209 P\n0.897524 0.749999 0.585791 P\n0.378597 0.250000 0.910137 P\n0.218132 0.041924 0.831703 O\n0.218132 0.458075 0.831703 O\n0.746046 0.534652 0.662054 O\n0.746046 0.965347 0.662054 O\n0.217873 0.749999 0.600226 O\n0.182530 0.250000 0.568958 O\n0.817468 0.749999 0.431041 O\n0.781867 0.541924 0.168296 O\n0.253953 0.465347 0.337945 O\n0.253953 0.034652 0.337945 O\n0.700751 0.250000 0.879336 O\n0.781867 0.958075 0.168296 O\n0.299247 0.749999 0.120663 O\n0.327067 0.250000 0.063422 O\n0.782126 0.250000 0.399773 O\n0.672932 0.749999 0.936578 O\n",
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"elements": [
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],
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"volume": 256.1048448407354,
"volume_molar": 6.426247603953618,
"formula_full": "Mn2 Ni2 P4 O16",
"formula_reduced": "MnNi(PO4)2",
"formula_anonymous": "ABC2D8",
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"spacegroup": 11
},
{
"id": "jvasp-117016",
"created_at": "2022-09-04T14:38:49.207031Z",
"updated_at": "2022-09-04T14:38:49.207059Z",
"structure_string": "Mn2 Ni2 P4 O14\n1.0\n4.511735 -0.007215 -0.002897\n-1.448005 6.391627 0.007667\n0.005433 -0.008442 8.371133\nMn Ni P O\n2 2 4 14\ndirect\n0.538246 0.713491 0.700030 Mn\n0.538242 0.213495 0.200032 Mn\n0.538408 0.713461 0.321490 Ni\n0.538407 0.213459 0.821492 Ni\n0.129488 0.497262 0.998228 P\n0.129489 0.997266 0.498229 P\n0.947163 0.929642 0.998213 P\n0.947163 0.429642 0.498213 P\n0.253187 0.589107 0.506732 O\n0.253191 0.089103 0.006732 O\n0.753810 0.957654 0.851088 O\n0.753808 0.457656 0.351089 O\n0.322912 0.969298 0.351124 O\n0.322912 0.469296 0.851122 O\n0.303960 0.508226 0.154784 O\n0.772661 0.418685 0.654758 O\n0.303962 0.008230 0.654784 O\n0.823511 0.337753 0.006748 O\n0.038250 0.213427 0.456800 O\n0.038250 0.713424 0.956800 O\n0.772661 0.918684 0.154758 O\n0.823512 0.837756 0.506748 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"P",
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],
"chemical_system": "Mn-Ni-O-P",
"density": 3.9577408166433945,
"density_atomic": 0.09116752355776546,
"volume": 241.3140024151296,
"volume_molar": 6.6055767722858665,
"formula_full": "Mn2 Ni2 P4 O14",
"formula_reduced": "MnNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.918422285579937,
"spacegroup": 5
},
{
"id": "jvasp-56722",
"created_at": "2022-09-04T14:38:31.966202Z",
"updated_at": "2022-09-04T14:38:31.966224Z",
"structure_string": "Mn2 Ni2 Bi4 O12\n1.0\n0.000000 5.401818 -0.002844\n5.640827 0.000000 0.000000\n0.000000 -5.366722 -7.643543\nMn Ni Bi O\n2 2 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.260399 0.942068 0.250773 Bi\n0.739601 0.442068 0.249226 Bi\n0.260399 0.557933 0.750773 Bi\n0.739601 0.057933 0.749226 Bi\n0.763201 0.711046 0.458194 O\n0.837863 0.023311 0.252788 O\n0.668292 0.192815 0.459889 O\n0.668292 0.307186 0.959889 O\n0.236799 0.288955 0.541806 O\n0.331708 0.807186 0.540110 O\n0.236799 0.211046 0.041806 O\n0.162137 0.523312 0.247211 O\n0.331708 0.692815 0.040111 O\n0.763201 0.788955 0.958193 O\n0.162137 0.976689 0.747211 O\n0.837863 0.476689 0.752788 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 8.94573887335241,
"density_atomic": 0.08584046117684171,
"volume": 232.99036055733188,
"volume_molar": 7.015503734997024,
"formula_full": "Mn2 Ni2 Bi4 O12",
"formula_reduced": "MnNi(BiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-98856",
"created_at": "2022-09-04T14:36:13.490814Z",
"updated_at": "2022-09-04T14:36:13.490844Z",
"structure_string": "Mn2 Nb4 Zn4 O16\n1.0\n5.255548 0.027531 0.063106\n-0.008589 5.573771 -1.716366\n0.170201 -0.027661 9.817729\nMn Nb Zn O\n2 4 4 16\ndirect\n0.250000 0.376839 -0.000000 Mn\n0.750000 0.623161 -0.000000 Mn\n0.254289 0.945916 0.218754 Nb\n0.745711 0.054083 0.781246 Nb\n0.754289 0.272838 0.218754 Nb\n0.245711 0.727162 0.781246 Nb\n0.263777 0.119553 0.564455 Zn\n0.236223 0.555098 0.435545 Zn\n0.736223 0.880447 0.435545 Zn\n0.763777 0.444902 0.564455 Zn\n0.555666 0.729960 0.650563 O\n0.944334 0.079397 0.349437 O\n0.869582 0.551475 0.383449 O\n0.099992 0.192773 0.124370 O\n0.369581 0.831973 0.383449 O\n0.055666 0.920603 0.650563 O\n0.444334 0.270040 0.349437 O\n0.067385 0.675244 0.106332 O\n0.432615 0.568912 0.893668 O\n0.932615 0.324756 0.893668 O\n0.567385 0.431088 0.106332 O\n0.599992 0.931597 0.124370 O\n0.900008 0.807227 0.875630 O\n0.400008 0.068403 0.875630 O\n0.130418 0.448524 0.616551 O\n0.630419 0.168026 0.616551 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Mn-Nb-O-Zn",
"density": 5.775214736853365,
"density_atomic": 0.09050472501426346,
"volume": 287.2778188752292,
"volume_molar": 6.653951778816981,
"formula_full": "Mn2 Nb4 Zn4 O16",
"formula_reduced": "MnNb2Zn2O8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.8010649877984086,
"spacegroup": 15
}
]
}