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{
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"results": [
{
"id": "jvasp-77471",
"created_at": "2022-09-04T14:38:10.127882Z",
"updated_at": "2022-09-04T14:38:10.127910Z",
"structure_string": "Ga1 Sn1 Ru2\n1.0\n-8.586081 0.000000 -4.957176\n-9.083524 0.010182 5.818774\n-5.894668 9.029629 0.295513\nGa Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 -0.000000 0.000000 Sn\n0.754036 -0.000000 0.000000 Ru\n0.245965 -0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
"Ga",
"Sn",
"Ru"
],
"chemical_system": "Ga-Ru-Sn",
"density": 0.7564346826194697,
"density_atomic": 0.004665305728818537,
"volume": 857.3928982384136,
"volume_molar": 129.08351799540208,
"formula_full": "Ga1 Sn1 Ru2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-18226",
"created_at": "2022-09-04T14:38:10.126135Z",
"updated_at": "2022-09-04T14:38:10.126164Z",
"structure_string": "Tb1 Mn2 Ge2\n1.0\n3.719580 -0.000000 -1.285684\n-0.444400 3.692938 -1.285684\n0.023707 0.026730 6.091938\nTb Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500001 Mn\n0.750000 0.250000 0.500001 Mn\n0.620083 0.620083 0.240168 Ge\n0.379918 0.379917 0.759835 Ge\n",
"nsites": 5,
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"elements": [
"Tb",
"Mn",
"Ge"
],
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"density": 8.191975151235686,
"density_atomic": 0.05956947440123385,
"volume": 83.9356071252567,
"volume_molar": 10.109440817687096,
"formula_full": "Tb1 Mn2 Ge2",
"formula_reduced": "Tb(MnGe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-59199",
"created_at": "2022-09-04T14:38:10.121049Z",
"updated_at": "2022-09-04T14:38:10.121076Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.058602 0.000000 0.000000\n0.000000 6.799233 0.000000\n0.000000 0.000000 10.168468\nLi Mn P O\n4 4 4 16\ndirect\n0.317513 0.787135 0.846766 Li\n0.817513 0.287135 0.653235 Li\n0.182486 0.787135 0.346765 Li\n0.682486 0.287135 0.153235 Li\n0.316843 0.286577 0.844908 Mn\n0.816843 0.786576 0.655092 Mn\n0.183156 0.286577 0.344908 Mn\n0.683156 0.786576 0.155092 Mn\n0.820008 0.036800 0.907305 P\n0.320008 0.536800 0.592696 P\n0.679991 0.036800 0.407305 P\n0.179991 0.536800 0.092695 P\n0.375899 0.029612 0.386097 O\n0.247972 0.543492 0.444728 O\n0.752028 0.043493 0.555273 O\n0.786934 0.224606 0.337886 O\n0.195251 0.349951 0.655260 O\n0.213066 0.724606 0.662114 O\n0.713066 0.224606 0.837886 O\n0.875898 0.529612 0.113904 O\n0.747972 0.043493 0.055273 O\n0.252028 0.543492 0.944728 O\n0.286934 0.724606 0.162114 O\n0.304748 0.349951 0.155260 O\n0.804748 0.849951 0.344740 O\n0.124101 0.029612 0.886097 O\n0.695251 0.849951 0.844740 O\n0.624101 0.529612 0.613904 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9788509750931653,
"density_atomic": 0.08005935181852321,
"volume": 349.74052829542995,
"volume_molar": 7.522095324542294,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5454009630541874,
"spacegroup": 33
},
{
"id": "jvasp-37948",
"created_at": "2022-09-04T14:38:10.120644Z",
"updated_at": "2022-09-04T14:38:10.120674Z",
"structure_string": "Ag3 Ge1\n1.0\n4.146254 -0.000000 0.000000\n-0.000000 4.146254 -0.000000\n0.000000 -0.000000 4.146254\nAg Ge\n3 1\ndirect\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge",
"density": 9.230914824855082,
"density_atomic": 0.05611672026627869,
"volume": 71.2800031972584,
"volume_molar": 10.731455315678502,
"formula_full": "Ag3 Ge1",
"formula_reduced": "Ag3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0268669325,
"spacegroup": 221
},
{
"id": "jvasp-55673",
"created_at": "2022-09-04T14:38:10.120203Z",
"updated_at": "2022-09-04T14:38:10.120214Z",
"structure_string": "Na6 In2 Cl12\n1.0\n3.438068 -5.954909 0.000000\n3.438068 5.954909 0.000000\n-0.000000 0.000000 12.414931\nNa In Cl\n6 2 12\ndirect\n0.333333 0.666667 0.038671 Na\n0.333333 0.666667 0.461329 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.666667 0.333333 0.961329 Na\n0.666667 0.333333 0.538671 Na\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.955862 0.640397 0.372577 Cl\n0.359603 0.315466 0.372577 Cl\n0.044138 0.684534 0.872577 Cl\n0.315466 0.359603 0.872577 Cl\n0.640397 0.955862 0.872577 Cl\n0.955862 0.315466 0.127422 Cl\n0.640397 0.684534 0.627422 Cl\n0.684534 0.640397 0.127422 Cl\n0.044138 0.359603 0.627422 Cl\n0.359603 0.044138 0.127422 Cl\n0.315466 0.955862 0.627422 Cl\n0.684534 0.044138 0.372577 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"In",
"Cl"
],
"chemical_system": "Cl-In-Na",
"density": 2.5903843127756887,
"density_atomic": 0.03934287549491477,
"volume": 508.3512516156854,
"volume_molar": 15.306813963759176,
"formula_full": "Na6 In2 Cl12",
"formula_reduced": "Na3InCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 163
},
{
"id": "jvasp-20636",
"created_at": "2022-09-04T14:38:10.114815Z",
"updated_at": "2022-09-04T14:38:10.114841Z",
"structure_string": "Nb1 S1\n1.0\n1.661506 -2.877812 0.000000\n1.661506 2.877812 0.000000\n0.000000 0.000000 3.349339\nNb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.333334 0.666668 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"S"
],
"chemical_system": "Nb-S",
"density": 6.478973860531141,
"density_atomic": 0.062441964843410844,
"volume": 32.02974161712416,
"volume_molar": 9.644380626237586,
"formula_full": "Nb1 S1",
"formula_reduced": "NbS",
"formula_anonymous": "AB",
"energy_above_hull": 1.9781847,
"spacegroup": 187
},
{
"id": "jvasp-44527",
"created_at": "2022-09-04T14:38:10.113543Z",
"updated_at": "2022-09-04T14:38:10.113572Z",
"structure_string": "Li2 Mn3 V1 O8\n1.0\n5.758471 -0.005239 -0.003705\n2.874698 4.989602 -0.003705\n2.874698 1.659708 4.705477\nLi Mn V O\n2 3 1 8\ndirect\n0.122941 0.122941 0.122942 Li\n0.877058 0.877058 0.877061 Li\n-0.000000 0.500000 0.500001 Mn\n0.500000 -0.000000 0.500001 Mn\n0.500000 0.499999 0.000001 Mn\n0.500000 0.499999 0.500001 V\n0.262445 0.262445 0.262446 O\n0.258021 0.258021 0.715996 O\n0.258021 0.715995 0.258022 O\n0.715995 0.258020 0.258022 O\n0.284005 0.741979 0.741981 O\n0.741979 0.284004 0.741981 O\n0.741979 0.741978 0.284006 O\n0.737554 0.737554 0.737557 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.3878774144030555,
"density_atomic": 0.1034417927839553,
"volume": 135.34181517174477,
"volume_molar": 5.821767583415362,
"formula_full": "Li2 Mn3 V1 O8",
"formula_reduced": "Li2Mn3VO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1786667088669955,
"spacegroup": 166
},
{
"id": "jvasp-56718",
"created_at": "2022-09-04T14:38:10.105883Z",
"updated_at": "2022-09-04T14:38:10.105906Z",
"structure_string": "Li1 Cu2 Ge1\n1.0\n3.622696 0.000000 2.091565\n1.207565 3.415511 2.091565\n0.000000 0.000000 4.183129\nLi Cu Ge\n1 2 1\ndirect\n0.500001 0.500000 0.499998 Li\n0.250001 0.250000 0.249999 Cu\n0.750002 0.750000 0.749998 Cu\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Li",
"density": 6.630465253447528,
"density_atomic": 0.07728071896057812,
"volume": 51.7593528347019,
"volume_molar": 7.792552710426997,
"formula_full": "Li1 Cu2 Ge1",
"formula_reduced": "LiCu2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1170267124999999,
"spacegroup": 225
},
{
"id": "jvasp-29712",
"created_at": "2022-09-04T14:38:10.099691Z",
"updated_at": "2022-09-04T14:38:10.099724Z",
"structure_string": "Re6 Se8 Cl2\n1.0\n6.281359 0.000149 2.262758\n-0.095783 6.541639 1.541640\n0.024487 0.007454 8.911710\nRe Se Cl\n6 8 2\ndirect\n0.893054 0.754403 0.536674 Re\n0.840683 0.371144 0.718465 Re\n0.159318 0.628856 0.281535 Re\n0.773897 0.462202 0.430397 Re\n0.106947 0.245597 0.463326 Re\n0.226104 0.537798 0.569603 Re\n0.829703 0.828220 0.262699 Se\n0.170298 0.171779 0.737301 Se\n0.523014 0.593304 0.690962 Se\n0.713005 0.100175 0.608145 Se\n0.286996 0.899825 0.391855 Se\n0.476987 0.406695 0.309038 Se\n0.041576 0.338411 0.189330 Se\n0.958425 0.661589 0.810670 Se\n0.358466 0.791515 0.009620 Cl\n0.641535 0.208484 0.990380 Cl\n",
"nsites": 16,
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"elements": [
"Re",
"Se",
"Cl"
],
"chemical_system": "Cl-Re-Se",
"density": 8.262200983850352,
"density_atomic": 0.0437457934084777,
"volume": 365.7494527667953,
"volume_molar": 13.76621679659133,
"formula_full": "Re6 Se8 Cl2",
"formula_reduced": "Re3Se4Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.7986164417708337,
"spacegroup": 2
},
{
"id": "jvasp-44909",
"created_at": "2022-09-04T14:38:10.089117Z",
"updated_at": "2022-09-04T14:38:10.089144Z",
"structure_string": "Li2 V2 Ga2 O8\n1.0\n2.867909 -5.169447 -0.119313\n2.867909 5.169447 0.119313\n2.867909 1.687537 4.887702\nLi V Ga O\n2 2 2 8\ndirect\n0.120279 0.250000 0.129721 Li\n0.879721 0.750001 0.870279 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.500001 0.499999 V\n0.500000 -0.000000 0.000000 Ga\n0.500000 0.500001 0.500000 Ga\n0.288751 0.019217 0.730466 O\n0.249684 0.519217 0.269533 O\n0.257255 0.524591 0.718155 O\n0.257255 0.975411 0.267335 O\n0.742746 0.024591 0.732664 O\n0.742746 0.475410 0.281844 O\n0.750316 0.480784 0.730466 O\n0.711250 0.980784 0.269533 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"V",
"Ga",
"O"
],
"chemical_system": "Ga-Li-O-V",
"density": 4.426007229631656,
"density_atomic": 0.09737747972543961,
"volume": 143.7704081012741,
"volume_molar": 6.184325962203694,
"formula_full": "Li2 V2 Ga2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-53385",
"created_at": "2022-09-04T14:38:10.084948Z",
"updated_at": "2022-09-04T14:38:10.084972Z",
"structure_string": "Na6 P2 O8\n1.0\n5.459488 -0.041447 -0.000889\n0.045625 5.897588 -0.002931\n0.001048 0.003387 6.838320\nNa P O\n6 2 8\ndirect\n0.506052 0.931391 0.254950 Na\n0.508862 0.400556 -0.000895 Na\n0.006008 0.574539 0.243230 Na\n0.006011 0.574539 0.754956 Na\n0.506038 0.931391 0.743219 Na\n0.008932 0.105361 0.499073 Na\n-0.001376 0.071486 0.999085 P\n0.498627 0.434421 0.499102 P\n0.589083 0.183502 0.499096 O\n0.714135 0.065668 0.999087 O\n0.594151 0.557953 0.686473 O\n0.594165 0.557969 0.311744 O\n0.089013 0.322402 0.999095 O\n0.094202 0.947930 0.186446 O\n0.094178 0.947952 0.811707 O\n0.214140 0.440235 0.499094 O\n",
"nsites": 16,
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"elements": [
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"O"
],
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"density": 2.4726600338504605,
"density_atomic": 0.07266388161108539,
"volume": 220.19192541400218,
"volume_molar": 8.28766730661589,
"formula_full": "Na6 P2 O8",
"formula_reduced": "Na3PO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.2389070625,
"spacegroup": 31
},
{
"id": "jvasp-55675",
"created_at": "2022-09-04T14:38:10.082494Z",
"updated_at": "2022-09-04T14:38:10.082517Z",
"structure_string": "Ba4 Zn4 Cl16\n1.0\n6.540304 -0.000000 0.000000\n0.000000 6.765391 0.000000\n0.000000 0.000000 15.440093\nBa Zn Cl\n4 4 16\ndirect\n0.500000 0.750000 0.629433 Ba\n0.000000 0.250000 0.870567 Ba\n0.500000 0.250000 0.370567 Ba\n0.000000 0.750000 0.129433 Ba\n0.000000 0.750000 0.388880 Zn\n0.500000 0.250000 0.111120 Zn\n0.000000 0.250000 0.611120 Zn\n0.500000 0.750000 0.888880 Zn\n0.743193 0.595157 0.462367 Cl\n0.243194 0.404843 0.037632 Cl\n0.243194 0.904843 0.962367 Cl\n0.743193 0.095157 0.537632 Cl\n0.256806 0.404843 0.537632 Cl\n0.756806 0.595157 0.962367 Cl\n0.862438 0.987125 0.298549 Cl\n0.137562 0.012875 0.701451 Cl\n0.637561 0.487125 0.201451 Cl\n0.137562 0.512875 0.298549 Cl\n0.256806 0.904843 0.462367 Cl\n0.637561 0.987125 0.798549 Cl\n0.362438 0.512875 0.798549 Cl\n0.862438 0.487125 0.701451 Cl\n0.362438 0.012875 0.201451 Cl\n0.756806 0.095157 0.037632 Cl\n",
"nsites": 24,
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"elements": [
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"Zn",
"Cl"
],
"chemical_system": "Ba-Cl-Zn",
"density": 3.3497937939509654,
"density_atomic": 0.03512938066879242,
"volume": 683.1888164006452,
"volume_molar": 17.14274674176034,
"formula_full": "Ba4 Zn4 Cl16",
"formula_reduced": "BaZnCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 60
}
]
}