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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=843",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=841",
"results": [
{
"id": "jvasp-59897",
"created_at": "2022-09-04T14:37:15.535129Z",
"updated_at": "2022-09-04T14:37:15.535154Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n7.023806 0.002119 0.002678\n3.510642 6.200919 -0.000032\n3.508587 1.879520 5.909955\nMg Mn S\n2 4 8\ndirect\n0.000001 -0.000004 0.999998 Mg\n-0.000008 0.500003 0.500015 Mg\n-0.000002 -0.000002 0.500007 Mn\n0.499991 0.000010 0.000010 Mn\n0.499998 0.999996 0.500009 Mn\n0.500003 0.499998 0.499993 Mn\n0.746312 0.225079 0.282211 S\n0.758702 0.238552 0.738483 S\n0.746398 0.782215 0.725086 S\n0.735747 0.761518 0.261457 S\n0.253593 0.217788 0.274938 S\n0.241290 0.761451 0.261525 S\n0.264250 0.238480 0.738554 S\n0.253692 0.774909 0.717795 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.3871947265021713,
"density_atomic": 0.05440731252145944,
"volume": 257.3183520961101,
"volume_molar": 11.0686238318144,
"formula_full": "Mg2 Mn4 S8",
"formula_reduced": "Mg(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.358544790394088,
"spacegroup": 74
},
{
"id": "jvasp-38842",
"created_at": "2022-09-04T14:35:47.700086Z",
"updated_at": "2022-09-04T14:35:47.700107Z",
"structure_string": "Mg1 Mn1 Rh2\n1.0\n0.000001 3.057642 3.057637\n3.057639 0.000003 3.057636\n3.057640 3.057641 0.000002\nMg Mn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mn\n0.000001 0.000000 -0.000000 Rh\n0.500000 0.500003 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Rh"
],
"chemical_system": "Mg-Mn-Rh",
"density": 8.279193588239211,
"density_atomic": 0.06996353156103578,
"volume": 57.17264281478448,
"volume_molar": 8.60754256629587,
"formula_full": "Mg1 Mn1 Rh2",
"formula_reduced": "MgMnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.214833072844828,
"spacegroup": 225
},
{
"id": "jvasp-79431",
"created_at": "2022-09-04T14:36:44.843504Z",
"updated_at": "2022-09-04T14:36:44.843527Z",
"structure_string": "Mg1 Mn1 Pt2\n1.0\n-0.000169 3.132696 3.132684\n3.132606 -0.000048 3.132562\n3.132777 3.132745 -0.000219\nMg Mn Pt\n1 1 2\ndirect\n0.250000 0.249999 0.249999 Mg\n0.749999 0.750000 0.750003 Mn\n0.000000 0.000000 0.999999 Pt\n0.499999 0.500000 0.500004 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Pt"
],
"chemical_system": "Mg-Mn-Pt",
"density": 12.676366161530904,
"density_atomic": 0.06505075855334515,
"volume": 61.49044360058896,
"volume_molar": 9.257602668939699,
"formula_full": "Mg1 Mn1 Pt2",
"formula_reduced": "MgMnPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0121372728448272,
"spacegroup": 225
},
{
"id": "jvasp-109565",
"created_at": "2022-09-04T14:38:28.214713Z",
"updated_at": "2022-09-04T14:38:28.214732Z",
"structure_string": "Mg1 Mn1 Pd2\n1.0\n3.833401 -0.000000 2.213215\n1.277800 3.614165 2.213215\n-0.000000 -0.000000 4.426431\nMg Mn Pd\n1 1 2\ndirect\n0.500000 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750001 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Pd"
],
"chemical_system": "Mg-Mn-Pd",
"density": 7.908780432664344,
"density_atomic": 0.06522499657163945,
"volume": 61.32618183592584,
"volume_molar": 9.232872482232516,
"formula_full": "Mg1 Mn1 Pd2",
"formula_reduced": "MgMnPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5656319228448274,
"spacegroup": 225
},
{
"id": "jvasp-58075",
"created_at": "2022-09-04T14:36:49.384864Z",
"updated_at": "2022-09-04T14:36:49.384902Z",
"structure_string": "Y2 Mg1 Mn2 S2 O5\n1.0\n-3.899011 -0.000054 -0.001046\n-0.000072 -3.939350 -0.001011\n1.947103 1.966597 11.074481\nY Mg Mn S O\n2 1 2 2 5\ndirect\n0.662690 0.663965 0.325498 Y\n0.336971 0.338151 0.673856 Y\n0.998323 0.501063 0.999671 Mg\n0.907819 0.908957 0.815459 Mn\n0.091901 0.093161 0.183890 Mn\n0.795274 0.796440 0.590456 S\n0.204428 0.205662 0.408901 S\n0.396960 0.898154 0.793843 O\n0.602674 0.103972 0.205513 O\n0.907402 0.408728 0.814989 O\n0.091943 0.593399 0.184355 O\n0.999429 0.001057 -0.000331 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Y",
"Mg",
"Mn",
"S",
"O"
],
"chemical_system": "Mg-Mn-O-S-Y",
"density": 4.453135197209114,
"density_atomic": 0.07055358941607291,
"volume": 170.08347979622795,
"volume_molar": 8.535555469029173,
"formula_full": "Y2 Mg1 Mn2 S2 O5",
"formula_reduced": "Y2MgMn2S2O5",
"formula_anonymous": "AB2C2D2E5",
"energy_above_hull": 2.779901827729885,
"spacegroup": 71
},
{
"id": "jvasp-9511",
"created_at": "2022-09-04T14:37:09.123380Z",
"updated_at": "2022-09-04T14:37:09.123408Z",
"structure_string": "Mg2 Mn2 Si2 O10\n1.0\n5.044609 -0.288418 0.110981\n-1.483172 5.169285 -0.047282\n-1.486825 -2.257822 6.219795\nMg Mn Si O\n2 2 2 10\ndirect\n0.356522 0.217855 0.771505 Mg\n0.642545 0.783083 0.241251 Mg\n-0.000481 0.500490 0.506472 Mn\n-0.000464 0.500483 0.006466 Mn\n0.693223 0.822481 0.748228 Si\n0.305834 0.178517 0.264696 Si\n0.699687 0.636157 0.909889 O\n0.983671 0.855418 0.661815 O\n0.299371 0.364850 0.103046 O\n0.015378 0.145560 0.351114 O\n0.593432 0.294640 0.477032 O\n0.300476 0.872673 0.126214 O\n0.405586 0.706356 0.535930 O\n0.698584 0.128327 0.886713 O\n0.888292 0.558942 0.255056 O\n0.110756 0.442015 0.757872 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.883440152341981,
"density_atomic": 0.09987585297465404,
"volume": 160.19888214682277,
"volume_molar": 6.029626361767611,
"formula_full": "Mg2 Mn2 Si2 O10",
"formula_reduced": "MgMnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.389649048922413,
"spacegroup": 2
},
{
"id": "jvasp-21346",
"created_at": "2022-09-04T14:37:09.570254Z",
"updated_at": "2022-09-04T14:37:09.570275Z",
"structure_string": "Mg2 Mn2 Si4 O12\n1.0\n5.244419 0.116516 1.206436\n1.449151 6.608522 0.524786\n0.159013 -0.120432 6.782936\nMg Mn Si O\n2 2 4 12\ndirect\n0.750000 0.240039 0.759962 Mg\n0.250001 0.759961 0.240040 Mg\n0.249998 0.105754 0.894248 Mn\n0.749999 0.894249 0.105754 Mn\n0.230877 0.213803 0.386834 Si\n0.269121 0.613166 0.786198 Si\n0.730877 0.386834 0.213803 Si\n0.769122 0.786198 0.613167 Si\n0.658702 0.968606 0.783219 O\n0.841298 0.216782 0.031395 O\n0.623399 0.617895 0.141800 O\n0.876600 0.858202 0.382107 O\n0.376599 0.382105 0.858201 O\n0.026440 0.622100 0.672804 O\n0.973558 0.377901 0.327197 O\n0.526441 0.672804 0.622102 O\n0.341297 0.031395 0.216783 O\n0.473559 0.327198 0.377900 O\n0.123400 0.141799 0.617895 O\n0.158702 0.783218 0.968607 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.301260801408675,
"density_atomic": 0.08591080337114335,
"volume": 232.7995923120167,
"volume_molar": 7.009759568867893,
"formula_full": "Mg2 Mn2 Si4 O12",
"formula_reduced": "MgMn(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6241974491379305,
"spacegroup": 15
},
{
"id": "jvasp-87910",
"created_at": "2022-09-04T14:37:40.573614Z",
"updated_at": "2022-09-04T14:37:40.573643Z",
"structure_string": "Mg12 Mn8 Si12 O48\n1.0\n9.564288 0.000000 -3.381486\n-4.782145 8.282917 -3.381486\n-0.000000 -0.000000 10.144460\nMg Mn Si O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375001 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.750000 0.125000 0.375000 Mg\n0.750001 0.625000 0.875000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875001 0.750000 0.625000 Mg\n0.625001 0.875000 0.750000 Mg\n0.875002 0.625000 0.250000 Mg\n1.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n1.000000 0.500000 0.999999 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.999999 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.375000 0.625000 0.750000 Si\n0.125001 0.875000 0.250000 Si\n0.625000 0.375000 0.250000 Si\n0.375001 0.250000 0.625000 Si\n0.750001 0.375000 0.625000 Si\n0.125001 0.750000 0.875000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.625001 0.750000 0.375000 Si\n0.250000 0.625000 0.375000 Si\n0.750001 0.875000 0.125000 Si\n0.875000 0.125000 0.749999 Si\n0.191207 0.213459 0.589289 O\n0.786542 0.410710 0.808792 O\n0.022252 0.308793 0.898082 O\n0.124170 0.601919 0.910711 O\n0.213459 0.589290 0.191208 O\n0.213459 0.124170 0.022252 O\n0.589290 0.191208 0.213459 O\n0.601918 0.191208 0.477749 O\n0.713459 0.691208 0.089289 O\n0.910712 0.286542 0.308793 O\n0.808793 0.786542 0.410710 O\n0.101918 0.624169 0.410710 O\n0.691208 0.089289 0.713458 O\n0.089289 0.713458 0.691207 O\n0.977750 0.786542 0.875831 O\n0.808794 0.522252 0.398083 O\n0.410710 0.101918 0.624169 O\n0.398082 0.808793 0.522251 O\n0.875832 0.977749 0.786541 O\n0.624169 0.410710 0.101918 O\n0.101919 0.977749 0.691208 O\n0.398082 0.089289 0.875830 O\n0.089290 0.875832 0.398082 O\n0.522251 0.624169 0.713458 O\n0.624169 0.713458 0.522251 O\n0.691207 0.101918 0.977748 O\n0.522251 0.398082 0.808792 O\n0.308793 0.910711 0.286541 O\n0.410712 0.808793 0.786541 O\n0.286542 0.477749 0.375831 O\n0.022251 0.213459 0.124169 O\n0.191208 0.477749 0.601919 O\n0.589289 0.898082 0.375831 O\n0.124170 0.022252 0.213459 O\n0.477750 0.601919 0.191208 O\n0.375832 0.589290 0.898082 O\n0.898082 0.022252 0.308792 O\n0.786542 0.875832 0.977748 O\n0.601919 0.910711 0.124170 O\n0.477748 0.375830 0.286540 O\n0.375830 0.286542 0.477749 O\n0.308793 0.898082 0.022252 O\n0.286542 0.308793 0.910711 O\n0.713459 0.522252 0.624170 O\n0.977750 0.691208 0.101918 O\n0.875832 0.398082 0.089290 O\n0.910711 0.124170 0.601918 O\n0.898082 0.375830 0.589288 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.793980549079842,
"density_atomic": 0.09954629445638383,
"volume": 803.646187302853,
"volume_molar": 6.049588076468881,
"formula_full": "Mg12 Mn8 Si12 O48",
"formula_reduced": "Mg3Mn2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.666210971637931,
"spacegroup": 230
},
{
"id": "jvasp-11659",
"created_at": "2022-09-04T14:37:10.682452Z",
"updated_at": "2022-09-04T14:37:10.682486Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.725752 0.037179 -0.077782\n-0.067912 5.726232 0.026907\n-2.884436 -2.787234 4.473461\nMg Mn O\n2 4 8\ndirect\n-0.000004 0.000001 0.000002 Mg\n-0.000004 0.500002 0.500003 Mg\n0.499999 -0.000002 0.000004 Mn\n0.499999 0.000000 0.500002 Mn\n-0.000007 -0.000001 0.500001 Mn\n0.499999 0.500003 0.000005 Mn\n0.759227 0.781081 0.058451 O\n0.253992 0.737684 0.970440 O\n0.722627 0.200782 0.441563 O\n0.232744 0.216435 0.470432 O\n0.277367 0.799220 0.558443 O\n0.746003 0.262318 0.029568 O\n0.767250 0.783570 0.529576 O\n0.240766 0.218921 0.941557 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.513876991501531,
"density_atomic": 0.09601557986824433,
"volume": 145.80966983911622,
"volume_molar": 6.272045399573461,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.520073933251231,
"spacegroup": 15
},
{
"id": "jvasp-11543",
"created_at": "2022-09-04T14:37:15.749716Z",
"updated_at": "2022-09-04T14:37:15.749746Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n4.635695 0.032620 -1.387337\n-0.838543 4.983768 -2.684757\n-0.011709 -0.139906 5.843014\nMg Mn O\n2 3 8\ndirect\n0.650236 0.722764 0.445526 Mg\n0.349762 0.277237 0.554472 Mg\n0.500000 0.999999 -0.000001 Mn\n0.999998 0.739298 -0.000001 Mn\n0.999998 0.260703 -0.000001 Mn\n0.071627 0.392604 0.785207 O\n0.928372 0.607395 0.214791 O\n0.091097 0.894772 0.789542 O\n0.908903 0.105227 0.210455 O\n0.398669 0.340312 0.226843 O\n0.398669 0.886531 0.226843 O\n0.601331 0.113467 0.773155 O\n0.601331 0.659687 0.773155 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.257317656481387,
"density_atomic": 0.09762076320338305,
"volume": 133.16839136891204,
"volume_molar": 6.168913827741211,
"formula_full": "Mg2 Mn3 O8",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.6912729095490717,
"spacegroup": 12
},
{
"id": "jvasp-91913",
"created_at": "2022-09-04T14:36:21.682869Z",
"updated_at": "2022-09-04T14:36:21.682888Z",
"structure_string": "Mg3 Mn1 O4\n1.0\n4.299160 0.000000 0.000000\n0.000000 4.299160 -0.000000\n-0.000000 0.000000 4.299160\nMg Mn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.009235211957655,
"density_atomic": 0.10067906227660021,
"volume": 79.46041430164728,
"volume_molar": 5.981522497155463,
"formula_full": "Mg3 Mn1 O4",
"formula_reduced": "Mg3MnO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.3293297989224135,
"spacegroup": 221
},
{
"id": "jvasp-91714",
"created_at": "2022-09-04T14:36:11.470974Z",
"updated_at": "2022-09-04T14:36:11.471008Z",
"structure_string": "Mg2 Mn2 O4\n1.0\n3.016987 0.000173 -0.000035\n-0.000299 5.227101 -0.000350\n0.000060 0.000355 5.311806\nMg Mn O\n2 2 4\ndirect\n0.062562 0.999989 0.500001 Mg\n0.562572 0.500008 0.000002 Mg\n0.562561 0.499991 0.500001 Mn\n0.062580 0.000006 -0.000001 Mn\n0.062568 0.669063 0.768370 O\n0.562567 0.169058 0.731630 O\n0.062568 0.330939 0.231629 O\n0.562567 0.830934 0.268370 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.410326452656356,
"density_atomic": 0.09550221575209035,
"volume": 83.7676899640404,
"volume_molar": 6.305760251293633,
"formula_full": "Mg2 Mn2 O4",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5466633228448277,
"spacegroup": 58
}
]
}