HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=361",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=359",
"results": [
{
"id": "jvasp-51056",
"created_at": "2022-09-04T14:38:36.232029Z",
"updated_at": "2022-09-04T14:38:36.232061Z",
"structure_string": "Cu4 As4 Pb4 S12\n1.0\n0.000000 8.125979 -0.000018\n7.698503 0.000000 0.000000\n0.000000 -0.000019 -8.793964\nCu As Pb S\n4 4 4 12\ndirect\n0.276733 0.759958 0.569198 Cu\n0.723264 0.259959 0.069198 Cu\n0.723264 0.740041 0.069198 Cu\n0.276733 0.240041 0.569198 Cu\n0.935818 0.000000 0.424195 As\n0.503502 0.500000 0.339754 As\n0.496496 0.000000 0.839754 As\n0.064180 0.500000 0.924195 As\n0.556083 0.500000 0.808856 Pb\n0.443915 0.000000 0.308856 Pb\n0.078430 0.000000 -0.000034 Pb\n0.921568 0.500000 0.499966 Pb\n0.221677 0.500000 0.702776 S\n0.247674 0.000000 0.716780 S\n0.559459 0.274985 0.506652 S\n0.440539 0.774985 0.006652 S\n0.559459 0.725015 0.506652 S\n0.893621 0.729309 0.855428 S\n0.893621 0.270691 0.855428 S\n0.106378 0.229309 0.355428 S\n0.440539 0.225015 0.006652 S\n0.752323 0.500000 0.216780 S\n0.778321 0.000000 0.202776 S\n0.106378 0.770690 0.355428 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"As",
"Pb",
"S"
],
"chemical_system": "As-Cu-Pb-S",
"density": 5.334941604810524,
"density_atomic": 0.04362591805912328,
"volume": 550.1316893199682,
"volume_molar": 13.804043623422656,
"formula_full": "Cu4 As4 Pb4 S12",
"formula_reduced": "CuAsPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3862905033333333,
"spacegroup": 31
},
{
"id": "jvasp-38014",
"created_at": "2022-09-04T14:38:35.180339Z",
"updated_at": "2022-09-04T14:38:35.180355Z",
"structure_string": "Er4 Cr4 B16\n1.0\n3.436703 0.000000 0.000000\n0.000000 5.891498 0.000000\n0.000000 0.000000 11.382200\nEr Cr B\n4 4 16\ndirect\n0.000000 0.124601 0.599394 Er\n0.000000 0.875406 0.900605 Er\n0.000000 0.624601 0.400606 Er\n0.000000 0.375406 0.099395 Er\n0.000000 0.122288 0.329465 Cr\n0.000000 0.877722 0.170536 Cr\n0.000000 0.622288 0.670535 Cr\n0.000000 0.377722 0.829464 Cr\n0.500000 0.613666 0.797117 B\n0.500000 0.386345 0.702881 B\n0.500000 0.136557 0.782381 B\n0.500000 0.863449 0.717620 B\n0.500000 0.636557 0.217619 B\n0.500000 0.363448 0.282380 B\n0.500000 0.218639 0.934291 B\n0.500000 0.024956 0.057802 B\n0.500000 0.718639 0.065709 B\n0.500000 0.281368 0.434288 B\n0.500000 0.886345 0.297119 B\n0.500000 0.975054 0.442196 B\n0.500000 0.524956 0.942198 B\n0.500000 0.475054 0.557804 B\n0.500000 0.781368 0.565712 B\n0.500000 0.113666 0.202883 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Cr",
"B"
],
"chemical_system": "B-Cr-Er",
"density": 7.565592725892502,
"density_atomic": 0.10413993269440164,
"volume": 230.45914644892213,
"volume_molar": 5.782739247270263,
"formula_full": "Er4 Cr4 B16",
"formula_reduced": "ErCrB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.332437955555556,
"spacegroup": 55
},
{
"id": "jvasp-26268",
"created_at": "2022-09-04T14:38:36.231292Z",
"updated_at": "2022-09-04T14:38:36.231319Z",
"structure_string": "Sr4 Cr4 O16\n1.0\n0.000000 6.775595 0.014123\n7.425831 0.000000 0.000000\n0.000000 -5.159387 -6.935352\nSr Cr O\n4 4 16\ndirect\n0.331708 0.342259 0.228706 Sr\n0.668291 0.842259 0.271294 Sr\n0.668291 0.657741 0.771294 Sr\n0.331708 0.157741 0.728706 Sr\n0.814478 0.334914 0.198289 Cr\n0.185521 0.834914 0.301712 Cr\n0.185521 0.665086 0.801711 Cr\n0.814477 0.165086 0.698289 Cr\n0.377912 0.659903 0.379975 O\n0.622087 0.159903 0.120025 O\n0.831425 0.101257 0.523211 O\n0.168574 0.601257 0.976789 O\n0.168574 0.898742 0.476789 O\n0.831425 0.398743 0.023212 O\n0.700917 0.003819 0.757997 O\n0.098710 0.219880 0.881360 O\n0.299081 0.996181 0.242003 O\n0.700918 0.496181 0.257997 O\n0.377912 0.840097 0.879975 O\n0.901289 0.719880 0.618640 O\n0.901289 0.780120 0.118640 O\n0.098710 0.280120 0.381360 O\n0.299081 0.503819 0.742003 O\n0.622087 0.340097 0.620025 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sr",
"density": 3.881763127801224,
"density_atomic": 0.06888492462150218,
"volume": 348.40714614803375,
"volume_molar": 8.742320316222296,
"formula_full": "Sr4 Cr4 O16",
"formula_reduced": "SrCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1310062850000007,
"spacegroup": 14
},
{
"id": "jvasp-57134",
"created_at": "2022-09-04T14:38:31.564796Z",
"updated_at": "2022-09-04T14:38:31.564819Z",
"structure_string": "Na4 Ca2 P4 O14\n1.0\n5.422774 -0.002673 -0.001068\n0.133083 7.075323 0.056314\n0.131904 3.160811 8.324604\nNa Ca P O\n4 2 4 14\ndirect\n0.237637 0.868550 0.552900 Na\n0.726172 0.213821 0.013019 Na\n0.762361 0.131450 0.447099 Na\n0.273826 0.786179 0.986980 Na\n0.236588 0.246447 0.717784 Ca\n0.763410 0.753553 0.282214 Ca\n0.244194 0.119809 0.171462 P\n0.755804 0.880191 0.828537 P\n0.290070 0.429734 0.311869 P\n0.709928 0.570267 0.688130 P\n0.285055 0.131145 -0.001793 O\n0.273342 0.356922 0.155638 O\n0.982074 0.059768 0.233267 O\n0.843897 0.365589 0.748316 O\n0.565792 0.447175 0.337364 O\n0.834829 0.733143 0.545650 O\n0.714943 0.868855 0.001792 O\n0.017924 0.940232 0.766732 O\n0.726656 0.643078 0.844360 O\n0.156101 0.634411 0.251683 O\n0.447429 0.000074 0.286539 O\n0.552570 -0.000073 0.713460 O\n0.434206 0.552826 0.662634 O\n0.165169 0.266857 0.454349 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Ca",
"P",
"O"
],
"chemical_system": "Ca-Na-O-P",
"density": 2.7116411839106056,
"density_atomic": 0.07536844952734365,
"volume": 318.4356338827537,
"volume_molar": 7.990267542674033,
"formula_full": "Na4 Ca2 P4 O14",
"formula_reduced": "Na2CaP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.9144653266666665,
"spacegroup": 2
},
{
"id": "jvasp-54600",
"created_at": "2022-09-04T14:38:31.064629Z",
"updated_at": "2022-09-04T14:38:31.064656Z",
"structure_string": "Cu2 Sb2 Mo4 O16\n1.0\n-4.915130 0.000339 -0.000047\n-0.000367 -5.596019 0.001571\n2.457375 2.098667 10.769922\nCu Sb Mo O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.500000 Cu\n0.499999 -0.000000 0.500000 Cu\n0.198293 0.749998 -0.000002 Sb\n0.801707 0.250002 0.000002 Sb\n0.605366 0.719772 0.725428 Mo\n0.879922 0.780230 0.274566 Mo\n0.394633 0.280227 0.274571 Mo\n0.120077 0.219770 0.725434 Mo\n0.211730 0.210800 0.579182 O\n0.433315 0.512427 0.792778 O\n0.632534 0.289198 0.420818 O\n0.367465 0.710802 0.579181 O\n0.120377 0.460298 0.322652 O\n0.962245 0.620507 0.104842 O\n0.566685 0.487572 0.207222 O\n0.142600 0.120513 0.104842 O\n0.879622 0.539701 0.677348 O\n0.037755 0.379492 0.895157 O\n0.640542 0.987574 0.207225 O\n0.788269 0.789199 0.420818 O\n0.359457 0.012425 0.792774 O\n0.202269 0.960296 0.322650 O\n0.797731 0.039704 0.677350 O\n0.857399 0.879487 0.895157 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"Sb",
"Mo",
"O"
],
"chemical_system": "Cu-Mo-O-Sb",
"density": 5.663393162039869,
"density_atomic": 0.08101429937490578,
"volume": 296.2439987160342,
"volume_molar": 7.433429414888405,
"formula_full": "Cu2 Sb2 Mo4 O16",
"formula_reduced": "CuSb(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.148314695833333,
"spacegroup": 15
},
{
"id": "jvasp-44586",
"created_at": "2022-09-04T14:38:31.944730Z",
"updated_at": "2022-09-04T14:38:31.944752Z",
"structure_string": "Mn6 Co2 O16\n1.0\n2.830596 -4.902735 -0.000000\n2.830596 4.902735 -0.000000\n-0.000000 0.000000 8.583294\nMn Co O\n6 2 16\ndirect\n0.167204 0.334407 0.208870 Mn\n0.665594 0.832798 0.208870 Mn\n0.167204 0.832798 0.208870 Mn\n0.832798 0.167204 0.708870 Mn\n0.334407 0.167204 0.708870 Mn\n0.832798 0.665594 0.708870 Mn\n0.333334 0.666668 0.486816 Co\n0.666668 0.333334 0.986816 Co\n0.337143 0.168572 0.101205 O\n0.666668 0.333334 0.594880 O\n0.955792 0.477896 0.841759 O\n0.522105 0.044209 0.841759 O\n0.168572 0.831430 0.601205 O\n0.831430 0.168572 0.101205 O\n0.477896 0.955792 0.341760 O\n0.000000 0.000000 0.320648 O\n0.662858 0.831430 0.601205 O\n0.000000 0.000000 0.820647 O\n0.522105 0.477896 0.841759 O\n0.333334 0.666668 0.094880 O\n0.477896 0.522105 0.341760 O\n0.168572 0.337143 0.601205 O\n0.044209 0.522105 0.341760 O\n0.831430 0.662858 0.101205 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.903471819914642,
"density_atomic": 0.10074208833065734,
"volume": 238.23210733161304,
"volume_molar": 5.977780349593341,
"formula_full": "Mn6 Co2 O16",
"formula_reduced": "Mn3CoO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.454911718678161,
"spacegroup": 186
},
{
"id": "jvasp-33312",
"created_at": "2022-09-04T14:38:35.381871Z",
"updated_at": "2022-09-04T14:38:35.381905Z",
"structure_string": "B6 H14 C2 O2\n1.0\n7.782414 -0.065746 1.959358\n-1.109224 5.305745 -1.221220\n-0.013989 -0.023699 5.583632\nB H C O\n6 14 2 2\ndirect\n0.638776 0.823674 0.735081 B\n0.769884 0.577350 0.610990 B\n0.762134 0.773141 0.409051 B\n0.355554 0.163989 0.259415 B\n0.224469 0.410331 0.383524 B\n0.232186 0.214509 0.585447 B\n0.326623 0.304206 0.734170 H\n0.130361 0.017306 0.612680 H\n0.127262 0.369071 0.603837 H\n0.313977 0.619734 0.409421 H\n0.116567 0.364926 0.253755 H\n0.452746 0.079395 0.338769 H\n0.444439 0.301704 0.113852 H\n0.863943 0.970355 0.381790 H\n0.867086 0.618622 0.390676 H\n0.680389 0.367936 0.585121 H\n0.877793 0.622783 0.740750 H\n0.541571 0.908240 0.655722 H\n0.549904 0.685946 0.880636 H\n0.667689 0.683415 0.260342 H\n0.748146 0.044657 0.885102 C\n0.246175 0.943022 0.109386 C\n0.162113 0.779465 0.998832 O\n0.832210 0.208223 0.995650 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 0.9741371788378188,
"density_atomic": 0.1042934388501453,
"volume": 230.11994104906785,
"volume_molar": 5.774227819501619,
"formula_full": "B6 H14 C2 O2",
"formula_reduced": "B3H7CO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 4.043854270833334,
"spacegroup": 2
},
{
"id": "jvasp-21542",
"created_at": "2022-09-04T14:38:35.397447Z",
"updated_at": "2022-09-04T14:38:35.397474Z",
"structure_string": "Nd8 Si12 Rh4\n1.0\n4.142351 -7.174763 -0.000000\n4.142351 7.174763 0.000000\n0.000000 -0.000000 8.422604\nNd Si Rh\n8 12 4\ndirect\n-0.000016 0.499992 0.750000 Nd\n0.499992 -0.000016 0.250000 Nd\n0.499992 0.500008 0.250000 Nd\n0.000016 0.500008 0.250000 Nd\n0.500008 0.000016 0.750000 Nd\n0.500008 0.499992 0.750000 Nd\n0.000000 0.000000 0.750000 Nd\n0.000000 0.000000 0.250000 Nd\n0.166933 0.833067 -0.000010 Si\n0.166933 0.833067 0.500010 Si\n0.666132 0.833067 0.500010 Si\n0.666132 0.833067 -0.000010 Si\n0.166933 0.333867 -0.000010 Si\n0.833067 0.666132 0.000010 Si\n0.166933 0.333867 0.500010 Si\n0.333867 0.166933 0.000010 Si\n0.333867 0.166933 0.499990 Si\n0.833067 0.666132 0.499990 Si\n0.833067 0.166933 0.499990 Si\n0.833067 0.166933 0.000010 Si\n0.333333 0.666667 0.500000 Rh\n0.666667 0.333333 0.000000 Rh\n0.333333 0.666667 -0.000000 Rh\n0.666667 0.333333 0.499999 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Rh"
],
"chemical_system": "Nd-Rh-Si",
"density": 6.31047577775076,
"density_atomic": 0.047938054867676924,
"volume": 500.646095596641,
"volume_molar": 12.562338577614117,
"formula_full": "Nd8 Si12 Rh4",
"formula_reduced": "Nd2Si3Rh",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.7323569666666665,
"spacegroup": 191
},
{
"id": "jvasp-24953",
"created_at": "2022-09-04T14:38:30.998225Z",
"updated_at": "2022-09-04T14:38:30.998242Z",
"structure_string": "K4 Na4 Ge4 O12\n1.0\n4.801822 0.000000 0.000000\n0.000000 6.907163 0.000000\n0.000000 0.000000 10.736453\nK Na Ge O\n4 4 4 12\ndirect\n0.525088 0.886002 0.735807 K\n0.525088 0.386002 0.764192 K\n0.025088 0.613997 0.235807 K\n0.025088 0.113997 0.264193 K\n0.539455 0.878533 0.417101 Na\n0.039455 0.621466 0.917101 Na\n0.539455 0.378534 0.082899 Na\n0.039455 0.121466 0.582899 Na\n0.001244 0.131939 0.950278 Ge\n0.501243 0.868061 0.049722 Ge\n0.501243 0.368061 0.450278 Ge\n0.001244 0.631939 0.549721 Ge\n0.057720 0.839388 0.458135 O\n0.122815 0.913602 0.031778 O\n0.557720 0.160612 0.541865 O\n0.568377 0.860450 0.208254 O\n0.622815 0.586397 0.531778 O\n0.122815 0.413602 0.468222 O\n0.068377 0.639549 0.708254 O\n0.622815 0.086397 0.968222 O\n0.057720 0.339388 0.041865 O\n0.557720 0.660612 0.958135 O\n0.568377 0.360450 0.291746 O\n0.068377 0.139550 0.791746 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Na",
"Ge",
"O"
],
"chemical_system": "Ge-K-Na-O",
"density": 3.408344516229646,
"density_atomic": 0.06739763425350732,
"volume": 356.0955850427503,
"volume_molar": 8.93524057142497,
"formula_full": "K4 Na4 Ge4 O12",
"formula_reduced": "KNaGeO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.861230575,
"spacegroup": 33
},
{
"id": "jvasp-59085",
"created_at": "2022-09-04T14:38:36.162002Z",
"updated_at": "2022-09-04T14:38:36.162029Z",
"structure_string": "Ba4 Pd4 Cl16\n1.0\n6.882565 0.000000 0.000000\n0.000000 7.487739 0.000000\n0.000000 0.000000 12.604766\nBa Pd Cl\n4 4 16\ndirect\n0.500000 0.750000 0.147849 Ba\n0.000000 0.250000 0.352152 Ba\n0.500000 0.250000 0.852152 Ba\n0.000000 0.750000 0.647849 Ba\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.705245 0.891965 0.935357 Cl\n0.205244 0.108035 0.564644 Cl\n0.205244 0.608035 0.435357 Cl\n0.705245 0.391965 0.064644 Cl\n0.294756 0.108035 0.064644 Cl\n0.794756 0.891965 0.435357 Cl\n0.890484 0.967820 0.173837 Cl\n0.109517 0.032180 0.826164 Cl\n0.609517 0.467820 0.326164 Cl\n0.109517 0.532180 0.173837 Cl\n0.294756 0.608035 0.935357 Cl\n0.609517 0.967820 0.673837 Cl\n0.390484 0.532180 0.673837 Cl\n0.890484 0.467820 0.826164 Cl\n0.390484 0.032180 0.326164 Cl\n0.794756 0.391965 0.564644 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Cl"
],
"chemical_system": "Ba-Cl-Pd",
"density": 3.9424312342456025,
"density_atomic": 0.036946681318478725,
"volume": 649.5847297656069,
"volume_molar": 16.29954449247936,
"formula_full": "Ba4 Pd4 Cl16",
"formula_reduced": "BaPdCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0726779899999999,
"spacegroup": 60
},
{
"id": "jvasp-49233",
"created_at": "2022-09-04T14:38:35.409167Z",
"updated_at": "2022-09-04T14:38:35.409189Z",
"structure_string": "Na8 Se16\n1.0\n8.567923 0.062027 -3.898978\n-5.035470 7.787809 -1.615318\n0.040106 -0.062027 9.413274\nNa Se\n8 16\ndirect\n0.496175 0.875000 0.871174 Na\n0.003826 0.128825 0.625000 Na\n0.996174 0.621175 0.125000 Na\n0.503826 0.375000 0.378825 Na\n0.500000 0.943354 0.443353 Na\n0.500000 0.556647 0.056647 Na\n0.000000 0.806646 0.806646 Na\n0.000000 0.193353 0.193352 Na\n0.743677 0.723110 0.432981 Se\n0.756323 0.729434 0.939304 Se\n0.243677 0.182982 0.973109 Se\n0.709872 0.020567 0.276890 Se\n0.790128 0.060695 0.817018 Se\n0.209872 0.026890 0.270566 Se\n0.240169 0.018710 0.536600 Se\n0.482110 0.463400 0.703569 Se\n0.740169 0.286600 0.268709 Se\n0.517891 0.221460 0.981290 Se\n0.256323 0.689305 0.979433 Se\n0.017891 0.731290 0.471459 Se\n0.982110 0.453569 0.713399 Se\n0.259831 0.528540 0.546430 Se\n0.759831 0.296431 0.778540 Se\n0.290128 0.567018 0.310695 Se\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 3.8136020360733243,
"density_atomic": 0.03808425884880892,
"volume": 630.1816216321247,
"volume_molar": 15.81267679097382,
"formula_full": "Na8 Se16",
"formula_reduced": "NaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6058016833333334,
"spacegroup": 122
},
{
"id": "jvasp-56567",
"created_at": "2022-09-04T14:38:35.384302Z",
"updated_at": "2022-09-04T14:38:35.384316Z",
"structure_string": "Mo12 Pt8 N4\n1.0\n6.895414 -0.000000 0.000000\n0.000000 6.895414 -0.000000\n-0.000000 0.000000 6.895414\nMo Pt N\n12 8 4\ndirect\n0.625000 0.700564 0.950564 Mo\n0.799435 0.049435 0.125000 Mo\n0.125000 0.799435 0.049435 Mo\n0.299435 0.450564 0.875000 Mo\n0.049435 0.125000 0.799435 Mo\n0.875000 0.299435 0.450564 Mo\n0.950564 0.625000 0.700564 Mo\n0.375000 0.200565 0.549435 Mo\n0.549435 0.375000 0.200565 Mo\n0.700564 0.950564 0.625000 Mo\n0.450564 0.875000 0.299435 Mo\n0.200565 0.549435 0.375000 Mo\n0.943434 0.443434 0.056565 Pt\n0.056565 0.943434 0.443434 Pt\n0.556565 0.556565 0.556565 Pt\n0.693434 0.306565 0.806565 Pt\n0.806565 0.693434 0.306565 Pt\n0.306565 0.806565 0.693434 Pt\n0.193435 0.193435 0.193435 Pt\n0.443434 0.056565 0.943434 Pt\n0.125000 0.375000 0.625000 N\n0.375000 0.625000 0.125000 N\n0.875000 0.875000 0.875000 N\n0.625000 0.125000 0.375000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mo",
"Pt",
"N"
],
"chemical_system": "Mo-N-Pt",
"density": 14.019444901042123,
"density_atomic": 0.0732032230307395,
"volume": 327.8544168734472,
"volume_molar": 8.22660602999841,
"formula_full": "Mo12 Pt8 N4",
"formula_reduced": "Mo3Pt2N",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.175263958333334,
"spacegroup": 213
}
]
}